A0A077ZK78_TRITR Loading...

205 kDa Pk1(B+)1+ SICAvar antigen

AlphaFold DB , UniProt , Accession A0A077ZK78, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 304 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
1M36.3Very low47.3Very low238 Ų238134.2 Ų134.2100%1.17272%0.718SS**  01180-70.8172.6174.300104.6D3M1-D3 PolarHBondContact O-N 3.18Å
2S39.2Very low50.7Low122 Ų122128.1 Ų128.185%0.85369%0.691SS**  trans-64.6116.9179.7-171.20000106.3G4S2-G4 VanDerWaalsContact C-N 3.33Å; S2-G4 PolarHBondContact O-N 3.29Å
3D39.4Very low53.9Low148 Ų148118.3 Ų118.379%0.79164%0.638SS**  trans-53.8108.6165.7-78.1-34.2000105.7M1 Q5M1-D3 PolarHBondContact O-N 3.18Å; D3-Q5 PolarHBondContact O-N 3.07Å
4G32.9Very low56.7Low64 Ų64110 Ų11066%0.6659%0.594SS**  trans-64.988.1167.700000105S2 Q6S2-G4 VanDerWaalsContact C-N 3.33Å; S2-G4 PolarHBondContact O-N 3.29Å; G4-Q6 PolarHBondContact O-N 2.82Å
5Q40.2Very low59Low174 Ų174107.1 Ų107.181%0.81358%0.578SS**  trans-53.590.5149.8-71.9-176.9-36.100104.1D3 N7D3-Q5 PolarHBondContact O-N 3.07Å; Q5-N7 PolarHBondContact O-N 3.4Å
6Q39.3Very low61Low171 Ų171100.4 Ų100.480%0.79954%0.542SS*.  trans-6089.5160-69.9-179.623.300102.9G4 T8G4-Q6 PolarHBondContact O-N 2.82Å; Q6-T8 PolarHBondContact O-N 3.39Å; Q6-T8 PolarHBondContact O-OG1 3.06Å
7N41.4Very low62.9Low131 Ų13194.5 Ų94.570%0.70151%0.51SS*.  trans-7366.6172.7-151.926.2000104.2Q5 L9Q5-N7 PolarHBondContact O-N 3.4Å; N7-L9 VanDerWaalsContact C-N 3.26Å; N7-L9 PolarHBondContact O-N 3.34Å
8T47.6Very low64.5Low77 Ų7790.1 Ų90.147%0.47249%0.487SS..  trans-53.2106.715832.50000103.3Q6 H10Q6-T8 PolarHBondContact O-N 3.39Å; Q6-T8 PolarHBondContact O-OG1 3.06Å; T8-H10 WeakPolarHBondContact CB-NE2 3.34Å; T8-H10 PolarHBondContact O-CD2 3.04Å; T8-H10 PolarHBondContact O-N 2.87Å; T8-H10 PolarHBondContact OG1-CD2 3.34Å; T8-H10 PolarHBondContact OG1-CE1 3.28Å; T8-H10 PolarHBondContact OG1-NE2 3.29Å
9L54.1Low65.8Low163 Ų16386.7 Ų86.785%0.85347%0.472SS*.  trans-62.784.2175.6-9593000106.2N7N7-L9 VanDerWaalsContact C-N 3.26Å; N7-L9 PolarHBondContact O-N 3.34Å
10H68.4Low67Low81 Ų8182.7 Ų82.738%0.37545%0.45SS..PPolyproline II helixtrans-71.2142169.8-63.5-62.3000107.1T8 A47T8-H10 WeakPolarHBondContact CB-NE2 3.34Å; T8-H10 PolarHBondContact O-CD2 3.04Å; T8-H10 PolarHBondContact O-N 2.87Å; T8-H10 PolarHBondContact OG1-CD2 3.34Å; T8-H10 PolarHBondContact OG1-CE1 3.28Å; T8-H10 PolarHBondContact OG1-NE2 3.29Å; H10-A47 VanDerWaalsContact CE1-CB 3.43Å; H10-A47 WeakPolarHBondContact CE1-CB 3.45Å; H10-A47 VanDerWaalsContact ND1-CB 3.31Å; H10-A47 WeakPolarHBondContact ND1-CB 3.35Å
11R81.4Confident68.2Low107 Ų10778.9 Ų78.940%0.40443%0.429SS..PPolyproline II helixtrans-56.2140.4171-171.9168.7-168.6-165.4-9.3108.7L13 D15 A16 S46 D50R11-L13 PolarHBondContact O-N 2.91Å; R11-D15 HydrophobicContact CG-CB 3.59Å; R11-D15 VanDerWaalsContact CZ-O 3.26Å; R11-D15 VanDerWaalsContact NE-CB 3.34Å; R11-D15 PolarHBondContact NH2-O 2.78Å; R11-A16 HydrophobicContact CG-CB 4.45Å; R11-S46 PolarHBondContact O-OG 2.73Å; R11-D50 VanDerWaalsContact CB-OD2 3.29Å; R11-D50 WeakPolarHBondContact CB-OD2 3.37Å
12P88.7Confident70.7Confident61 Ų6171 Ų7140%0.39640%0.396SS..PPolyproline II helixtrans-52.1143.3172.8-26.735000110.8A14 D15 A16P12-A14 VanDerWaalsContact C-N 3.26Å; P12-A14 PolarHBondContact O-N 3.18Å; P12-D15 HydrophobicContact CB-CB 4.38Å; P12-D15 WeakPolarHBondContact O-CB 3.48Å; P12-D15 PolarHBondContact O-N 2.68Å; P12-A16 PolarHBondContact O-N 2.97Å
13L92.3Very high73.1Confident1 Ų173.2 Ų73.21%0.00539%0.393CS..Hα-helixtrans-53.3-46.1-176.5172.562.8000111.7R11 D15 A16 V17 W33 F36 E37 A42 F45 F86R11-L13 PolarHBondContact O-N 2.91Å; L13-D15 VanDerWaalsContact C-N 3.25Å; L13-D15 PolarHBondContact O-N 3.28Å; L13-A16 PolarHBondContact O-N 3.24Å; L13-V17 HydrophobicContact CD1-CG2 3.84Å; L13-V17 HydrophobicContact CG-CG2 4.37Å; L13-V17 WeakPolarHBondContact O-CB 3.46Å; L13-V17 VanDerWaalsContact O-CG2 3.26Å; L13-V17 WeakPolarHBondContact O-CG2 3.2Å; L13-V17 PolarHBondContact O-N 2.63Å; L13-W33 HydrophobicContact CD1-CE3 4.1Å; L13-W33 HydrophobicContact CD1-CZ3 4.15Å; L13-W33 HydrophobicContact CD2-CE3 3.83Å; L13-W33 HydrophobicContact CD2-CZ3 4.2Å; L13-W33 HydrophobicContact CG-CE3 3.9Å; L13-W33 HydrophobicContact CG-CZ3 4.38Å; L13-F36 HydrophobicContact CD2-CB 4.13Å; L13-E37 HydrophobicContact CB-CG 4.08Å; L13-A42 HydrophobicContact CD2-CB 3.97Å; L13-F45 HydrophobicContact CD1-CD1 3.59Å; L13-F45 HydrophobicContact CD1-CE1 4.14Å; L13-F86 HydrophobicContact CD2-CE2 4.16Å; L13-F86 HydrophobicContact CD2-CZ 3.79Å
14A93.1Very high75.6Confident2 Ų272.5 Ų72.52%0.01739%0.389CS..Hα-helixtrans-56.6-41.3178.300000112P12 T18 W33 H34 E37P12-A14 VanDerWaalsContact C-N 3.26Å; P12-A14 PolarHBondContact O-N 3.18Å; A14-T18 WeakPolarHBondContact O-CB 3.43Å; A14-T18 PolarHBondContact O-N 3.49Å; A14-T18 PolarHBondContact O-OG1 3Å; A14-W33 HydrophobicContact CB-CB 4.21Å; A14-H34 HydrophobicContact CB-CB 4.32Å; A14-E37 WeakPolarHBondContact CB-OE1 3.47Å
15D91.1Very high78.4Confident66 Ų6673.4 Ų73.435%0.35337%0.374SS..Hα-helixtrans-72.6-40-179-72.6-17.1000112.3R11 P12 L13 T18 A19R11-D15 HydrophobicContact CG-CB 3.59Å; R11-D15 VanDerWaalsContact CZ-O 3.26Å; R11-D15 VanDerWaalsContact NE-CB 3.34Å; R11-D15 PolarHBondContact NH2-O 2.78Å; P12-D15 HydrophobicContact CB-CB 4.38Å; P12-D15 WeakPolarHBondContact O-CB 3.48Å; P12-D15 PolarHBondContact O-N 2.68Å; L13-D15 VanDerWaalsContact C-N 3.25Å; L13-D15 PolarHBondContact O-N 3.28Å; D15-T18 PolarHBondContact O-N 3.14Å; D15-A19 PolarHBondContact O-N 3.48Å; D15-A19 VanDerWaalsContact O-N 3.14Å
16A91.1Very high80.8Confident1 Ų168.2 Ų68.21%0.00835%0.35CS..Hα-helixtrans-64.2-42.1176.400000111.5R11 P12 L13 A19 W20 S46 L49R11-A16 HydrophobicContact CG-CB 4.45Å; P12-A16 PolarHBondContact O-N 2.97Å; L13-A16 PolarHBondContact O-N 3.24Å; A16-A19 WeakPolarHBondContact O-CB 3.17Å; A16-W20 VanDerWaalsContact O-CD1 3.22Å; A16-S46 WeakPolarHBondContact CB-OG 3.29Å; A16-L49 HydrophobicContact CB-CB 4.33Å
17V93Very high83.4Confident0 Ų064.4 Ų64.40%034%0.343CS..Hα-helixtrans-66.7-49.1175.6172.80000110.7L13 A19 W20 F21 V29 W33 L49 L72L13-V17 HydrophobicContact CD1-CG2 3.84Å; L13-V17 HydrophobicContact CG-CG2 4.37Å; L13-V17 WeakPolarHBondContact O-CB 3.46Å; L13-V17 VanDerWaalsContact O-CG2 3.26Å; L13-V17 WeakPolarHBondContact O-CG2 3.2Å; L13-V17 PolarHBondContact O-N 2.63Å; V17-A19 PolarHBondContact O-N 3.27Å; V17-A19 VanDerWaalsContact O-N 3.11Å; V17-W20 WeakPolarHBondContact O-CB 3.38Å; V17-W20 PolarHBondContact O-N 3.03Å; V17-F21 HydrophobicContact CG1-CD2 4.37Å; V17-F21 HydrophobicContact CG1-CE2 3.85Å; V17-F21 WeakPolarHBondContact O-CD2 3.46Å; V17-V29 HydrophobicContact CG1-CG1 3.59Å; V17-W33 HydrophobicContact CB-CD2 4.12Å; V17-W33 HydrophobicContact CB-CE3 4.49Å; V17-W33 HydrophobicContact CB-CG 4.15Å; V17-W33 HydrophobicContact CG1-CD2 3.75Å; V17-W33 HydrophobicContact CG1-CE3 4.49Å; V17-W33 HydrophobicContact CG1-CG 3.77Å; V17-W33 HydrophobicContact CG1-CZ2 4.14Å; V17-W33 HydrophobicContact CG2-CD2 3.71Å; V17-W33 HydrophobicContact CG2-CE3 3.62Å; V17-W33 HydrophobicContact CG2-CG 4.22Å; V17-W33 HydrophobicContact CG2-CH2 4.23Å; V17-W33 HydrophobicContact CG2-CZ2 4.35Å; V17-W33 HydrophobicContact CG2-CZ3 3.88Å; V17-L49 HydrophobicContact CG2-CD1 3.52Å; V17-L72 HydrophobicContact CG1-CD1 4.12Å; V17-L72 HydrophobicContact CG1-CD2 4.49Å; V17-L72 HydrophobicContact CG2-CD2 4.29Å
18T91.9Very high85.8Confident14 Ų1463 Ų639%0.08634%0.335CS..Hα-helixtrans-56.1-33.3-178.1-65.50000111.7A14 D15 W20 F21 Q26 S30A14-T18 WeakPolarHBondContact O-CB 3.43Å; A14-T18 PolarHBondContact O-N 3.49Å; A14-T18 PolarHBondContact O-OG1 3Å; D15-T18 PolarHBondContact O-N 3.14Å; T18-W20 PolarHBondContact O-N 3.31Å; T18-W20 VanDerWaalsContact O-N 3.11Å; T18-F21 PolarHBondContact O-N 3.41Å; T18-Q26 HydrophobicContact CG2-CB 3.4Å; T18-Q26 HydrophobicContact CG2-CG 3.45Å; T18-Q26 VanDerWaalsContact CG2-CG 3.45Å; T18-S30 WeakPolarHBondContact OG1-CA 3.49Å; T18-S30 WeakPolarHBondContact OG1-CB 3.31Å; T18-S30 PolarHBondContact OG1-N 3.26Å
19A89.3Confident88Confident26 Ų2660 Ų6022%0.21532%0.317CS..THydrogen-bonded Turntrans-62.1-16.3177.400000114.6D15 A16 V17 R65D15-A19 PolarHBondContact O-N 3.48Å; D15-A19 VanDerWaalsContact O-N 3.14Å; A16-A19 WeakPolarHBondContact O-CB 3.17Å; V17-A19 PolarHBondContact O-N 3.27Å; V17-A19 VanDerWaalsContact O-N 3.11Å; A19-R65 PolarHBondContact O-NH2 3.18Å
20W90.5Very high89.9Confident7 Ų754.1 Ų54.13%0.02729%0.289CS..THydrogen-bonded Turntrans-85.5-21.6174.7-69.397000113.5A16 V17 T18 L49 L52 S53 F64 R65 V68 L72A16-W20 VanDerWaalsContact O-CD1 3.22Å; V17-W20 WeakPolarHBondContact O-CB 3.38Å; V17-W20 PolarHBondContact O-N 3.03Å; T18-W20 PolarHBondContact O-N 3.31Å; T18-W20 VanDerWaalsContact O-N 3.11Å; W20-L49 WeakPolarHBondContact CZ2-O 3.33Å; W20-L52 HydrophobicContact CH2-CB 4.38Å; W20-L52 HydrophobicContact CH2-CD2 4.27Å; W20-L52 HydrophobicContact CH2-CG 4.01Å; W20-L52 HydrophobicContact CZ2-CB 3.99Å; W20-L52 HydrophobicContact CZ2-CD2 4.11Å; W20-L52 HydrophobicContact CZ2-CG 4.03Å; W20-S53 VanDerWaalsContact CZ2-CB 3.41Å; W20-F64 HydrophobicContact CH2-CD1 4.43Å; W20-F64 HydrophobicContact CH2-CE1 4.01Å; W20-F64 HydrophobicContact CZ3-CD1 4.18Å; W20-F64 HydrophobicContact CZ3-CE1 4.17Å; W20-R65 HydrophobicContact CE3-CB 4.22Å; W20-R65 HydrophobicContact CE3-CG 3.97Å; W20-R65 HydrophobicContact CZ3-CG 3.93Å; W20-V68 HydrophobicContact CD2-CB 4.14Å; W20-V68 HydrophobicContact CD2-CG1 3.56Å; W20-V68 HydrophobicContact CE3-CB 3.77Å; W20-V68 HydrophobicContact CE3-CG1 3.72Å; W20-V68 HydrophobicContact CE3-CG2 4.26Å; W20-V68 HydrophobicContact CG-CG1 3.95Å; W20-V68 HydrophobicContact CH2-CG1 4.37Å; W20-V68 HydrophobicContact CH2-CG2 4.3Å; W20-V68 HydrophobicContact CZ2-CG1 4.23Å; W20-V68 HydrophobicContact CZ3-CB 4.02Å; W20-V68 HydrophobicContact CZ3-CG1 4.13Å; W20-V68 HydrophobicContact CZ3-CG2 3.98Å; W20-L72 HydrophobicContact CB-CD1 4.04Å; W20-L72 HydrophobicContact CG-CD1 4.02Å
21F91.2Very high91.1Very high3 Ų357.2 Ų57.21%0.01330%0.304CS..SBendtrans-93.9151.2-173.6-71.9-97000112.7V17 T18 K25 Q26 V29 A69 L72 E73V17-F21 HydrophobicContact CG1-CD2 4.37Å; V17-F21 HydrophobicContact CG1-CE2 3.85Å; V17-F21 WeakPolarHBondContact O-CD2 3.46Å; T18-F21 PolarHBondContact O-N 3.41Å; F21-K25 HydrophobicContact CB-CB 4.34Å; F21-K25 HydrophobicContact CD1-CB 4.35Å; F21-K25 HydrophobicContact CD1-CD 4.13Å; F21-Q26 PolarHBondContact O-NE2 3.14Å; F21-V29 HydrophobicContact CB-CG2 4.36Å; F21-V29 HydrophobicContact CD1-CG2 3.73Å; F21-V29 HydrophobicContact CD2-CB 4.38Å; F21-V29 HydrophobicContact CD2-CG1 3.7Å; F21-V29 HydrophobicContact CD2-CG2 4.02Å; F21-V29 HydrophobicContact CE1-CG2 3.93Å; F21-V29 HydrophobicContact CE2-CG1 3.82Å; F21-V29 HydrophobicContact CE2-CG2 4.22Å; F21-V29 HydrophobicContact CG-CB 4.45Å; F21-V29 HydrophobicContact CG-CG1 4.25Å; F21-V29 HydrophobicContact CG-CG2 3.77Å; F21-V29 HydrophobicContact CZ-CG1 4.45Å; F21-V29 HydrophobicContact CZ-CG2 4.18Å; F21-A69 HydrophobicContact CD1-CB 4.07Å; F21-A69 HydrophobicContact CD2-CB 4.5Å; F21-A69 HydrophobicContact CE1-CB 3.82Å; F21-A69 HydrophobicContact CE2-CB 4.27Å; F21-A69 HydrophobicContact CG-CB 4.41Å; F21-A69 HydrophobicContact CZ-CB 3.94Å; F21-A69 WeakPolarHBondContact CZ-O 3.15Å; F21-L72 HydrophobicContact CE2-CB 4.02Å; F21-L72 HydrophobicContact CE2-CD1 4.03Å; F21-L72 HydrophobicContact CZ-CB 3.99Å; F21-E73 HydrophobicContact CE1-CG 3.66Å; F21-E73 HydrophobicContact CZ-CG 3.89Å
22P89Confident91.8Very high73 Ų7355.9 Ų55.947%0.47430%0.304SS..  trans-65.4150.5172.129.9-36.1000110.9N24 K25 Q26P22-N24 WeakPolarHBondContact CB-OD1 3.26Å; P22-N24 VanDerWaalsContact CG-OD1 3.3Å; P22-N24 WeakPolarHBondContact CG-OD1 3.48Å; P22-N24 PolarHBondContact O-N 2.97Å; P22-K25 HydrophobicContact CG-CB 4.44Å; P22-K25 HydrophobicContact CG-CD 4.35Å; P22-K25 HydrophobicContact CG-CG 4.4Å; P22-K25 PolarHBondContact O-N 3.3Å; P22-Q26 WeakPolarHBondContact O-CG 3.48Å; P22-Q26 PolarHBondContact O-N 2.61Å
23E88.8Confident92.1Very high168 Ų16853.1 Ų53.179%0.78529%0.285SS*.Hα-helixtrans-48.8-36.7-173-67.9-179.8178.400113.9K25 Q26E23-K25 VanDerWaalsContact C-N 3.27Å; E23-K25 PolarHBondContact O-N 2.9Å; E23-Q26 PolarHBondContact O-N 2.94Å
24N91.8Very high92.2Very high132 Ų13258.3 Ų58.371%0.70631%0.309SS*.Hα-helixtrans-68.5-18.8-179.569.7-48000114.8P22P22-N24 WeakPolarHBondContact CB-OD1 3.26Å; P22-N24 VanDerWaalsContact CG-OD1 3.3Å; P22-N24 WeakPolarHBondContact CG-OD1 3.48Å; P22-N24 PolarHBondContact O-N 2.97Å
25K91.5Very high92.2Very high83 Ų8361.8 Ų61.836%0.36134%0.338SS..Hα-helixtrans-102.8-10.2176.3-72.9-173.1169.5-1720113F21 P22 E23 S27 D28 V29 E73F21-K25 HydrophobicContact CB-CB 4.34Å; F21-K25 HydrophobicContact CD1-CB 4.35Å; F21-K25 HydrophobicContact CD1-CD 4.13Å; P22-K25 HydrophobicContact CG-CB 4.44Å; P22-K25 HydrophobicContact CG-CD 4.35Å; P22-K25 HydrophobicContact CG-CG 4.4Å; P22-K25 PolarHBondContact O-N 3.3Å; E23-K25 VanDerWaalsContact C-N 3.27Å; E23-K25 PolarHBondContact O-N 2.9Å; K25-S27 PolarHBondContact O-N 3.11Å; K25-D28 PolarHBondContact O-N 3.49Å; K25-V29 HydrophobicContact CB-CG2 4.38Å; K25-V29 WeakPolarHBondContact O-CB 3.37Å; K25-V29 VanDerWaalsContact O-CG2 3.27Å; K25-V29 WeakPolarHBondContact O-CG2 3.48Å; K25-V29 PolarHBondContact O-N 2.62Å; K25-E73 IonicContact NZ-OE1 2.74Å; K25-E73 PolarHBondContact NZ-OE1 3.37Å
26Q92.2Very high92.4Very high66 Ų6660 Ų6031%0.30833%0.327SS..Hα-helixtrans-62.3-39.6-168.4-76.5-175.9-1.500113.5T18 F21 P22 E23 S30T18-Q26 HydrophobicContact CG2-CB 3.4Å; T18-Q26 HydrophobicContact CG2-CG 3.45Å; T18-Q26 VanDerWaalsContact CG2-CG 3.45Å; F21-Q26 PolarHBondContact O-NE2 3.14Å; P22-Q26 WeakPolarHBondContact O-CG 3.48Å; P22-Q26 PolarHBondContact O-N 2.61Å; E23-Q26 PolarHBondContact O-N 2.94Å; Q26-S30 WeakPolarHBondContact O-CB 3.27Å; Q26-S30 PolarHBondContact O-N 3.11Å
27S92.3Very high92.4Very high91 Ų9162.1 Ų62.164%0.63634%0.337SS*.Hα-helixtrans-62.2-47.9179.2-172.70000112.1K25 S30 Q31K25-S27 PolarHBondContact O-N 3.11Å; S27-S30 PolarHBondContact O-N 3.47Å; S27-Q31 PolarHBondContact O-N 2.93Å
28D92.9Very high92.3Very high102 Ų10270.4 Ų70.455%0.54538%0.375SS..Hα-helixtrans-67.1-42.8-178.2-62.6-19000110.9K25 Q31 I32K25-D28 PolarHBondContact O-N 3.49Å; D28-Q31 PolarHBondContact O-N 3.41Å; D28-I32 VanDerWaalsContact O-CG1 3.31Å; D28-I32 WeakPolarHBondContact O-CG1 3.3Å; D28-I32 PolarHBondContact O-N 3.46Å
29V94.1Very high92.4Very high13 Ų1372.5 Ų72.58%0.07938%0.384CS..Hα-helixtrans-62.6-47.2177171.80000110.8V17 F21 K25 Q31 I32 W33V17-V29 HydrophobicContact CG1-CG1 3.59Å; F21-V29 HydrophobicContact CB-CG2 4.36Å; F21-V29 HydrophobicContact CD1-CG2 3.73Å; F21-V29 HydrophobicContact CD2-CB 4.38Å; F21-V29 HydrophobicContact CD2-CG1 3.7Å; F21-V29 HydrophobicContact CD2-CG2 4.02Å; F21-V29 HydrophobicContact CE1-CG2 3.93Å; F21-V29 HydrophobicContact CE2-CG1 3.82Å; F21-V29 HydrophobicContact CE2-CG2 4.22Å; F21-V29 HydrophobicContact CG-CB 4.45Å; F21-V29 HydrophobicContact CG-CG1 4.25Å; F21-V29 HydrophobicContact CG-CG2 3.77Å; F21-V29 HydrophobicContact CZ-CG1 4.45Å; F21-V29 HydrophobicContact CZ-CG2 4.18Å; K25-V29 HydrophobicContact CB-CG2 4.38Å; K25-V29 WeakPolarHBondContact O-CB 3.37Å; K25-V29 VanDerWaalsContact O-CG2 3.27Å; K25-V29 WeakPolarHBondContact O-CG2 3.48Å; K25-V29 PolarHBondContact O-N 2.62Å; V29-Q31 VanDerWaalsContact C-N 3.32Å; V29-Q31 PolarHBondContact O-N 2.96Å; V29-I32 PolarHBondContact O-N 3.05Å; V29-W33 WeakPolarHBondContact O-CB 3.34Å; V29-W33 VanDerWaalsContact O-CD1 3.24Å; V29-W33 PolarHBondContact O-N 3.46Å
30S93.9Very high92.6Very high39 Ų3977.6 Ų77.627%0.27340%0.403SS..Hα-helixtrans-57.5-45.9177.7-179.90000111.2T18 Q26 S27 I32 W33 H34T18-S30 WeakPolarHBondContact OG1-CA 3.49Å; T18-S30 WeakPolarHBondContact OG1-CB 3.31Å; T18-S30 PolarHBondContact OG1-N 3.26Å; Q26-S30 WeakPolarHBondContact O-CB 3.27Å; Q26-S30 PolarHBondContact O-N 3.11Å; S27-S30 PolarHBondContact O-N 3.47Å; S30-I32 PolarHBondContact O-N 3.27Å; S30-W33 PolarHBondContact O-N 3.46Å; S30-H34 WeakPolarHBondContact O-CB 3.43Å; S30-H34 PolarHBondContact O-N 3Å
31Q94.3Very high92.6Very high147 Ų14780.7 Ų80.769%0.68742%0.418SS*.Hα-helixtrans-61.8-44.1178.4-176.6179.1-5.800112.7S27 D28 V29S27-Q31 PolarHBondContact O-N 2.93Å; D28-Q31 PolarHBondContact O-N 3.41Å; V29-Q31 VanDerWaalsContact C-N 3.32Å; V29-Q31 PolarHBondContact O-N 2.96Å
32I94.5Very high92.6Very high78 Ų7880.6 Ų80.640%0.442%0.418SS..Hα-helixtrans-63.6-48.7179.2-69.9165.4000110.3D28 V29 S30 H34 A35 F36D28-I32 VanDerWaalsContact O-CG1 3.31Å; D28-I32 WeakPolarHBondContact O-CG1 3.3Å; D28-I32 PolarHBondContact O-N 3.46Å; V29-I32 PolarHBondContact O-N 3.05Å; S30-I32 PolarHBondContact O-N 3.27Å; I32-H34 VanDerWaalsContact C-N 3.35Å; I32-H34 PolarHBondContact O-N 2.89Å; I32-A35 WeakPolarHBondContact O-CB 3.42Å; I32-A35 PolarHBondContact O-N 3.07Å; I32-F36 HydrophobicContact CG2-CE2 3.69Å; I32-F36 HydrophobicContact CG2-CZ 4.09Å
33W95.8Very high92.6Very high3 Ų382 Ų821%0.01142%0.421CS..Hα-helixtrans-77.9-19.7-172.9-7783.6000113.9L13 A14 V17 V29 S30 A35 F36 E37 F45 L72 L75 F86L13-W33 HydrophobicContact CD1-CE3 4.1Å; L13-W33 HydrophobicContact CD1-CZ3 4.15Å; L13-W33 HydrophobicContact CD2-CE3 3.83Å; L13-W33 HydrophobicContact CD2-CZ3 4.2Å; L13-W33 HydrophobicContact CG-CE3 3.9Å; L13-W33 HydrophobicContact CG-CZ3 4.38Å; A14-W33 HydrophobicContact CB-CB 4.21Å; V17-W33 HydrophobicContact CB-CD2 4.12Å; V17-W33 HydrophobicContact CB-CE3 4.49Å; V17-W33 HydrophobicContact CB-CG 4.15Å; V17-W33 HydrophobicContact CG1-CD2 3.75Å; V17-W33 HydrophobicContact CG1-CE3 4.49Å; V17-W33 HydrophobicContact CG1-CG 3.77Å; V17-W33 HydrophobicContact CG1-CZ2 4.14Å; V17-W33 HydrophobicContact CG2-CD2 3.71Å; V17-W33 HydrophobicContact CG2-CE3 3.62Å; V17-W33 HydrophobicContact CG2-CG 4.22Å; V17-W33 HydrophobicContact CG2-CH2 4.23Å; V17-W33 HydrophobicContact CG2-CZ2 4.35Å; V17-W33 HydrophobicContact CG2-CZ3 3.88Å; V29-W33 WeakPolarHBondContact O-CB 3.34Å; V29-W33 VanDerWaalsContact O-CD1 3.24Å; V29-W33 PolarHBondContact O-N 3.46Å; S30-W33 PolarHBondContact O-N 3.46Å; W33-A35 PolarHBondContact O-N 3.04Å; W33-F36 HydrophobicContact CD2-CD2 4.03Å; W33-F36 AromaticContact CE3-CD2 3.93Å; W33-F36 HydrophobicContact CE3-CD2 3.93Å; W33-F36 HydrophobicContact CG-CD2 4.34Å; W33-F36 PolarHBondContact O-N 3.17Å; W33-E37 PolarHBondContact O-N 2.73Å; W33-F45 HydrophobicContact CH2-CE1 4.11Å; W33-F45 AromaticContact CZ3-CE1 3.96Å; W33-F45 HydrophobicContact CZ3-CE1 3.96Å; W33-L72 HydrophobicContact CH2-CD2 3.73Å; W33-L72 HydrophobicContact CZ2-CB 4.09Å; W33-L72 HydrophobicContact CZ2-CD2 3.81Å; W33-L72 WeakPolarHBondContact CZ2-O 3.38Å; W33-L75 HydrophobicContact CH2-CB 3.93Å; W33-L75 HydrophobicContact CH2-CD2 4.26Å; W33-L75 HydrophobicContact CZ2-CB 4.15Å; W33-F86 HydrophobicContact CZ3-CE1 4.06Å; W33-F86 AromaticContact CZ3-CZ 3.91Å; W33-F86 HydrophobicContact CZ3-CZ 3.91Å
34H94Very high92.6Very high111 Ų11175.8 Ų75.851%0.51440%0.395SS..Hα-helixtrans-59.4-32.5169.4-167.862.5000111.8A14 S30 I32 F36 E37A14-H34 HydrophobicContact CB-CB 4.32Å; S30-H34 WeakPolarHBondContact O-CB 3.43Å; S30-H34 PolarHBondContact O-N 3Å; I32-H34 VanDerWaalsContact C-N 3.35Å; I32-H34 PolarHBondContact O-N 2.89Å; H34-F36 PolarHBondContact O-N 2.87Å; H34-E37 IonicContact CE1-OE1 3.18Å; H34-E37 IonicContact CE1-OE2 3.48Å; H34-E37 PolarHBondContact CE1-OE2 3.43Å; H34-E37 IonicContact CG-OE1 3.69Å; H34-E37 IonicContact ND1-OE1 3.07Å; H34-E37 PolarHBondContact ND1-OE1 3.41Å; H34-E37 IonicContact ND1-OE2 2.99Å; H34-E37 PolarHBondContact ND1-OE2 2.79Å; H34-E37 PolarHBondContact O-N 3.4Å
35A93.6Very high92.6Very high74 Ų7469.5 Ų69.561%0.61236%0.361SS*.THydrogen-bonded Turntrans-66.9-20.1176.100000113.5I32 W33I32-A35 WeakPolarHBondContact O-CB 3.42Å; I32-A35 PolarHBondContact O-N 3.07Å; W33-A35 PolarHBondContact O-N 3.04Å
36F95Very high92.5Very high29 Ų2965.5 Ų65.513%0.12734%0.344CS..THydrogen-bonded Turntrans-101.60.4-176.6-49.1-38.6000113.2L13 I32 W33 H34 H38 E39L13-F36 HydrophobicContact CD2-CB 4.13Å; I32-F36 HydrophobicContact CG2-CE2 3.69Å; I32-F36 HydrophobicContact CG2-CZ 4.09Å; W33-F36 HydrophobicContact CD2-CD2 4.03Å; W33-F36 AromaticContact CE3-CD2 3.93Å; W33-F36 HydrophobicContact CE3-CD2 3.93Å; W33-F36 HydrophobicContact CG-CD2 4.34Å; W33-F36 PolarHBondContact O-N 3.17Å; H34-F36 PolarHBondContact O-N 2.87Å; F36-H38 PolarHBondContact O-N 2.74Å; F36-H38 VanDerWaalsContact O-N 3.14Å; F36-E39 HydrophobicContact CB-CG 4.38Å; F36-E39 WeakPolarHBondContact CD1-OE1 3.44Å; F36-E39 WeakPolarHBondContact O-CB 3.31Å; F36-E39 PolarHBondContact O-N 3.44Å; F36-E39 VanDerWaalsContact O-N 3.12Å
37E91.2Very high92.3Very high45 Ų4563 Ų6321%0.2133%0.334CS..THydrogen-bonded Turntrans-60.1-26-176.4-81177.8-171.100114.4L13 A14 W33 H34 A42L13-E37 HydrophobicContact CB-CG 4.08Å; A14-E37 WeakPolarHBondContact CB-OE1 3.47Å; W33-E37 PolarHBondContact O-N 2.73Å; H34-E37 IonicContact CE1-OE1 3.18Å; H34-E37 IonicContact CE1-OE2 3.48Å; H34-E37 PolarHBondContact CE1-OE2 3.43Å; H34-E37 IonicContact CG-OE1 3.69Å; H34-E37 IonicContact ND1-OE1 3.07Å; H34-E37 PolarHBondContact ND1-OE1 3.41Å; H34-E37 IonicContact ND1-OE2 2.99Å; H34-E37 PolarHBondContact ND1-OE2 2.79Å; H34-E37 PolarHBondContact O-N 3.4Å; E37-A42 WeakPolarHBondContact O-CB 3.31Å
38H90.8Very high92.1Very high175 Ų17559 Ų5981%0.8131%0.306SS*.THydrogen-bonded Turntrans-99.14.8-177.8-58.893.5000113.2F36F36-H38 PolarHBondContact O-N 2.74Å; F36-H38 VanDerWaalsContact O-N 3.14Å
39E93.4Very high92Very high57 Ų5754.2 Ų54.227%0.26628%0.28SS..SBendtrans-69.9153.4174.6-67.2-175.5-179.900111F36 H41 A42 R82 F86F36-E39 HydrophobicContact CB-CG 4.38Å; F36-E39 WeakPolarHBondContact CD1-OE1 3.44Å; F36-E39 WeakPolarHBondContact O-CB 3.31Å; F36-E39 PolarHBondContact O-N 3.44Å; F36-E39 VanDerWaalsContact O-N 3.12Å; E39-H41 PolarHBondContact O-N 3.09Å; E39-A42 WeakPolarHBondContact O-CB 3.46Å; E39-A42 PolarHBondContact O-N 3.31Å; E39-A42 VanDerWaalsContact O-N 3.12Å; E39-R82 VanDerWaalsContact CD-NE 3.3Å; E39-R82 IonicContact OE1-CZ 3.48Å; E39-R82 IonicContact OE1-NE 3.6Å; E39-R82 PolarHBondContact OE1-NE 2.97Å; E39-R82 VanDerWaalsContact OE1-NE 3.11Å; E39-R82 IonicContact OE1-NH2 3.64Å; E39-R82 PolarHBondContact OE1-NH2 3.35Å; E39-R82 WeakPolarHBondContact OE2-CD 3.47Å; E39-R82 IonicContact OE2-CZ 3.28Å; E39-R82 IonicContact OE2-NE 2.88Å; E39-R82 PolarHBondContact OE2-NE 3.48Å; E39-R82 IonicContact OE2-NH2 2.79Å; E39-F86 HydrophobicContact CB-CD2 4.22Å; E39-F86 HydrophobicContact CB-CE2 3.97Å
40E93.1Very high91.6Very high133 Ų13355.6 Ų55.662%0.62129%0.287SS*.THydrogen-bonded Turntrans-58.6133.6-179.3-166.1177.7-172.800110.8A42 F86E40-A42 PolarHBondContact O-N 3.05Å; E40-F86 WeakPolarHBondContact O-CD2 3.16Å
41H91.4Very high91Very high72 Ų7257.7 Ų57.733%0.33329%0.289SS..THydrogen-bonded Turntrans62.111.5-176-49.3-63000116.7E39 N43 T44 F45 F86 A90E39-H41 PolarHBondContact O-N 3.09Å; H41-N43 VanDerWaalsContact C-N 3.28Å; H41-N43 PolarHBondContact O-N 2.93Å; H41-T44 PolarHBondContact O-N 2.92Å; H41-T44 VanDerWaalsContact O-N 3.09Å; H41-F45 PolarHBondContact O-N 3.03Å; H41-F86 HydrophobicContact CB-CB 4.08Å; H41-A90 HydrophobicContact CB-CB 3.93Å; H41-A90 WeakPolarHBondContact ND1-CB 3.5Å
42A90.7Very high90.6Very high2 Ų250.7 Ų50.72%0.01726%0.256CS..Hα-helixtrans-53.4-41.617600000113.4L13 E37 E39 E40 F45 S46 F86L13-A42 HydrophobicContact CD2-CB 3.97Å; E37-A42 WeakPolarHBondContact O-CB 3.31Å; E39-A42 WeakPolarHBondContact O-CB 3.46Å; E39-A42 PolarHBondContact O-N 3.31Å; E39-A42 VanDerWaalsContact O-N 3.12Å; E40-A42 PolarHBondContact O-N 3.05Å; A42-F45 PolarHBondContact O-N 3.2Å; A42-S46 WeakPolarHBondContact O-CB 3.48Å; A42-S46 PolarHBondContact O-N 3.4Å; A42-F86 HydrophobicContact CB-CD2 4.33Å; A42-F86 HydrophobicContact CB-CE2 3.98Å
43N89.9Confident89.9Confident101 Ų10148 Ų4854%0.5424%0.244SC..Hα-helixtrans-65.5-40.6178.1-68.7-25.7000112.4H41 F45 S46 A47H41-N43 VanDerWaalsContact C-N 3.28Å; H41-N43 PolarHBondContact O-N 2.93Å; N43-F45 VanDerWaalsContact C-N 3.35Å; N43-S46 WeakPolarHBondContact O-CB 3.48Å; N43-S46 PolarHBondContact O-N 3.31Å; N43-A47 PolarHBondContact O-N 3.22Å
44T88.6Confident88.7Confident38 Ų3852.4 Ų52.423%0.23327%0.268CS..Hα-helixtrans-67.4-39.9178.6-48.10000111.1H41 A47 F48 A90 T93H41-T44 PolarHBondContact O-N 2.92Å; H41-T44 VanDerWaalsContact O-N 3.09Å; T44-A47 WeakPolarHBondContact O-CB 3.35Å; T44-A47 PolarHBondContact O-N 3.19Å; T44-F48 PolarHBondContact O-N 3.24Å; T44-A90 HydrophobicContact CG2-CB 4.28Å; T44-T93 HydrophobicContact CG2-CG2 3.57Å; T44-T93 WeakPolarHBondContact CG2-OG1 3.41Å
45F91.6Very high87.3Confident0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-64.5-41.1172.9-176.7-108.5000112.5L13 W33 H41 A42 N43 A47 F48 L49 W71 L72 L75 F86 A89 L107L13-F45 HydrophobicContact CD1-CD1 3.59Å; L13-F45 HydrophobicContact CD1-CE1 4.14Å; W33-F45 HydrophobicContact CH2-CE1 4.11Å; W33-F45 AromaticContact CZ3-CE1 3.96Å; W33-F45 HydrophobicContact CZ3-CE1 3.96Å; H41-F45 PolarHBondContact O-N 3.03Å; A42-F45 PolarHBondContact O-N 3.2Å; N43-F45 VanDerWaalsContact C-N 3.35Å; F45-A47 PolarHBondContact O-N 3.39Å; F45-F48 HydrophobicContact CD2-CD1 4.44Å; F45-F48 HydrophobicContact CE2-CD1 4.38Å; F45-F48 WeakPolarHBondContact O-CB 3.48Å; F45-F48 PolarHBondContact O-N 3.42Å; F45-L49 HydrophobicContact CD1-CD1 4.03Å; F45-L49 HydrophobicContact CD1-CG 4.41Å; F45-L49 HydrophobicContact CE1-CD1 3.56Å; F45-L49 HydrophobicContact CE1-CD2 4.47Å; F45-L49 HydrophobicContact CE1-CG 4.04Å; F45-L49 HydrophobicContact CZ-CD1 4.06Å; F45-L49 HydrophobicContact CZ-CD2 4.13Å; F45-L49 HydrophobicContact CZ-CG 4.12Å; F45-L49 WeakPolarHBondContact O-CG 3.41Å; F45-L49 PolarHBondContact O-N 2.7Å; F45-W71 AromaticContact CE2-CH2 3.65Å; F45-W71 HydrophobicContact CE2-CH2 3.65Å; F45-W71 AromaticContact CE2-CZ3 3.97Å; F45-W71 HydrophobicContact CE2-CZ3 3.97Å; F45-W71 AromaticContact CZ-CH2 3.66Å; F45-W71 HydrophobicContact CZ-CH2 3.66Å; F45-W71 AromaticContact CZ-CZ3 3.61Å; F45-W71 HydrophobicContact CZ-CZ3 3.61Å; F45-L72 HydrophobicContact CE1-CD2 4.1Å; F45-L72 HydrophobicContact CZ-CD2 3.94Å; F45-L75 HydrophobicContact CE2-CD2 4.49Å; F45-L75 HydrophobicContact CZ-CD2 3.89Å; F45-F86 HydrophobicContact CB-CD1 3.68Å; F45-F86 HydrophobicContact CB-CE1 4.06Å; F45-F86 HydrophobicContact CB-CG 4.1Å; F45-F86 AromaticContact CD1-CD1 3.57Å; F45-F86 HydrophobicContact CD1-CD1 3.57Å; F45-F86 AromaticContact CD1-CE1 3.14Å; F45-F86 HydrophobicContact CD1-CE1 3.14Å; F45-F86 AromaticContact CD1-CZ 3.93Å; F45-F86 HydrophobicContact CD1-CZ 3.93Å; F45-F86 AromaticContact CD2-CD1 3.8Å; F45-F86 HydrophobicContact CD2-CD1 3.8Å; F45-F86 HydrophobicContact CD2-CE1 4.19Å; F45-F86 HydrophobicContact CE1-CD1 4.09Å; F45-F86 AromaticContact CE1-CE1 3.47Å; F45-F86 HydrophobicContact CE1-CE1 3.47Å; F45-F86 VanDerWaalsContact CE1-CE1 3.47Å; F45-F86 HydrophobicContact CE1-CZ 4.39Å; F45-F86 HydrophobicContact CE2-CD1 4.32Å; F45-F86 HydrophobicContact CE2-CE1 4.47Å; F45-F86 AromaticContact CG-CD1 3.38Å; F45-F86 HydrophobicContact CG-CD1 3.38Å; F45-F86 AromaticContact CG-CE1 3.53Å; F45-F86 HydrophobicContact CG-CE1 3.53Å; F45-F86 HydrophobicContact CG-CG 4.29Å; F45-F86 HydrophobicContact CG-CZ 4.48Å; F45-F86 HydrophobicContact CZ-CD1 4.42Å; F45-F86 HydrophobicContact CZ-CE1 4.12Å; F45-A89 HydrophobicContact CB-CB 4.29Å; F45-A89 HydrophobicContact CD2-CB 3.78Å; F45-L107 HydrophobicContact CE2-CD1 4.4Å
46S90.4Very high85.4Confident0 Ų047 Ų470%024%0.235CC..Hα-helixtrans-58.1-47173-169.90000111.7R11 A16 A42 N43 F48 L49 D50R11-S46 PolarHBondContact O-OG 2.73Å; A16-S46 WeakPolarHBondContact CB-OG 3.29Å; A42-S46 WeakPolarHBondContact O-CB 3.48Å; A42-S46 PolarHBondContact O-N 3.4Å; N43-S46 WeakPolarHBondContact O-CB 3.48Å; N43-S46 PolarHBondContact O-N 3.31Å; S46-F48 VanDerWaalsContact C-N 3.31Å; S46-F48 PolarHBondContact O-N 2.9Å; S46-L49 PolarHBondContact O-N 3.12Å; S46-L49 VanDerWaalsContact O-N 3.15Å; S46-D50 PolarHBondContact O-N 2.75Å
47A87.1Confident83.6Confident13 Ų1345.6 Ų45.611%0.10723%0.229CC..Hα-helixtrans-59.1-41.8175.800000112.3H10 N43 T44 F45 D50 R51H10-A47 VanDerWaalsContact CE1-CB 3.43Å; H10-A47 WeakPolarHBondContact CE1-CB 3.45Å; H10-A47 VanDerWaalsContact ND1-CB 3.31Å; H10-A47 WeakPolarHBondContact ND1-CB 3.35Å; N43-A47 PolarHBondContact O-N 3.22Å; T44-A47 WeakPolarHBondContact O-CB 3.35Å; T44-A47 PolarHBondContact O-N 3.19Å; F45-A47 PolarHBondContact O-N 3.39Å; A47-D50 PolarHBondContact O-N 3.12Å; A47-R51 VanDerWaalsContact O-CG 3.31Å; A47-R51 WeakPolarHBondContact O-CG 2.97Å; A47-R51 PolarHBondContact O-N 2.92Å
48F88.6Confident82Confident8 Ų843.5 Ų43.54%0.03522%0.219CC..Hα-helixtrans-61.6-44.9174.8167-100.1000111.9T44 F45 S46 D50 R51 L52 A89 V100 T103 W104 L107T44-F48 PolarHBondContact O-N 3.24Å; F45-F48 HydrophobicContact CD2-CD1 4.44Å; F45-F48 HydrophobicContact CE2-CD1 4.38Å; F45-F48 WeakPolarHBondContact O-CB 3.48Å; F45-F48 PolarHBondContact O-N 3.42Å; S46-F48 VanDerWaalsContact C-N 3.31Å; S46-F48 PolarHBondContact O-N 2.9Å; F48-D50 VanDerWaalsContact C-N 3.32Å; F48-D50 PolarHBondContact O-N 2.99Å; F48-R51 PolarHBondContact O-N 2.95Å; F48-L52 HydrophobicContact CE1-CB 4.44Å; F48-L52 HydrophobicContact CE1-CD2 3.99Å; F48-L52 HydrophobicContact CZ-CB 4.25Å; F48-L52 HydrophobicContact CZ-CD1 4.17Å; F48-L52 HydrophobicContact CZ-CD2 3.99Å; F48-L52 HydrophobicContact CZ-CG 4.38Å; F48-L52 WeakPolarHBondContact O-CB 3.32Å; F48-L52 PolarHBondContact O-N 2.79Å; F48-A89 HydrophobicContact CB-CB 4.24Å; F48-A89 HydrophobicContact CG-CB 4.47Å; F48-V100 HydrophobicContact CE2-CG1 4.05Å; F48-T103 HydrophobicContact CD2-CG2 3.67Å; F48-T103 HydrophobicContact CE1-CG2 4.47Å; F48-T103 HydrophobicContact CE2-CG2 3.46Å; F48-T103 VanDerWaalsContact CE2-CG2 3.46Å; F48-T103 HydrophobicContact CG-CG2 4.27Å; F48-T103 HydrophobicContact CZ-CG2 3.9Å; F48-W104 HydrophobicContact CZ-CB 4.38Å; F48-L107 HydrophobicContact CD1-CD1 3.92Å; F48-L107 HydrophobicContact CE1-CD1 3.22Å; F48-L107 HydrophobicContact CZ-CD1 3.67Å
49L89.5Confident80.6Confident0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-61.3-41.1177.5-72.2178.1000112.1A16 V17 W20 F45 S46 R51 L52 S53 L72A16-L49 HydrophobicContact CB-CB 4.33Å; V17-L49 HydrophobicContact CG2-CD1 3.52Å; W20-L49 WeakPolarHBondContact CZ2-O 3.33Å; F45-L49 HydrophobicContact CD1-CD1 4.03Å; F45-L49 HydrophobicContact CD1-CG 4.41Å; F45-L49 HydrophobicContact CE1-CD1 3.56Å; F45-L49 HydrophobicContact CE1-CD2 4.47Å; F45-L49 HydrophobicContact CE1-CG 4.04Å; F45-L49 HydrophobicContact CZ-CD1 4.06Å; F45-L49 HydrophobicContact CZ-CD2 4.13Å; F45-L49 HydrophobicContact CZ-CG 4.12Å; F45-L49 WeakPolarHBondContact O-CG 3.41Å; F45-L49 PolarHBondContact O-N 2.7Å; S46-L49 PolarHBondContact O-N 3.12Å; S46-L49 VanDerWaalsContact O-N 3.15Å; L49-R51 VanDerWaalsContact C-N 3.35Å; L49-L52 PolarHBondContact O-N 3.18Å; L49-S53 WeakPolarHBondContact O-CB 3.44Å; L49-S53 PolarHBondContact O-N 3.15Å; L49-L72 HydrophobicContact CD1-CD2 4.23Å; L49-L72 HydrophobicContact CD2-CD2 4.3Å
50D85.6Confident79.1Confident43 Ų4340.5 Ų40.523%0.2320%0.203CC..Hα-helixtrans-60.8-45.5175-79.7-22.9000110.5R11 S46 A47 F48 S53 D54R11-D50 VanDerWaalsContact CB-OD2 3.29Å; R11-D50 WeakPolarHBondContact CB-OD2 3.37Å; S46-D50 PolarHBondContact O-N 2.75Å; A47-D50 PolarHBondContact O-N 3.12Å; F48-D50 VanDerWaalsContact C-N 3.32Å; F48-D50 PolarHBondContact O-N 2.99Å; D50-S53 CarbonylContact O-C 3.39Å; D50-S53 WeakPolarHBondContact O-CA 3.34Å; D50-S53 WeakPolarHBondContact O-CB 3.2Å; D50-S53 PolarHBondContact O-N 3.44Å; D50-S53 VanDerWaalsContact O-N 3.12Å; D50-S53 PolarHBondContact O-OG 3.4Å; D50-D54 PolarHBondContact O-N 3.06Å
51R82.7Confident78.1Confident82 Ų8234.4 Ų34.431%0.30918%0.175SC..Hα-helixtrans-64.8-41.4176.7-67.717978.6146.617.6113.3A47 F48 L49 S53 D54 E97 D98 V100A47-R51 VanDerWaalsContact O-CG 3.31Å; A47-R51 WeakPolarHBondContact O-CG 2.97Å; A47-R51 PolarHBondContact O-N 2.92Å; F48-R51 PolarHBondContact O-N 2.95Å; L49-R51 VanDerWaalsContact C-N 3.35Å; R51-S53 PolarHBondContact O-N 3.32Å; R51-D54 PolarHBondContact O-N 3.12Å; R51-E97 VanDerWaalsContact NH1-CB 3.27Å; R51-E97 PolarHBondContact NH1-O 3.13Å; R51-E97 PolarHBondContact NH2-O 3.19Å; R51-D98 IonicContact NH2-OD1 3.8Å; R51-V100 HydrophobicContact CB-CG2 4.17Å
52L85.3Confident77.3Confident1 Ų134.9 Ų34.91%0.00519%0.187CC..Hα-helixtrans-60.9-34.2174.1-170.666.8000110.7W20 F48 L49 A58 F64 V68 V100 W104 I158W20-L52 HydrophobicContact CH2-CB 4.38Å; W20-L52 HydrophobicContact CH2-CD2 4.27Å; W20-L52 HydrophobicContact CH2-CG 4.01Å; W20-L52 HydrophobicContact CZ2-CB 3.99Å; W20-L52 HydrophobicContact CZ2-CD2 4.11Å; W20-L52 HydrophobicContact CZ2-CG 4.03Å; F48-L52 HydrophobicContact CE1-CB 4.44Å; F48-L52 HydrophobicContact CE1-CD2 3.99Å; F48-L52 HydrophobicContact CZ-CB 4.25Å; F48-L52 HydrophobicContact CZ-CD1 4.17Å; F48-L52 HydrophobicContact CZ-CD2 3.99Å; F48-L52 HydrophobicContact CZ-CG 4.38Å; F48-L52 WeakPolarHBondContact O-CB 3.32Å; F48-L52 PolarHBondContact O-N 2.79Å; L49-L52 PolarHBondContact O-N 3.18Å; L52-A58 VanDerWaalsContact O-CB 3.28Å; L52-A58 WeakPolarHBondContact O-CB 3.4Å; L52-F64 HydrophobicContact CD1-CE1 4.25Å; L52-F64 HydrophobicContact CD1-CZ 3.86Å; L52-F64 HydrophobicContact CD2-CZ 4.29Å; L52-F64 HydrophobicContact CG-CE1 4.11Å; L52-F64 HydrophobicContact CG-CZ 4.06Å; L52-V68 HydrophobicContact CD2-CG1 4.33Å; L52-V68 HydrophobicContact CD2-CG2 4.02Å; L52-V100 HydrophobicContact CB-CG1 4.28Å; L52-V100 HydrophobicContact CD1-CG1 3.57Å; L52-W104 HydrophobicContact CD1-CB 4.31Å; L52-W104 HydrophobicContact CD2-CE3 4.22Å; L52-I158 HydrophobicContact CD1-CD1 4.16Å; L52-I158 HydrophobicContact CD1-CG1 4.23Å
53S79.1Confident76.8Confident21 Ų2135.4 Ų35.415%0.14719%0.193CC..Hα-helixtrans-82.1-11175.587.50000113.6W20 L49 D50 R51 T55 R59W20-S53 VanDerWaalsContact CZ2-CB 3.41Å; L49-S53 WeakPolarHBondContact O-CB 3.44Å; L49-S53 PolarHBondContact O-N 3.15Å; D50-S53 CarbonylContact O-C 3.39Å; D50-S53 WeakPolarHBondContact O-CA 3.34Å; D50-S53 WeakPolarHBondContact O-CB 3.2Å; D50-S53 PolarHBondContact O-N 3.44Å; D50-S53 VanDerWaalsContact O-N 3.12Å; D50-S53 PolarHBondContact O-OG 3.4Å; R51-S53 PolarHBondContact O-N 3.32Å; S53-T55 PolarHBondContact O-N 3.34Å; S53-R59 WeakPolarHBondContact O-CD 3.22Å; S53-R59 WeakPolarHBondContact O-CG 3.34Å; S53-R59 PolarHBondContact O-NH1 3.22Å
54D70.3Confident76.5Confident95 Ų9530.7 Ų30.751%0.50817%0.167SC..  trans-75.4-12.5-165.3-160.825.7000113.6D50 R51 R59D50-D54 PolarHBondContact O-N 3.06Å; R51-D54 PolarHBondContact O-N 3.12Å; D54-R59 VanDerWaalsContact CA-NH1 3.35Å; D54-R59 PolarHBondContact O-NH1 3.38Å; D54-R59 PolarHBondContact O-NH2 2.67Å; D54-R59 IonicContact OD1-CZ 2.75Å; D54-R59 IonicContact OD1-NH1 2.82Å; D54-R59 PolarHBondContact OD1-NH1 3.32Å; D54-R59 IonicContact OD1-NH2 2.75Å
55T65.2Low76.4Confident3 Ų332 Ų322%0.01817%0.168CC..SBendtrans-84.5138178.565.90000112.1S53 S57 A58 R59 D156 I158S53-T55 PolarHBondContact O-N 3.34Å; T55-S57 PolarHBondContact O-N 2.74Å; T55-A58 PolarHBondContact O-N 3.11Å; T55-A58 VanDerWaalsContact O-N 3.13Å; T55-A58 WeakPolarHBondContact OG1-CB 3.39Å; T55-A58 PolarHBondContact OG1-N 2.71Å; T55-A58 VanDerWaalsContact OG1-N 3.1Å; T55-R59 WeakPolarHBondContact O-CG 3.38Å; T55-R59 PolarHBondContact O-N 3.47Å; T55-D156 HydrophobicContact CG2-CB 3.54Å; T55-I158 HydrophobicContact CG2-CG2 3.17Å
56V54.4Low76.2Confident69 Ų6938.3 Ų38.342%0.41820%0.197SC..Hα-helixtrans-53.4-39.9175.6177.40000110.4N60 F183V56-N60 WeakPolarHBondContact CG1-ND2 3.06Å; V56-N60 WeakPolarHBondContact O-CB 3.48Å; V56-N60 PolarHBondContact O-N 2.95Å; V56-N60 PolarHBondContact O-ND2 3.13Å; V56-F183 HydrophobicContact CG1-CD2 3.73Å; V56-F183 HydrophobicContact CG1-CE2 3.8Å
57S57.2Low76.2Confident0 Ų040.7 Ų40.70%021%0.209CC..Hα-helixtrans-67.5-48.1177.9-67.10000111.5T55 R59 N60 T61 E159 M181 R182T55-S57 PolarHBondContact O-N 2.74Å; S57-R59 VanDerWaalsContact C-N 3.3Å; S57-R59 PolarHBondContact O-N 2.97Å; S57-N60 PolarHBondContact O-N 2.74Å; S57-T61 WeakPolarHBondContact O-CB 3.35Å; S57-T61 PolarHBondContact O-N 2.8Å; S57-T61 PolarHBondContact O-OG1 3.02Å; S57-E159 PolarHBondContact OG-OE1 3.31Å; S57-M181 WeakPolarHBondContact OG-CE 3.43Å; S57-R182 PolarHBondContact OG-O 3.19Å
58A57.8Low76.4Confident0 Ų040.1 Ų40.10%020%0.203CC..Hα-helixtrans-59.7-38.5175.700000112.7L52 T55 F64 R65L52-A58 VanDerWaalsContact O-CB 3.28Å; L52-A58 WeakPolarHBondContact O-CB 3.4Å; T55-A58 PolarHBondContact O-N 3.11Å; T55-A58 VanDerWaalsContact O-N 3.13Å; T55-A58 WeakPolarHBondContact OG1-CB 3.39Å; T55-A58 PolarHBondContact OG1-N 2.71Å; T55-A58 VanDerWaalsContact OG1-N 3.1Å; A58-F64 HydrophobicContact CB-CD1 3.78Å; A58-F64 HydrophobicContact CB-CE1 3.84Å; A58-R65 WeakPolarHBondContact O-CG 3.03Å
59R59.8Low76.5Confident101 Ų10140.2 Ų40.238%0.38121%0.206SC..Hα-helixtrans-68.2-34.2177.2-67.3-170.1-83-113.5-1.6113.6S53 D54 T55 S57 R65S53-R59 WeakPolarHBondContact O-CD 3.22Å; S53-R59 WeakPolarHBondContact O-CG 3.34Å; S53-R59 PolarHBondContact O-NH1 3.22Å; D54-R59 VanDerWaalsContact CA-NH1 3.35Å; D54-R59 PolarHBondContact O-NH1 3.38Å; D54-R59 PolarHBondContact O-NH2 2.67Å; D54-R59 IonicContact OD1-CZ 2.75Å; D54-R59 IonicContact OD1-NH1 2.82Å; D54-R59 PolarHBondContact OD1-NH1 3.32Å; D54-R59 IonicContact OD1-NH2 2.75Å; T55-R59 WeakPolarHBondContact O-CG 3.38Å; T55-R59 PolarHBondContact O-N 3.47Å; S57-R59 VanDerWaalsContact C-N 3.3Å; S57-R59 PolarHBondContact O-N 2.97Å; R59-R65 WeakPolarHBondContact O-CD 3.07Å
60N63.1Low76.7Confident68 Ų6842.4 Ų42.436%0.36422%0.224SC..Hα-helixtrans-102.9-6.6-173.3-69.7-66.5000114.3V56 S57 S62 R182 F183V56-N60 WeakPolarHBondContact CG1-ND2 3.06Å; V56-N60 WeakPolarHBondContact O-CB 3.48Å; V56-N60 PolarHBondContact O-N 2.95Å; V56-N60 PolarHBondContact O-ND2 3.13Å; S57-N60 PolarHBondContact O-N 2.74Å; N60-S62 PolarHBondContact O-N 2.85Å; N60-R182 HydrophobicContact CB-CB 4.27Å; N60-F183 HydrophobicContact CB-CE2 4.49Å
61T71.5Confident77.1Confident5 Ų540.9 Ų40.93%0.03122%0.215CC..  trans-90.291.8177-60.70000108.1S57 G63 F64 R65 V178 E180S57-T61 WeakPolarHBondContact O-CB 3.35Å; S57-T61 PolarHBondContact O-N 2.8Å; S57-T61 PolarHBondContact O-OG1 3.02Å; T61-G63 VanDerWaalsContact C-N 3.26Å; T61-G63 PolarHBondContact O-N 2.92Å; T61-F64 HydrophobicContact CG2-CB 3.89Å; T61-F64 WeakPolarHBondContact O-CB 3.38Å; T61-F64 PolarHBondContact O-N 2.95Å; T61-R65 PolarHBondContact O-N 2.8Å; T61-V178 HydrophobicContact CG2-CB 3.83Å; T61-V178 HydrophobicContact CG2-CG1 3.39Å; T61-V178 HydrophobicContact CG2-CG2 3.96Å; T61-E180 WeakPolarHBondContact CG2-O 3.36Å
62S74.7Confident77.8Confident82 Ų8237 Ų3757%0.57320%0.2SC*.Hα-helixtrans-53.8-43-17453.90000112.3N60 F64 R65 E66N60-S62 PolarHBondContact O-N 2.85Å; S62-F64 VanDerWaalsContact C-N 3.28Å; S62-F64 PolarHBondContact O-N 2.95Å; S62-R65 PolarHBondContact O-N 3.1Å; S62-E66 WeakPolarHBondContact O-CG 3.4Å; S62-E66 PolarHBondContact O-N 2.66Å
63G81Confident78.3Confident14 Ų1440.9 Ų40.914%0.14422%0.219CC..Hα-helixtrans-63.4-31.1178.800000113.7T61 Q67T61-G63 VanDerWaalsContact C-N 3.26Å; T61-G63 PolarHBondContact O-N 2.92Å; G63-Q67 VanDerWaalsContact O-CG 3.31Å; G63-Q67 WeakPolarHBondContact O-CG 3.47Å; G63-Q67 PolarHBondContact O-N 3.22Å; G63-Q67 VanDerWaalsContact O-N 3.16Å
64F83.8Confident79Confident1 Ų144 Ų440%0.00423%0.23CC..Hα-helixtrans-69.8-44.5175.5-175.2-120.1000110.4W20 L52 A58 T61 S62 E66 Q67 V68 W104 L162 V178W20-F64 HydrophobicContact CH2-CD1 4.43Å; W20-F64 HydrophobicContact CH2-CE1 4.01Å; W20-F64 HydrophobicContact CZ3-CD1 4.18Å; W20-F64 HydrophobicContact CZ3-CE1 4.17Å; L52-F64 HydrophobicContact CD1-CE1 4.25Å; L52-F64 HydrophobicContact CD1-CZ 3.86Å; L52-F64 HydrophobicContact CD2-CZ 4.29Å; L52-F64 HydrophobicContact CG-CE1 4.11Å; L52-F64 HydrophobicContact CG-CZ 4.06Å; A58-F64 HydrophobicContact CB-CD1 3.78Å; A58-F64 HydrophobicContact CB-CE1 3.84Å; T61-F64 HydrophobicContact CG2-CB 3.89Å; T61-F64 WeakPolarHBondContact O-CB 3.38Å; T61-F64 PolarHBondContact O-N 2.95Å; S62-F64 VanDerWaalsContact C-N 3.28Å; S62-F64 PolarHBondContact O-N 2.95Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 2.82Å; F64-Q67 WeakPolarHBondContact O-CB 3.28Å; F64-Q67 PolarHBondContact O-N 3.44Å; F64-Q67 VanDerWaalsContact O-N 3.15Å; F64-V68 HydrophobicContact CD1-CG2 4.34Å; F64-V68 HydrophobicContact CD2-CG2 4.44Å; F64-V68 HydrophobicContact CE1-CG2 3.95Å; F64-V68 HydrophobicContact CE2-CG2 4.05Å; F64-V68 HydrophobicContact CZ-CG2 3.79Å; F64-V68 WeakPolarHBondContact O-CG2 3.31Å; F64-V68 PolarHBondContact O-N 2.74Å; F64-W104 HydrophobicContact CE2-CZ2 4.46Å; F64-W104 AromaticContact CE2-NE1 3.79Å; F64-L162 HydrophobicContact CD1-CD1 4.25Å; F64-L162 HydrophobicContact CD2-CD1 4.47Å; F64-L162 HydrophobicContact CD2-CD2 3.83Å; F64-L162 HydrophobicContact CE1-CD1 4.41Å; F64-L162 HydrophobicContact CE2-CD2 3.97Å; F64-L162 HydrophobicContact CG-CD1 4.28Å; F64-L162 HydrophobicContact CG-CD2 4.37Å; F64-V178 HydrophobicContact CB-CG2 3.81Å; F64-V178 VanDerWaalsContact N-CG2 3.32Å
65R86Confident80.3Confident66 Ų6639.5 Ų39.525%0.24921%0.206CC..Hα-helixtrans-61.5-39.9177.4-65.8178.557.4109.85.2112A19 W20 A58 R59 T61 S62 Q67 V68 A69A19-R65 PolarHBondContact O-NH2 3.18Å; W20-R65 HydrophobicContact CE3-CB 4.22Å; W20-R65 HydrophobicContact CE3-CG 3.97Å; W20-R65 HydrophobicContact CZ3-CG 3.93Å; A58-R65 WeakPolarHBondContact O-CG 3.03Å; R59-R65 WeakPolarHBondContact O-CD 3.07Å; T61-R65 PolarHBondContact O-N 2.8Å; S62-R65 PolarHBondContact O-N 3.1Å; R65-Q67 VanDerWaalsContact C-N 3.34Å; R65-V68 PolarHBondContact O-N 2.87Å; R65-A69 VanDerWaalsContact O-CB 3.22Å; R65-A69 WeakPolarHBondContact O-CB 3.36Å; R65-A69 PolarHBondContact O-N 3.15Å
66E88Confident81.7Confident132 Ų13241 Ų4162%0.61722%0.216SC*.Hα-helixtrans-61.9-41175-73.6169.1-165.400111.9S62 F64 A69 A70S62-E66 WeakPolarHBondContact O-CG 3.4Å; S62-E66 PolarHBondContact O-N 2.66Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 2.82Å; E66-A69 PolarHBondContact O-N 3.43Å; E66-A70 VanDerWaalsContact O-CB 3.28Å; E66-A70 WeakPolarHBondContact O-CB 3.49Å; E66-A70 PolarHBondContact O-N 3.24Å
67Q88.9Confident83.6Confident51 Ų5142 Ų4224%0.23823%0.231CC..Hα-helixtrans-65.6-45.3175.9-71.5173.533.600112.4G63 F64 R65 A70 W71 T176G63-Q67 VanDerWaalsContact O-CG 3.31Å; G63-Q67 WeakPolarHBondContact O-CG 3.47Å; G63-Q67 PolarHBondContact O-N 3.22Å; G63-Q67 VanDerWaalsContact O-N 3.16Å; F64-Q67 WeakPolarHBondContact O-CB 3.28Å; F64-Q67 PolarHBondContact O-N 3.44Å; F64-Q67 VanDerWaalsContact O-N 3.15Å; R65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-A70 PolarHBondContact O-N 3.18Å; Q67-W71 WeakPolarHBondContact O-CB 3.43Å; Q67-W71 PolarHBondContact O-N 2.99Å; Q67-T176 PolarHBondContact NE2-O 3.33Å; Q67-T176 PolarHBondContact OE1-O 2.94Å
68V91.3Very high85.4Confident0 Ų043 Ų430%024%0.239CC..Hα-helixtrans-64.1-43.7177.5176.60000110.1W20 L52 F64 R65 W71 L72 W104W20-V68 HydrophobicContact CD2-CB 4.14Å; W20-V68 HydrophobicContact CD2-CG1 3.56Å; W20-V68 HydrophobicContact CE3-CB 3.77Å; W20-V68 HydrophobicContact CE3-CG1 3.72Å; W20-V68 HydrophobicContact CE3-CG2 4.26Å; W20-V68 HydrophobicContact CG-CG1 3.95Å; W20-V68 HydrophobicContact CH2-CG1 4.37Å; W20-V68 HydrophobicContact CH2-CG2 4.3Å; W20-V68 HydrophobicContact CZ2-CG1 4.23Å; W20-V68 HydrophobicContact CZ3-CB 4.02Å; W20-V68 HydrophobicContact CZ3-CG1 4.13Å; W20-V68 HydrophobicContact CZ3-CG2 3.98Å; L52-V68 HydrophobicContact CD2-CG1 4.33Å; L52-V68 HydrophobicContact CD2-CG2 4.02Å; F64-V68 HydrophobicContact CD1-CG2 4.34Å; F64-V68 HydrophobicContact CD2-CG2 4.44Å; F64-V68 HydrophobicContact CE1-CG2 3.95Å; F64-V68 HydrophobicContact CE2-CG2 4.05Å; F64-V68 HydrophobicContact CZ-CG2 3.79Å; F64-V68 WeakPolarHBondContact O-CG2 3.31Å; F64-V68 PolarHBondContact O-N 2.74Å; R65-V68 PolarHBondContact O-N 2.87Å; V68-W71 PolarHBondContact O-N 3.24Å; V68-L72 HydrophobicContact CG1-CD1 3.85Å; V68-L72 HydrophobicContact CG1-CG 4.37Å; V68-L72 WeakPolarHBondContact O-CB 3.38Å; V68-L72 VanDerWaalsContact O-CG 3.28Å; V68-L72 WeakPolarHBondContact O-CG 3.36Å; V68-L72 PolarHBondContact O-N 2.93Å; V68-W104 HydrophobicContact CG2-CH2 4.05Å; V68-W104 HydrophobicContact CG2-CZ2 4.26Å; V68-W104 HydrophobicContact CG2-CZ3 4.4Å
69A92.3Very high87.1Confident11 Ų1146 Ų469%0.09126%0.263CS..Hα-helixtrans-61.3-46.217600000112.1F21 R65 E66 W71 L72 E73F21-A69 HydrophobicContact CD1-CB 4.07Å; F21-A69 HydrophobicContact CD2-CB 4.5Å; F21-A69 HydrophobicContact CE1-CB 3.82Å; F21-A69 HydrophobicContact CE2-CB 4.27Å; F21-A69 HydrophobicContact CG-CB 4.41Å; F21-A69 HydrophobicContact CZ-CB 3.94Å; F21-A69 WeakPolarHBondContact CZ-O 3.15Å; R65-A69 VanDerWaalsContact O-CB 3.22Å; R65-A69 WeakPolarHBondContact O-CB 3.36Å; R65-A69 PolarHBondContact O-N 3.15Å; E66-A69 PolarHBondContact O-N 3.43Å; A69-W71 VanDerWaalsContact C-N 3.3Å; A69-W71 PolarHBondContact O-N 3.41Å; A69-L72 PolarHBondContact O-N 3.01Å; A69-E73 WeakPolarHBondContact O-CG 3.49Å; A69-E73 PolarHBondContact O-N 3.49Å
70A92.8Very high88.8Confident46 Ų4646.5 Ų46.538%0.3827%0.27SS..Hα-helixtrans-63.6-35.7176.800000112.3E66 Q67 K74E66-A70 VanDerWaalsContact O-CB 3.28Å; E66-A70 WeakPolarHBondContact O-CB 3.49Å; E66-A70 PolarHBondContact O-N 3.24Å; Q67-A70 PolarHBondContact O-N 3.18Å; A70-K74 PolarHBondContact O-N 3.16Å
71W94.9Very high90.4Very high10 Ų1043.3 Ų43.34%0.03825%0.253CS..Hα-helixtrans-67.8-42.7173.7177.989.5000111.5F45 Q67 V68 A69 E73 K74 L75 W104 L107F45-W71 AromaticContact CE2-CH2 3.65Å; F45-W71 HydrophobicContact CE2-CH2 3.65Å; F45-W71 AromaticContact CE2-CZ3 3.97Å; F45-W71 HydrophobicContact CE2-CZ3 3.97Å; F45-W71 AromaticContact CZ-CH2 3.66Å; F45-W71 HydrophobicContact CZ-CH2 3.66Å; F45-W71 AromaticContact CZ-CZ3 3.61Å; F45-W71 HydrophobicContact CZ-CZ3 3.61Å; Q67-W71 WeakPolarHBondContact O-CB 3.43Å; Q67-W71 PolarHBondContact O-N 2.99Å; V68-W71 PolarHBondContact O-N 3.24Å; A69-W71 VanDerWaalsContact C-N 3.3Å; A69-W71 PolarHBondContact O-N 3.41Å; W71-E73 VanDerWaalsContact C-N 3.34Å; W71-E73 PolarHBondContact O-N 3.05Å; W71-K74 WeakPolarHBondContact O-CB 3.44Å; W71-K74 PolarHBondContact O-N 3.48Å; W71-K74 VanDerWaalsContact O-N 3.08Å; W71-L75 HydrophobicContact CD2-CD1 3.84Å; W71-L75 VanDerWaalsContact CE2-CD1 3.42Å; W71-L75 HydrophobicContact CE3-CD1 4.27Å; W71-L75 HydrophobicContact CE3-CD2 4.35Å; W71-L75 HydrophobicContact CG-CD1 4.45Å; W71-L75 HydrophobicContact CH2-CD1 3.9Å; W71-L75 HydrophobicContact CH2-CD2 3.21Å; W71-L75 HydrophobicContact CH2-CG 4.2Å; W71-L75 HydrophobicContact CZ2-CD1 3.42Å; W71-L75 VanDerWaalsContact CZ2-CD1 3.42Å; W71-L75 HydrophobicContact CZ2-CD2 3.6Å; W71-L75 HydrophobicContact CZ2-CG 4.13Å; W71-L75 HydrophobicContact CZ3-CD1 4.32Å; W71-L75 HydrophobicContact CZ3-CD2 3.68Å; W71-L75 WeakPolarHBondContact O-CD1 3.46Å; W71-L75 PolarHBondContact O-N 3.22Å; W71-W104 HydrophobicContact CB-CH2 4.03Å; W71-W104 HydrophobicContact CB-CZ3 4.48Å; W71-W104 HydrophobicContact CD2-CH2 4.3Å; W71-W104 AromaticContact CD2-CZ3 3.89Å; W71-W104 HydrophobicContact CD2-CZ3 3.89Å; W71-W104 AromaticContact CE3-CZ3 3.97Å; W71-W104 HydrophobicContact CE3-CZ3 3.97Å; W71-W104 HydrophobicContact CG-CH2 4.02Å; W71-W104 HydrophobicContact CG-CZ3 4.08Å; W71-L107 HydrophobicContact CH2-CB 4.13Å; W71-L107 HydrophobicContact CH2-CD1 3.88Å; W71-L107 HydrophobicContact CH2-CD2 3.91Å; W71-L107 HydrophobicContact CH2-CG 4.2Å; W71-L107 HydrophobicContact CZ2-CB 3.62Å; W71-L107 HydrophobicContact CZ2-CD1 4.24Å; W71-L107 HydrophobicContact CZ2-CD2 3.85Å; W71-L107 HydrophobicContact CZ2-CG 4.11Å; W71-L107 PolarHBondContact NE1-O 2.91Å
72L96.4Very high91.6Very high0 Ų043.6 Ų43.60%025%0.253CS..Hα-helixtrans-62.3-37.3174.3-71.7165.2000112.3V17 W20 F21 W33 F45 L49 V68 A69 K74 L75 S76V17-L72 HydrophobicContact CG1-CD1 4.12Å; V17-L72 HydrophobicContact CG1-CD2 4.49Å; V17-L72 HydrophobicContact CG2-CD2 4.29Å; W20-L72 HydrophobicContact CB-CD1 4.04Å; W20-L72 HydrophobicContact CG-CD1 4.02Å; F21-L72 HydrophobicContact CE2-CB 4.02Å; F21-L72 HydrophobicContact CE2-CD1 4.03Å; F21-L72 HydrophobicContact CZ-CB 3.99Å; W33-L72 HydrophobicContact CH2-CD2 3.73Å; W33-L72 HydrophobicContact CZ2-CB 4.09Å; W33-L72 HydrophobicContact CZ2-CD2 3.81Å; W33-L72 WeakPolarHBondContact CZ2-O 3.38Å; F45-L72 HydrophobicContact CE1-CD2 4.1Å; F45-L72 HydrophobicContact CZ-CD2 3.94Å; L49-L72 HydrophobicContact CD1-CD2 4.23Å; L49-L72 HydrophobicContact CD2-CD2 4.3Å; V68-L72 HydrophobicContact CG1-CD1 3.85Å; V68-L72 HydrophobicContact CG1-CG 4.37Å; V68-L72 WeakPolarHBondContact O-CB 3.38Å; V68-L72 VanDerWaalsContact O-CG 3.28Å; V68-L72 WeakPolarHBondContact O-CG 3.36Å; V68-L72 PolarHBondContact O-N 2.93Å; A69-L72 PolarHBondContact O-N 3.01Å; L72-K74 PolarHBondContact O-N 3.47Å; L72-L75 PolarHBondContact O-N 3.44Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L72-S76 PolarHBondContact O-N 3.31Å
73E95.4Very high92.6Very high83 Ų8345.4 Ų45.439%0.38825%0.253SS..Hα-helixtrans-60.2-32.5173.4-74.3179.517400112.1F21 K25 A69 W71 S76F21-E73 HydrophobicContact CE1-CG 3.66Å; F21-E73 HydrophobicContact CZ-CG 3.89Å; K25-E73 IonicContact NZ-OE1 2.74Å; K25-E73 PolarHBondContact NZ-OE1 3.37Å; A69-E73 WeakPolarHBondContact O-CG 3.49Å; A69-E73 PolarHBondContact O-N 3.49Å; W71-E73 VanDerWaalsContact C-N 3.34Å; W71-E73 PolarHBondContact O-N 3.05Å; E73-S76 PolarHBondContact O-OG 3.22Å
74K95.3Very high93.3Very high88 Ų8847.9 Ų47.938%0.38326%0.26SS..Hα-helixtrans-72.5-37.8174.7-64.9-177.5178.5-168.80112.3A70 W71 L72 S76 A77 S78 L81 L111A70-K74 PolarHBondContact O-N 3.16Å; W71-K74 WeakPolarHBondContact O-CB 3.44Å; W71-K74 PolarHBondContact O-N 3.48Å; W71-K74 VanDerWaalsContact O-N 3.08Å; L72-K74 PolarHBondContact O-N 3.47Å; K74-S76 VanDerWaalsContact C-N 3.33Å; K74-S76 PolarHBondContact O-N 3.08Å; K74-A77 PolarHBondContact O-N 2.85Å; K74-S78 PolarHBondContact O-N 3.4Å; K74-L81 HydrophobicContact CB-CD2 4.31Å; K74-L111 HydrophobicContact CB-CD1 4.24Å; K74-L111 HydrophobicContact CD-CD1 3.64Å; K74-L111 HydrophobicContact CD-CD2 3.6Å; K74-L111 HydrophobicContact CD-CG 4.27Å
75L95.7Very high93.8Very high0 Ų047.8 Ų47.80%026%0.26CS..Hα-helixtrans-66.5-33.7177.4-93.466.4000112.6W33 F45 W71 L72 A77 L81 R82W33-L75 HydrophobicContact CH2-CB 3.93Å; W33-L75 HydrophobicContact CH2-CD2 4.26Å; W33-L75 HydrophobicContact CZ2-CB 4.15Å; F45-L75 HydrophobicContact CE2-CD2 4.49Å; F45-L75 HydrophobicContact CZ-CD2 3.89Å; W71-L75 HydrophobicContact CD2-CD1 3.84Å; W71-L75 VanDerWaalsContact CE2-CD1 3.42Å; W71-L75 HydrophobicContact CE3-CD1 4.27Å; W71-L75 HydrophobicContact CE3-CD2 4.35Å; W71-L75 HydrophobicContact CG-CD1 4.45Å; W71-L75 HydrophobicContact CH2-CD1 3.9Å; W71-L75 HydrophobicContact CH2-CD2 3.21Å; W71-L75 HydrophobicContact CH2-CG 4.2Å; W71-L75 HydrophobicContact CZ2-CD1 3.42Å; W71-L75 VanDerWaalsContact CZ2-CD1 3.42Å; W71-L75 HydrophobicContact CZ2-CD2 3.6Å; W71-L75 HydrophobicContact CZ2-CG 4.13Å; W71-L75 HydrophobicContact CZ3-CD1 4.32Å; W71-L75 HydrophobicContact CZ3-CD2 3.68Å; W71-L75 WeakPolarHBondContact O-CD1 3.46Å; W71-L75 PolarHBondContact O-N 3.22Å; L72-L75 PolarHBondContact O-N 3.44Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L75-A77 PolarHBondContact O-N 2.88Å; L75-L81 HydrophobicContact CD1-CD2 3.86Å; L75-L81 HydrophobicContact CD1-CG 3.92Å; L75-L81 HydrophobicContact CG-CG 4.25Å; L75-R82 PolarHBondContact O-NH1 3.15Å
76S94.7Very high94.3Very high34 Ų3444.7 Ų44.724%0.23825%0.248CC..Hα-helixtrans-68.3-25.6177.269.30000112.5L72 E73 K74L72-S76 PolarHBondContact O-N 3.31Å; E73-S76 PolarHBondContact O-OG 3.22Å; K74-S76 VanDerWaalsContact C-N 3.33Å; K74-S76 PolarHBondContact O-N 3.08Å
77A94.3Very high94.5Very high89 Ų8940.5 Ų40.574%0.73624%0.237SC*.Hα-helixtrans-84.6-19.2-178.600000114.6K74 L75K74-A77 PolarHBondContact O-N 2.85Å; L75-A77 PolarHBondContact O-N 2.88Å
78S95.4Very high94.6Very high23 Ų2339.6 Ų39.616%0.16123%0.234CC..  trans-131.6113.3-175.9172.90000111.6K74 E80 L81 R82 H114K74-S78 PolarHBondContact O-N 3.4Å; S78-E80 VanDerWaalsContact C-N 3.35Å; S78-L81 PolarHBondContact O-N 3.27Å; S78-L81 WeakPolarHBondContact OG-CB 3.38Å; S78-L81 PolarHBondContact OG-N 3.5Å; S78-R82 WeakPolarHBondContact O-CB 3.42Å; S78-R82 PolarHBondContact O-N 2.92Å; S78-R82 PolarHBondContact O-NH1 3.16Å; S78-H114 PolarHBondContact OG-CE1 2.66Å; S78-H114 VanDerWaalsContact OG-CE1 3.25Å; S78-H114 PolarHBondContact OG-NE2 3.12Å
79A95Very high94.5Very high61 Ų6139.6 Ų39.650%0.50423%0.234SC..Hα-helixtrans-64.4-3917900000112.5R82 Q83A79-R82 PolarHBondContact O-N 3.41Å; A79-Q83 WeakPolarHBondContact O-CB 3.47Å; A79-Q83 PolarHBondContact O-N 3.4Å
80E94.8Very high94.3Very high112 Ų11239.3 Ų39.352%0.52323%0.232SC..Hα-helixtrans-64.3-48.5177-175.3-176.1170.200111.3S78 R82 Q83 Q84S78-E80 VanDerWaalsContact C-N 3.35Å; E80-R82 VanDerWaalsContact C-N 3.28Å; E80-R82 PolarHBondContact O-N 2.88Å; E80-Q83 PolarHBondContact O-N 2.94Å; E80-Q84 WeakPolarHBondContact O-CG 3.44Å; E80-Q84 PolarHBondContact O-N 3.27Å; E80-Q84 PolarHBondContact OE1-NE2 3.39Å
81L96.2Very high93.9Very high2 Ų242.2 Ų42.21%0.0124%0.241CC..Hα-helixtrans-60.4-40.5177.4175.359.2000111.6K74 L75 S78 S85 T110 L111 H114K74-L81 HydrophobicContact CB-CD2 4.31Å; L75-L81 HydrophobicContact CD1-CD2 3.86Å; L75-L81 HydrophobicContact CD1-CG 3.92Å; L75-L81 HydrophobicContact CG-CG 4.25Å; S78-L81 PolarHBondContact O-N 3.27Å; S78-L81 WeakPolarHBondContact OG-CB 3.38Å; S78-L81 PolarHBondContact OG-N 3.5Å; L81-S85 VanDerWaalsContact O-CB 3.27Å; L81-S85 WeakPolarHBondContact O-CB 3.35Å; L81-S85 PolarHBondContact O-N 3.38Å; L81-S85 PolarHBondContact O-OG 3.44Å; L81-T110 HydrophobicContact CD1-CG2 4.09Å; L81-L111 HydrophobicContact CD1-CB 4.34Å; L81-L111 HydrophobicContact CD1-CD1 4.46Å; L81-L111 HydrophobicContact CD2-CD1 3.6Å; L81-H114 HydrophobicContact CD1-CB 3.95Å
82R96.9Very high92.9Very high10 Ų1042.2 Ų42.24%0.03824%0.243CC..Hα-helixtrans-64.8-47.6178.2-171.8172.554.9-104.23.3111.7E39 L75 S78 A79 E80 Q84 S85 F86E39-R82 VanDerWaalsContact CD-NE 3.3Å; E39-R82 IonicContact OE1-CZ 3.48Å; E39-R82 IonicContact OE1-NE 3.6Å; E39-R82 PolarHBondContact OE1-NE 2.97Å; E39-R82 VanDerWaalsContact OE1-NE 3.11Å; E39-R82 IonicContact OE1-NH2 3.64Å; E39-R82 PolarHBondContact OE1-NH2 3.35Å; E39-R82 WeakPolarHBondContact OE2-CD 3.47Å; E39-R82 IonicContact OE2-CZ 3.28Å; E39-R82 IonicContact OE2-NE 2.88Å; E39-R82 PolarHBondContact OE2-NE 3.48Å; E39-R82 IonicContact OE2-NH2 2.79Å; L75-R82 PolarHBondContact O-NH1 3.15Å; S78-R82 WeakPolarHBondContact O-CB 3.42Å; S78-R82 PolarHBondContact O-N 2.92Å; S78-R82 PolarHBondContact O-NH1 3.16Å; A79-R82 PolarHBondContact O-N 3.41Å; E80-R82 VanDerWaalsContact C-N 3.28Å; E80-R82 PolarHBondContact O-N 2.88Å; R82-Q84 PolarHBondContact O-N 2.83Å; R82-S85 WeakPolarHBondContact O-CB 3.28Å; R82-S85 PolarHBondContact O-N 3.4Å; R82-S85 VanDerWaalsContact O-N 3.15Å; R82-F86 HydrophobicContact CG-CD1 4.13Å; R82-F86 HydrophobicContact CG-CD2 4.42Å; R82-F86 HydrophobicContact CG-CE1 3.52Å; R82-F86 HydrophobicContact CG-CE2 3.89Å; R82-F86 HydrophobicContact CG-CZ 3.4Å; R82-F86 VanDerWaalsContact CG-CZ 3.4Å; R82-F86 VanDerWaalsContact O-CD1 3.31Å; R82-F86 WeakPolarHBondContact O-CD1 3.31Å; R82-F86 WeakPolarHBondContact O-CG 3.46Å; R82-F86 PolarHBondContact O-N 2.96Å
83Q96.1Very high91.4Very high121 Ų12144.9 Ų44.957%0.56526%0.259SS*.Hα-helixtrans-58.5-46.4176.2-175-177.4-5.600111.6A79 E80 S85 F86 A87A79-Q83 WeakPolarHBondContact O-CB 3.47Å; A79-Q83 PolarHBondContact O-N 3.4Å; E80-Q83 PolarHBondContact O-N 2.94Å; Q83-S85 VanDerWaalsContact C-N 3.32Å; Q83-S85 PolarHBondContact O-N 3.31Å; Q83-F86 PolarHBondContact O-N 3.47Å; Q83-A87 PolarHBondContact O-N 3.22Å
84Q95.4Very high89.7Confident65 Ų6548.6 Ų48.630%0.30428%0.277SS..Hα-helixtrans-61.8-40.7176.3-69.8173.35.600111.8E80 R82 A87 V88 T110E80-Q84 WeakPolarHBondContact O-CG 3.44Å; E80-Q84 PolarHBondContact O-N 3.27Å; E80-Q84 PolarHBondContact OE1-NE2 3.39Å; R82-Q84 PolarHBondContact O-N 2.83Å; Q84-A87 PolarHBondContact O-N 3.42Å; Q84-V88 WeakPolarHBondContact O-CG2 3.39Å; Q84-V88 PolarHBondContact O-N 3.33Å; Q84-T110 HydrophobicContact CB-CG2 3.67Å
85S95.2Very high87.8Confident0 Ų046.9 Ų46.90%028%0.276CS..Hα-helixtrans-66.8-39.1178.5-61.30000112.2L81 R82 Q83 V88 A89 L107L81-S85 VanDerWaalsContact O-CB 3.27Å; L81-S85 WeakPolarHBondContact O-CB 3.35Å; L81-S85 PolarHBondContact O-N 3.38Å; L81-S85 PolarHBondContact O-OG 3.44Å; R82-S85 WeakPolarHBondContact O-CB 3.28Å; R82-S85 PolarHBondContact O-N 3.4Å; R82-S85 VanDerWaalsContact O-N 3.15Å; Q83-S85 VanDerWaalsContact C-N 3.32Å; Q83-S85 PolarHBondContact O-N 3.31Å; S85-V88 PolarHBondContact O-N 3.25Å; S85-A89 PolarHBondContact O-N 3.28Å; S85-A89 VanDerWaalsContact O-N 3.08Å; S85-L107 VanDerWaalsContact O-CD2 3.27Å; S85-L107 WeakPolarHBondContact O-CD2 3.28Å
86F95Very high85.8Confident0 Ų050.4 Ų50.40%030%0.3CS..Hα-helixtrans-66.7-40.7177.1-70.56.2000111.2L13 W33 E39 E40 H41 A42 F45 R82 Q83 V88 A89 A90L13-F86 HydrophobicContact CD2-CE2 4.16Å; L13-F86 HydrophobicContact CD2-CZ 3.79Å; W33-F86 HydrophobicContact CZ3-CE1 4.06Å; W33-F86 AromaticContact CZ3-CZ 3.91Å; W33-F86 HydrophobicContact CZ3-CZ 3.91Å; E39-F86 HydrophobicContact CB-CD2 4.22Å; E39-F86 HydrophobicContact CB-CE2 3.97Å; E40-F86 WeakPolarHBondContact O-CD2 3.16Å; H41-F86 HydrophobicContact CB-CB 4.08Å; A42-F86 HydrophobicContact CB-CD2 4.33Å; A42-F86 HydrophobicContact CB-CE2 3.98Å; F45-F86 HydrophobicContact CB-CD1 3.68Å; F45-F86 HydrophobicContact CB-CE1 4.06Å; F45-F86 HydrophobicContact CB-CG 4.1Å; F45-F86 AromaticContact CD1-CD1 3.57Å; F45-F86 HydrophobicContact CD1-CD1 3.57Å; F45-F86 AromaticContact CD1-CE1 3.14Å; F45-F86 HydrophobicContact CD1-CE1 3.14Å; F45-F86 AromaticContact CD1-CZ 3.93Å; F45-F86 HydrophobicContact CD1-CZ 3.93Å; F45-F86 AromaticContact CD2-CD1 3.8Å; F45-F86 HydrophobicContact CD2-CD1 3.8Å; F45-F86 HydrophobicContact CD2-CE1 4.19Å; F45-F86 HydrophobicContact CE1-CD1 4.09Å; F45-F86 AromaticContact CE1-CE1 3.47Å; F45-F86 HydrophobicContact CE1-CE1 3.47Å; F45-F86 VanDerWaalsContact CE1-CE1 3.47Å; F45-F86 HydrophobicContact CE1-CZ 4.39Å; F45-F86 HydrophobicContact CE2-CD1 4.32Å; F45-F86 HydrophobicContact CE2-CE1 4.47Å; F45-F86 AromaticContact CG-CD1 3.38Å; F45-F86 HydrophobicContact CG-CD1 3.38Å; F45-F86 AromaticContact CG-CE1 3.53Å; F45-F86 HydrophobicContact CG-CE1 3.53Å; F45-F86 HydrophobicContact CG-CG 4.29Å; F45-F86 HydrophobicContact CG-CZ 4.48Å; F45-F86 HydrophobicContact CZ-CD1 4.42Å; F45-F86 HydrophobicContact CZ-CE1 4.12Å; R82-F86 HydrophobicContact CG-CD1 4.13Å; R82-F86 HydrophobicContact CG-CD2 4.42Å; R82-F86 HydrophobicContact CG-CE1 3.52Å; R82-F86 HydrophobicContact CG-CE2 3.89Å; R82-F86 HydrophobicContact CG-CZ 3.4Å; R82-F86 VanDerWaalsContact CG-CZ 3.4Å; R82-F86 VanDerWaalsContact O-CD1 3.31Å; R82-F86 WeakPolarHBondContact O-CD1 3.31Å; R82-F86 WeakPolarHBondContact O-CG 3.46Å; R82-F86 PolarHBondContact O-N 2.96Å; Q83-F86 PolarHBondContact O-N 3.47Å; F86-V88 PolarHBondContact O-N 3.24Å; F86-A89 PolarHBondContact O-N 3.28Å; F86-A90 PolarHBondContact O-N 2.99Å
87A92.9Very high83.9Confident45 Ų4555.4 Ų55.437%0.37232%0.319SS..Hα-helixtrans-61.8-41.5173.900000112.5Q83 Q84 A89 A90 D91Q83-A87 PolarHBondContact O-N 3.22Å; Q84-A87 PolarHBondContact O-N 3.42Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 3.05Å; A87-A90 WeakPolarHBondContact O-CB 3.44Å; A87-A90 PolarHBondContact O-N 3.14Å; A87-D91 PolarHBondContact O-N 3.5Å
88V91.5Very high82.4Confident32 Ų3256.6 Ų56.619%0.19431%0.314CS..Hα-helixtrans-61.6-41.5175.1167.10000111.9Q84 S85 F86 A90 A92 N106 L107Q84-V88 WeakPolarHBondContact O-CG2 3.39Å; Q84-V88 PolarHBondContact O-N 3.33Å; S85-V88 PolarHBondContact O-N 3.25Å; F86-V88 PolarHBondContact O-N 3.24Å; V88-A90 VanDerWaalsContact C-N 3.31Å; V88-A90 PolarHBondContact O-N 2.99Å; V88-A92 WeakPolarHBondContact O-CB 3.47Å; V88-A92 PolarHBondContact O-N 3.17Å; V88-A92 VanDerWaalsContact O-N 3.15Å; V88-N106 HydrophobicContact CG1-CB 3.7Å; V88-L107 HydrophobicContact CB-CD2 4Å; V88-L107 HydrophobicContact CG1-CD2 3.85Å; V88-L107 HydrophobicContact CG1-CG 4.07Å
89A88.7Confident81.6Confident0 Ų059.9 Ų59.90%032%0.322CS..Hα-helixtrans-66.5-34.5175.900000112.1F45 F48 S85 F86 A87 T93F45-A89 HydrophobicContact CB-CB 4.29Å; F45-A89 HydrophobicContact CD2-CB 3.78Å; F48-A89 HydrophobicContact CB-CB 4.24Å; F48-A89 HydrophobicContact CG-CB 4.47Å; S85-A89 PolarHBondContact O-N 3.28Å; S85-A89 VanDerWaalsContact O-N 3.08Å; F86-A89 PolarHBondContact O-N 3.28Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 3.05Å; A89-T93 PolarHBondContact O-N 2.66Å; A89-T93 PolarHBondContact O-OG1 2.96Å
90A88.3Confident81Confident5 Ų557.7 Ų57.74%0.04130%0.303CS..Hα-helixtrans-64.5-51.4175.200000112.7H41 T44 F86 A87 V88 A92 T93 E94H41-A90 HydrophobicContact CB-CB 3.93Å; H41-A90 WeakPolarHBondContact ND1-CB 3.5Å; T44-A90 HydrophobicContact CG2-CB 4.28Å; F86-A90 PolarHBondContact O-N 2.99Å; A87-A90 WeakPolarHBondContact O-CB 3.44Å; A87-A90 PolarHBondContact O-N 3.14Å; V88-A90 VanDerWaalsContact C-N 3.31Å; V88-A90 PolarHBondContact O-N 2.99Å; A90-A92 PolarHBondContact O-N 3.06Å; A90-T93 PolarHBondContact O-N 3.26Å; A90-T93 PolarHBondContact O-OG1 3.33Å; A90-E94 PolarHBondContact O-N 3.25Å
91D83.3Confident80.6Confident107 Ų10752.3 Ų52.357%0.57228%0.278SS*.Hα-helixtrans-58.4-36.1178.1-175.265.1000112.2A87 E94 S95A87-D91 PolarHBondContact O-N 3.5Å; D91-E94 PolarHBondContact O-N 3.32Å; D91-S95 PolarHBondContact O-N 3.3Å; D91-S95 PolarHBondContact O-OG 2.9Å; D91-S95 VanDerWaalsContact O-OG 3.12Å
92A74.8Confident80.1Confident10 Ų1054 Ų548%0.08329%0.286CS..Hα-helixtrans-65.1-42.1174.600000113.6V88 A90 E94 S95 C96 T103V88-A92 WeakPolarHBondContact O-CB 3.47Å; V88-A92 PolarHBondContact O-N 3.17Å; V88-A92 VanDerWaalsContact O-N 3.15Å; A90-A92 PolarHBondContact O-N 3.06Å; A92-E94 VanDerWaalsContact C-N 3.28Å; A92-E94 PolarHBondContact O-N 3.03Å; A92-S95 PolarHBondContact O-N 2.98Å; A92-S95 PolarHBondContact O-OG 3.2Å; A92-C96 PolarHBondContact O-N 3.15Å; A92-T103 HydrophobicContact CB-CG2 3.6Å; A92-T103 WeakPolarHBondContact CB-OG1 3Å
93T65.5Low79.8Confident55 Ų5553.7 Ų53.734%0.33729%0.286SS..Hα-helixtrans-67.4-29.3178.952.30000113.2T44 A89 A90T44-T93 HydrophobicContact CG2-CG2 3.57Å; T44-T93 WeakPolarHBondContact CG2-OG1 3.41Å; A89-T93 PolarHBondContact O-N 2.66Å; A89-T93 PolarHBondContact O-OG1 2.96Å; A90-T93 PolarHBondContact O-N 3.26Å; A90-T93 PolarHBondContact O-OG1 3.33Å
94E58.2Low79.5Confident161 Ų16148.1 Ų48.175%0.75226%0.26SS*.Hα-helixtrans-71.9-35173.6-67.5-174.9-175.700112.1A90 D91 A92A90-E94 PolarHBondContact O-N 3.25Å; D91-E94 PolarHBondContact O-N 3.32Å; A92-E94 VanDerWaalsContact C-N 3.28Å; A92-E94 PolarHBondContact O-N 3.03Å
95S55.9Low79.3Confident52 Ų5245 Ų4536%0.36425%0.245SC..Hα-helixtrans-88.2-20.4-168.162.50000115.8D91 A92D91-S95 PolarHBondContact O-N 3.3Å; D91-S95 PolarHBondContact O-OG 2.9Å; D91-S95 VanDerWaalsContact O-OG 3.12Å; A92-S95 PolarHBondContact O-N 2.98Å; A92-S95 PolarHBondContact O-OG 3.2Å
96C54.6Low79.1Confident74 Ų7447.3 Ų47.350%0.526%0.257SS..  trans169.1131.5162.1-950000107.9A92 D98 R99A92-C96 PolarHBondContact O-N 3.15Å; C96-D98 PolarHBondContact O-N 3.25Å; C96-R99 HydrophobicContact CB-CG 3.97Å; C96-R99 PolarHBondContact O-N 3.07Å
97E53.5Low79Confident139 Ų13947.3 Ų47.365%0.6526%0.257SS*.THydrogen-bonded Turntrans-50.6-35.6179.2-78.7-174.1-175.300113.1R51 R99R51-E97 VanDerWaalsContact NH1-CB 3.27Å; R51-E97 PolarHBondContact NH1-O 3.13Å; R51-E97 PolarHBondContact NH2-O 3.19Å; E97-R99 VanDerWaalsContact C-N 3.34Å; E97-R99 PolarHBondContact O-N 3.08Å
98D62.3Low79.1Confident115 Ų11546.5 Ų46.562%0.61524%0.244SC*.THydrogen-bonded Turntrans-83.92.5-170.6-61.9-29.1000115.9R51 C96 V100R51-D98 IonicContact NH2-OD1 3.8Å; C96-D98 PolarHBondContact O-N 3.25Å; D98-V100 PolarHBondContact O-N 2.68Å
99R78.5Confident79.2Confident91 Ų9147.4 Ų47.434%0.34325%0.246SC..  trans-8542.2-172.4-70-175.3158.4-159.1-6.4114.5C96 E97 L102 T103C96-R99 HydrophobicContact CB-CG 3.97Å; C96-R99 PolarHBondContact O-N 3.07Å; E97-R99 VanDerWaalsContact C-N 3.34Å; E97-R99 PolarHBondContact O-N 3.08Å; R99-L102 HydrophobicContact CB-CB 4.28Å; R99-L102 HydrophobicContact CB-CD2 4.34Å; R99-L102 HydrophobicContact CG-CD2 4.47Å; R99-T103 WeakPolarHBondContact O-CB 3.44Å; R99-T103 PolarHBondContact O-N 3.45Å; R99-T103 PolarHBondContact O-OG1 3.43Å
100V84Confident79.6Confident15 Ų1548.4 Ų48.49%0.09125%0.252CS..Hα-helixtrans-64.9-43-174.8177.70000112.3F48 R51 L52 D98 T103 W104 I158F48-V100 HydrophobicContact CE2-CG1 4.05Å; R51-V100 HydrophobicContact CB-CG2 4.17Å; L52-V100 HydrophobicContact CB-CG1 4.28Å; L52-V100 HydrophobicContact CD1-CG1 3.57Å; D98-V100 PolarHBondContact O-N 2.68Å; V100-T103 PolarHBondContact O-N 3.28Å; V100-W104 WeakPolarHBondContact O-CB 3.38Å; V100-W104 PolarHBondContact O-N 3.04Å; V100-I158 HydrophobicContact CG1-CB 4.24Å; V100-I158 HydrophobicContact CG1-CG1 4.48Å
101A85.2Confident79.9Confident0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-67.3-44.3-179.900000111.9T103 W104 N105 E142 E157 I158 Y161A101-T103 VanDerWaalsContact C-N 3.34Å; A101-T103 PolarHBondContact O-N 3.08Å; A101-W104 PolarHBondContact O-N 2.96Å; A101-N105 PolarHBondContact O-N 3.29Å; A101-E142 HydrophobicContact CB-CG 4Å; A101-E157 HydrophobicContact CB-CG 4.26Å; A101-E157 WeakPolarHBondContact CB-OE1 3.47Å; A101-I158 HydrophobicContact CB-CD1 4.28Å; A101-Y161 HydrophobicContact CB-CD1 3.48Å; A101-Y161 VanDerWaalsContact CB-CD1 3.48Å; A101-Y161 HydrophobicContact CB-CE1 4.05Å; A101-Y161 HydrophobicContact CB-CG 3.87Å
102L86.8Confident80.5Confident36 Ų3644.7 Ų44.719%0.18823%0.231CC..Hα-helixtrans-57.5-47.5173.5176.765.2000111.3R99 W104 N105 N106 E142R99-L102 HydrophobicContact CB-CB 4.28Å; R99-L102 HydrophobicContact CB-CD2 4.34Å; R99-L102 HydrophobicContact CG-CD2 4.47Å; L102-W104 VanDerWaalsContact C-N 3.32Å; L102-W104 PolarHBondContact O-N 3.42Å; L102-N105 PolarHBondContact O-N 3.23Å; L102-N106 PolarHBondContact O-N 3.43Å; L102-E142 HydrophobicContact CB-CG 4.48Å; L102-E142 WeakPolarHBondContact CD1-OE2 3.31Å
103T89.6Confident81.6Confident4 Ų446.2 Ų46.23%0.02524%0.24CC..Hα-helixtrans-60.9-43.6179.6-51.70000110.9F48 A92 R99 V100 A101 N105 N106 L107F48-T103 HydrophobicContact CD2-CG2 3.67Å; F48-T103 HydrophobicContact CE1-CG2 4.47Å; F48-T103 HydrophobicContact CE2-CG2 3.46Å; F48-T103 VanDerWaalsContact CE2-CG2 3.46Å; F48-T103 HydrophobicContact CG-CG2 4.27Å; F48-T103 HydrophobicContact CZ-CG2 3.9Å; A92-T103 HydrophobicContact CB-CG2 3.6Å; A92-T103 WeakPolarHBondContact CB-OG1 3Å; R99-T103 WeakPolarHBondContact O-CB 3.44Å; R99-T103 PolarHBondContact O-N 3.45Å; R99-T103 PolarHBondContact O-OG1 3.43Å; V100-T103 PolarHBondContact O-N 3.28Å; A101-T103 VanDerWaalsContact C-N 3.34Å; A101-T103 PolarHBondContact O-N 3.08Å; T103-N105 VanDerWaalsContact C-N 3.34Å; T103-N105 PolarHBondContact O-N 3.5Å; T103-N106 PolarHBondContact O-N 3.37Å; T103-L107 HydrophobicContact CG2-CD1 4.25Å; T103-L107 HydrophobicContact CG2-CG 4.46Å; T103-L107 VanDerWaalsContact O-CG 3.27Å; T103-L107 WeakPolarHBondContact O-CG 3.41Å; T103-L107 PolarHBondContact O-N 3.03Å
104W90.2Very high83.1Confident5 Ų544.1 Ų44.12%0.01923%0.226CC..Hα-helixtrans-59.1-43.8175.2175-124.4000112.5F48 L52 F64 V68 W71 V100 A101 L102 L107 R108F48-W104 HydrophobicContact CZ-CB 4.38Å; L52-W104 HydrophobicContact CD1-CB 4.31Å; L52-W104 HydrophobicContact CD2-CE3 4.22Å; F64-W104 HydrophobicContact CE2-CZ2 4.46Å; F64-W104 AromaticContact CE2-NE1 3.79Å; V68-W104 HydrophobicContact CG2-CH2 4.05Å; V68-W104 HydrophobicContact CG2-CZ2 4.26Å; V68-W104 HydrophobicContact CG2-CZ3 4.4Å; W71-W104 HydrophobicContact CB-CH2 4.03Å; W71-W104 HydrophobicContact CB-CZ3 4.48Å; W71-W104 HydrophobicContact CD2-CH2 4.3Å; W71-W104 AromaticContact CD2-CZ3 3.89Å; W71-W104 HydrophobicContact CD2-CZ3 3.89Å; W71-W104 AromaticContact CE3-CZ3 3.97Å; W71-W104 HydrophobicContact CE3-CZ3 3.97Å; W71-W104 HydrophobicContact CG-CH2 4.02Å; W71-W104 HydrophobicContact CG-CZ3 4.08Å; V100-W104 WeakPolarHBondContact O-CB 3.38Å; V100-W104 PolarHBondContact O-N 3.04Å; A101-W104 PolarHBondContact O-N 2.96Å; L102-W104 VanDerWaalsContact C-N 3.32Å; L102-W104 PolarHBondContact O-N 3.42Å; W104-L107 HydrophobicContact CE3-CB 4.48Å; W104-L107 HydrophobicContact CE3-CD1 4.5Å; W104-L107 PolarHBondContact O-N 3.4Å; W104-R108 HydrophobicContact CD2-CG 4.23Å; W104-R108 HydrophobicContact CE3-CG 4.42Å; W104-R108 HydrophobicContact CH2-CG 4.09Å; W104-R108 HydrophobicContact CZ2-CG 3.88Å; W104-R108 HydrophobicContact CZ3-CG 4.35Å; W104-R108 WeakPolarHBondContact O-CG 3.23Å; W104-R108 PolarHBondContact O-N 3.48Å
105N90.2Very high84.8Confident0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-64.3-40.7175.9-73.3-18000112.4A101 L102 T103 R108 K109 Y161A101-N105 PolarHBondContact O-N 3.29Å; L102-N105 PolarHBondContact O-N 3.23Å; T103-N105 VanDerWaalsContact C-N 3.34Å; T103-N105 PolarHBondContact O-N 3.5Å; N105-R108 PolarHBondContact O-N 2.99Å; N105-K109 WeakPolarHBondContact O-CB 3.27Å; N105-K109 PolarHBondContact O-N 3.39Å; N105-Y161 PolarHBondContact ND2-OH 2.83Å; N105-Y161 PolarHBondContact OD1-OH 3.18Å
106N92.1Very high86.8Confident48 Ų4835.6 Ų35.626%0.25718%0.18SC..Hα-helixtrans-63.9-41.3176.1-73-19.2000111.7V88 L102 T103 R108 K109 T110V88-N106 HydrophobicContact CG1-CB 3.7Å; L102-N106 PolarHBondContact O-N 3.43Å; T103-N106 PolarHBondContact O-N 3.37Å; N106-R108 VanDerWaalsContact C-N 3.35Å; N106-R108 PolarHBondContact O-N 2.89Å; N106-K109 WeakPolarHBondContact O-CB 3.48Å; N106-K109 PolarHBondContact O-N 2.97Å; N106-T110 PolarHBondContact O-N 2.71Å; N106-T110 PolarHBondContact O-OG1 3.37Å
107L93.3Very high88.7Confident0 Ų034.8 Ų34.80%018%0.175CC..Hα-helixtrans-62.4-39.8175.1-72.4172.7000112.8F45 F48 W71 S85 V88 T103 W104 T110 L111F45-L107 HydrophobicContact CE2-CD1 4.4Å; F48-L107 HydrophobicContact CD1-CD1 3.92Å; F48-L107 HydrophobicContact CE1-CD1 3.22Å; F48-L107 HydrophobicContact CZ-CD1 3.67Å; W71-L107 HydrophobicContact CH2-CB 4.13Å; W71-L107 HydrophobicContact CH2-CD1 3.88Å; W71-L107 HydrophobicContact CH2-CD2 3.91Å; W71-L107 HydrophobicContact CH2-CG 4.2Å; W71-L107 HydrophobicContact CZ2-CB 3.62Å; W71-L107 HydrophobicContact CZ2-CD1 4.24Å; W71-L107 HydrophobicContact CZ2-CD2 3.85Å; W71-L107 HydrophobicContact CZ2-CG 4.11Å; W71-L107 PolarHBondContact NE1-O 2.91Å; S85-L107 VanDerWaalsContact O-CD2 3.27Å; S85-L107 WeakPolarHBondContact O-CD2 3.28Å; V88-L107 HydrophobicContact CB-CD2 4Å; V88-L107 HydrophobicContact CG1-CD2 3.85Å; V88-L107 HydrophobicContact CG1-CG 4.07Å; T103-L107 HydrophobicContact CG2-CD1 4.25Å; T103-L107 HydrophobicContact CG2-CG 4.46Å; T103-L107 VanDerWaalsContact O-CG 3.27Å; T103-L107 WeakPolarHBondContact O-CG 3.41Å; T103-L107 PolarHBondContact O-N 3.03Å; W104-L107 HydrophobicContact CE3-CB 4.48Å; W104-L107 HydrophobicContact CE3-CD1 4.5Å; W104-L107 PolarHBondContact O-N 3.4Å; L107-T110 PolarHBondContact O-N 2.9Å; L107-L111 PolarHBondContact O-N 3.49Å; L107-L111 VanDerWaalsContact O-N 3.13Å
108R93.7Very high90.7Very high27 Ų2734.5 Ų34.510%0.10217%0.174CC..Hα-helixtrans-65.4-41.1173-70.6174.758.5177.33.8111.8W104 N105 N106 L111 L112 M135 L138 T176W104-R108 HydrophobicContact CD2-CG 4.23Å; W104-R108 HydrophobicContact CE3-CG 4.42Å; W104-R108 HydrophobicContact CH2-CG 4.09Å; W104-R108 HydrophobicContact CZ2-CG 3.88Å; W104-R108 HydrophobicContact CZ3-CG 4.35Å; W104-R108 WeakPolarHBondContact O-CG 3.23Å; W104-R108 PolarHBondContact O-N 3.48Å; N105-R108 PolarHBondContact O-N 2.99Å; N106-R108 VanDerWaalsContact C-N 3.35Å; N106-R108 PolarHBondContact O-N 2.89Å; R108-L111 PolarHBondContact O-N 3Å; R108-L112 WeakPolarHBondContact O-CG 3.27Å; R108-L112 PolarHBondContact O-N 3.25Å; R108-M135 HydrophobicContact CB-CE 4.36Å; R108-M135 HydrophobicContact CB-SD 4.49Å; R108-L138 VanDerWaalsContact NH1-CD1 3.29Å; R108-T176 PolarHBondContact NH2-OG1 3.5Å
109K94.3Very high92.3Very high52 Ų5229.9 Ų29.923%0.22615%0.154CC..Hα-helixtrans-60.9-45.3175.1-173.4-176.3-60175.40111N105 N106 L111 L112 V113 E139N105-K109 WeakPolarHBondContact O-CB 3.27Å; N105-K109 PolarHBondContact O-N 3.39Å; N106-K109 WeakPolarHBondContact O-CB 3.48Å; N106-K109 PolarHBondContact O-N 2.97Å; K109-L111 VanDerWaalsContact C-N 3.33Å; K109-L111 PolarHBondContact O-N 2.7Å; K109-L112 WeakPolarHBondContact O-CB 3.38Å; K109-L112 PolarHBondContact O-N 3.07Å; K109-V113 WeakPolarHBondContact O-CG2 3.29Å; K109-V113 PolarHBondContact O-N 3.34Å; K109-E139 WeakPolarHBondContact CE-OE1 3.39Å; K109-E139 IonicContact NZ-OE1 2.74Å; K109-E139 PolarHBondContact NZ-OE1 3.44Å
110T96.1Very high93.1Very high20 Ų2030.3 Ų30.312%0.12316%0.162CC..Hα-helixtrans-57.1-44.9175.3-59.20000111.9L81 Q84 N106 L107 L112 V113 H114L81-T110 HydrophobicContact CD1-CG2 4.09Å; Q84-T110 HydrophobicContact CB-CG2 3.67Å; N106-T110 PolarHBondContact O-N 2.71Å; N106-T110 PolarHBondContact O-OG1 3.37Å; L107-T110 PolarHBondContact O-N 2.9Å; T110-L112 VanDerWaalsContact C-N 3.35Å; T110-L112 PolarHBondContact O-N 2.8Å; T110-V113 PolarHBondContact O-N 3.25Å; T110-H114 PolarHBondContact O-N 2.91Å
111L96.2Very high93.7Very high16 Ų1630.1 Ų30.18%0.08416%0.16CC..Hα-helixtrans-58.8-45.6173.5169.965.1000111.9K74 L81 L107 R108 K109 V113 H114 Q115K74-L111 HydrophobicContact CB-CD1 4.24Å; K74-L111 HydrophobicContact CD-CD1 3.64Å; K74-L111 HydrophobicContact CD-CD2 3.6Å; K74-L111 HydrophobicContact CD-CG 4.27Å; L81-L111 HydrophobicContact CD1-CB 4.34Å; L81-L111 HydrophobicContact CD1-CD1 4.46Å; L81-L111 HydrophobicContact CD2-CD1 3.6Å; L107-L111 PolarHBondContact O-N 3.49Å; L107-L111 VanDerWaalsContact O-N 3.13Å; R108-L111 PolarHBondContact O-N 3Å; K109-L111 VanDerWaalsContact C-N 3.33Å; K109-L111 PolarHBondContact O-N 2.7Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 3.45Å; L111-H114 PolarHBondContact O-N 3.49Å; L111-Q115 HydrophobicContact CD1-CG 3.8Å; L111-Q115 HydrophobicContact CG-CG 4.34Å; L111-Q115 VanDerWaalsContact O-CG 3.32Å; L111-Q115 WeakPolarHBondContact O-CG 3.35Å; L111-Q115 PolarHBondContact O-N 2.95Å
112L96Very high94Very high18 Ų1831.5 Ų31.59%0.09417%0.167CC..Hα-helixtrans-64-37.8179.1-69.9171.3000112R108 K109 T110 A116 F121 L131 M135 W216 P218R108-L112 WeakPolarHBondContact O-CG 3.27Å; R108-L112 PolarHBondContact O-N 3.25Å; K109-L112 WeakPolarHBondContact O-CB 3.38Å; K109-L112 PolarHBondContact O-N 3.07Å; T110-L112 VanDerWaalsContact C-N 3.35Å; T110-L112 PolarHBondContact O-N 2.8Å; L112-A116 WeakPolarHBondContact O-CB 3.38Å; L112-A116 PolarHBondContact O-N 2.88Å; L112-F121 HydrophobicContact CD2-CZ 4.2Å; L112-L131 HydrophobicContact CD2-CD1 4.13Å; L112-M135 HydrophobicContact CD1-CG 3.77Å; L112-M135 HydrophobicContact CD1-SD 4.2Å; L112-W216 HydrophobicContact CD1-CH2 4.12Å; L112-W216 HydrophobicContact CD1-CZ2 3.77Å; L112-P218 HydrophobicContact CB-CB 4.17Å; L112-P218 HydrophobicContact CB-CG 3.64Å
113V97.1Very high94.3Very high43 Ų4337.8 Ų37.826%0.26120%0.201SC..Hα-helixtrans-62.3-46.3174.5174.10000110.2K109 T110 L111 A116 S117 P218K109-V113 WeakPolarHBondContact O-CG2 3.29Å; K109-V113 PolarHBondContact O-N 3.34Å; T110-V113 PolarHBondContact O-N 3.25Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 3.45Å; V113-A116 PolarHBondContact O-N 3.43Å; V113-S117 WeakPolarHBondContact O-CB 3.48Å; V113-S117 PolarHBondContact O-N 3.45Å; V113-S117 PolarHBondContact O-OG 3.48Å; V113-P218 HydrophobicContact CG2-CG 3.7Å
114H96.5Very high94.5Very high11 Ų1141.8 Ų41.85%0.05122%0.222CC..Hα-helixtrans-61.1-51.5178.7-175.369.3000111.1S78 L81 T110 L111 A116 S117 E118S78-H114 PolarHBondContact OG-CE1 2.66Å; S78-H114 VanDerWaalsContact OG-CE1 3.25Å; S78-H114 PolarHBondContact OG-NE2 3.12Å; L81-H114 HydrophobicContact CD1-CB 3.95Å; T110-H114 PolarHBondContact O-N 2.91Å; L111-H114 PolarHBondContact O-N 3.49Å; H114-A116 VanDerWaalsContact C-N 3.32Å; H114-A116 PolarHBondContact O-N 3.4Å; H114-S117 CarbonylContact O-C 3.59Å; H114-S117 WeakPolarHBondContact O-CA 3.44Å; H114-S117 WeakPolarHBondContact O-CB 3.27Å; H114-S117 PolarHBondContact O-N 3.26Å; H114-E118 IonicContact CD2-OE2 3.67Å; H114-E118 IonicContact NE2-OE1 3.77Å; H114-E118 IonicContact NE2-OE2 2.93Å; H114-E118 WeakPolarHBondContact O-CG 3.31Å; H114-E118 PolarHBondContact O-N 2.96Å
115Q95.6Very high94.6Very high34 Ų3441.9 Ų41.916%0.15922%0.224CC..Hα-helixtrans-62.1-38.1179.1-68.4-173.7-58.900112.8L111 S117 E118 G119 L120 F121L111-Q115 HydrophobicContact CD1-CG 3.8Å; L111-Q115 HydrophobicContact CG-CG 4.34Å; L111-Q115 VanDerWaalsContact O-CG 3.32Å; L111-Q115 WeakPolarHBondContact O-CG 3.35Å; L111-Q115 PolarHBondContact O-N 2.95Å; Q115-S117 VanDerWaalsContact C-N 3.34Å; Q115-E118 PolarHBondContact O-N 3.46Å; Q115-G119 PolarHBondContact O-N 3.18Å; Q115-L120 HydrophobicContact CB-CB 4.18Å; Q115-L120 HydrophobicContact CB-CD2 3.75Å; Q115-L120 HydrophobicContact CG-CD2 4.21Å; Q115-L120 WeakPolarHBondContact O-CB 3.36Å; Q115-L120 PolarHBondContact O-N 3.37Å; Q115-F121 HydrophobicContact CB-CE2 4.33Å
116A96.1Very high94.8Very high0 Ų043 Ų430%024%0.236CC..Hα-helixtrans-64.1-39.817300000111.8L112 V113 H114 E118 G119 F121 P218 A221 V222 R225L112-A116 WeakPolarHBondContact O-CB 3.38Å; L112-A116 PolarHBondContact O-N 2.88Å; V113-A116 PolarHBondContact O-N 3.43Å; H114-A116 VanDerWaalsContact C-N 3.32Å; H114-A116 PolarHBondContact O-N 3.4Å; A116-E118 VanDerWaalsContact C-N 3.27Å; A116-E118 PolarHBondContact O-N 3.35Å; A116-G119 PolarHBondContact O-N 3.17Å; A116-F121 HydrophobicContact CB-CD2 3.82Å; A116-F121 HydrophobicContact CB-CE2 4.23Å; A116-P218 HydrophobicContact CB-CB 4.21Å; A116-P218 WeakPolarHBondContact CB-O 3.49Å; A116-A221 HydrophobicContact CB-CB 3.72Å; A116-V222 HydrophobicContact CB-CG2 4.06Å; A116-R225 VanDerWaalsContact O-CD 3.23Å; A116-R225 WeakPolarHBondContact O-CD 3.42Å
117S95.2Very high94.9Very high57 Ų5742.3 Ų42.340%0.39924%0.236SC..Hα-helixtrans-68.2-26.3177-56.30000112.8V113 H114 Q115 G119 A221 R225V113-S117 WeakPolarHBondContact O-CB 3.48Å; V113-S117 PolarHBondContact O-N 3.45Å; V113-S117 PolarHBondContact O-OG 3.48Å; H114-S117 CarbonylContact O-C 3.59Å; H114-S117 WeakPolarHBondContact O-CA 3.44Å; H114-S117 WeakPolarHBondContact O-CB 3.27Å; H114-S117 PolarHBondContact O-N 3.26Å; Q115-S117 VanDerWaalsContact C-N 3.34Å; S117-G119 VanDerWaalsContact C-N 3.27Å; S117-A221 WeakPolarHBondContact OG-CB 3.22Å; S117-R225 VanDerWaalsContact O-CD 3.29Å; S117-R225 WeakPolarHBondContact O-CD 3.12Å; S117-R225 PolarHBondContact O-NH1 3.46Å
118E95.7Very high95Very high133 Ų13342.3 Ų42.362%0.62124%0.236SC*.THydrogen-bonded Turntrans-80.8-4.5171-66.7-168.5120.100113.6H114 Q115 A116H114-E118 IonicContact CD2-OE2 3.67Å; H114-E118 IonicContact NE2-OE1 3.77Å; H114-E118 IonicContact NE2-OE2 2.93Å; H114-E118 WeakPolarHBondContact O-CG 3.31Å; H114-E118 PolarHBondContact O-N 2.96Å; Q115-E118 PolarHBondContact O-N 3.46Å; A116-E118 VanDerWaalsContact C-N 3.27Å; A116-E118 PolarHBondContact O-N 3.35Å
119G95.6Very high95.1Very high18 Ų1842.4 Ų42.419%0.18624%0.238CC..THydrogen-bonded Turntrans88.716.4175.200000115.4Q115 A116 S117 F121 D122 R225Q115-G119 PolarHBondContact O-N 3.18Å; A116-G119 PolarHBondContact O-N 3.17Å; S117-G119 VanDerWaalsContact C-N 3.27Å; G119-F121 PolarHBondContact O-N 2.91Å; G119-F121 VanDerWaalsContact O-N 3.11Å; G119-D122 VanDerWaalsContact CA-CG 3.43Å; G119-D122 WeakPolarHBondContact CA-OD1 3.48Å; G119-D122 VanDerWaalsContact CA-OD2 3.31Å; G119-D122 WeakPolarHBondContact CA-OD2 3.28Å; G119-D122 PolarHBondContact O-N 3.05Å; G119-R225 VanDerWaalsContact CA-NE 3.34Å
120L95.5Very high95.1Very high99 Ų9943.6 Ų43.652%0.51825%0.253SS..THydrogen-bonded Turntrans-55-32.3-179.9-178.761.1000112.9Q115Q115-L120 HydrophobicContact CB-CB 4.18Å; Q115-L120 HydrophobicContact CB-CD2 3.75Å; Q115-L120 HydrophobicContact CG-CD2 4.21Å; Q115-L120 WeakPolarHBondContact O-CB 3.36Å; Q115-L120 PolarHBondContact O-N 3.37Å
121F95.6Very high95.1Very high12 Ų1245 Ų455%0.05326%0.26CS..THydrogen-bonded Turntrans-110.66.7-173.6-52.6-67.4000113.8L112 Q115 A116 G119 N123 D124 L128 L131 V222L112-F121 HydrophobicContact CD2-CZ 4.2Å; Q115-F121 HydrophobicContact CB-CE2 4.33Å; A116-F121 HydrophobicContact CB-CD2 3.82Å; A116-F121 HydrophobicContact CB-CE2 4.23Å; G119-F121 PolarHBondContact O-N 2.91Å; G119-F121 VanDerWaalsContact O-N 3.11Å; F121-N123 PolarHBondContact O-N 3.33Å; F121-N123 VanDerWaalsContact O-N 3.12Å; F121-D124 CarbonylContact O-C 3.5Å; F121-D124 PolarHBondContact O-N 2.81Å; F121-D124 VanDerWaalsContact O-N 3.08Å; F121-L128 HydrophobicContact CB-CB 4.02Å; F121-L128 HydrophobicContact CB-CD2 4.13Å; F121-L128 HydrophobicContact CD1-CB 4.19Å; F121-L128 HydrophobicContact CD2-CD1 3.83Å; F121-L128 HydrophobicContact CE2-CD1 4.06Å; F121-L128 HydrophobicContact CG-CB 4.05Å; F121-L128 HydrophobicContact CG-CD1 4.07Å; F121-L128 HydrophobicContact CG-CD2 4.45Å; F121-L128 HydrophobicContact CG-CG 4.44Å; F121-L128 HydrophobicContact CZ-CD1 4.5Å; F121-L131 HydrophobicContact CE1-CD1 3.48Å; F121-L131 VanDerWaalsContact CE1-CD1 3.48Å; F121-L131 HydrophobicContact CZ-CD1 3.57Å; F121-V222 HydrophobicContact CB-CG2 3.88Å
122D93.5Very high95.1Very high28 Ų2844.2 Ų44.215%0.1526%0.256CS..THydrogen-bonded Turntrans-55.9-36.4-173-75-5000112G119 R225 T226 R293G119-D122 VanDerWaalsContact CA-CG 3.43Å; G119-D122 WeakPolarHBondContact CA-OD1 3.48Å; G119-D122 VanDerWaalsContact CA-OD2 3.31Å; G119-D122 WeakPolarHBondContact CA-OD2 3.28Å; G119-D122 PolarHBondContact O-N 3.05Å; D122-R225 IonicContact OD1-NE 3.73Å; D122-R225 PolarHBondContact OD1-NE 3.45Å; D122-R225 IonicContact OD2-CZ 3.73Å; D122-R225 IonicContact OD2-NE 3.76Å; D122-R225 PolarHBondContact OD2-NE 2.86Å; D122-R225 IonicContact OD2-NH2 3.9Å; D122-R225 PolarHBondContact OD2-NH2 2.94Å; D122-T226 HydrophobicContact CB-CG2 3.66Å; D122-T226 VanDerWaalsContact CG-CG2 3.43Å; D122-T226 WeakPolarHBondContact OD1-CG2 3.4Å; D122-R293 PolarHBondContact O-NH1 3.37Å; D122-R293 VanDerWaalsContact O-NH1 3.13Å
123N91.9Very high95.1Very high169 Ų16947.2 Ų47.290%0.90427%0.266SS*.THydrogen-bonded Turntrans-107.74-179.6-60.1-50.9000114.2F121F121-N123 PolarHBondContact O-N 3.33Å; F121-N123 VanDerWaalsContact O-N 3.12Å
124D93.3Very high95.1Very high87 Ų8745.7 Ų45.747%0.46526%0.256SS..  trans-136.869.5-177.9-164.8-10.8000111.4F121 G126 A127 L128F121-D124 CarbonylContact O-C 3.5Å; F121-D124 PolarHBondContact O-N 2.81Å; F121-D124 VanDerWaalsContact O-N 3.08Å; D124-G126 PolarHBondContact O-N 2.7Å; D124-G126 PolarHBondContact OD1-N 2.89Å; D124-A127 HydrophobicContact CB-CB 4.19Å; D124-A127 PolarHBondContact O-N 3.18Å; D124-A127 WeakPolarHBondContact OD1-CB 3.39Å; D124-A127 PolarHBondContact OD1-N 3Å; D124-A127 WeakPolarHBondContact OD2-CB 3.43Å; D124-L128 PolarHBondContact O-N 2.87Å
125T93.3Very high95.1Very high8 Ų845.3 Ų45.35%0.04925%0.254CS..Hα-helixtrans-64.9-26.7176.3-55.60000112L128 L129 W219 L290 R293 L294T125-L128 PolarHBondContact O-N 2.98Å; T125-L129 WeakPolarHBondContact O-CB 3.44Å; T125-L129 PolarHBondContact O-N 3.28Å; T125-W219 HydrophobicContact CG2-CH2 4.27Å; T125-W219 HydrophobicContact CG2-CZ3 4.02Å; T125-L290 HydrophobicContact CG2-CD2 3.68Å; T125-R293 HydrophobicContact CG2-CB 4.42Å; T125-R293 VanDerWaalsContact OG1-CD 3.25Å; T125-R293 WeakPolarHBondContact OG1-CD 3.4Å; T125-R293 PolarHBondContact OG1-NH1 3.48Å; T125-L294 HydrophobicContact CG2-CD1 4.31Å; T125-L294 HydrophobicContact CG2-CG 4.44Å
126G93.8Very high95.2Very high24 Ų2443.8 Ų43.825%0.24725%0.247CC..Hα-helixtrans-66.5-42.5176.100000112.5D124 L129 S130D124-G126 PolarHBondContact O-N 2.7Å; D124-G126 PolarHBondContact OD1-N 2.89Å; G126-L129 PolarHBondContact O-N 3.34Å; G126-S130 WeakPolarHBondContact O-CB 3.48Å; G126-S130 PolarHBondContact O-N 2.88Å; G126-S130 PolarHBondContact O-OG 3.28Å
127A93.8Very high95.3Very high32 Ų3245 Ų4526%0.26425%0.252SS..Hα-helixtrans-64.2-43.7174.300000111.9D124 L129 S130 L131D124-A127 HydrophobicContact CB-CB 4.19Å; D124-A127 PolarHBondContact O-N 3.18Å; D124-A127 WeakPolarHBondContact OD1-CB 3.39Å; D124-A127 PolarHBondContact OD1-N 3Å; D124-A127 WeakPolarHBondContact OD2-CB 3.43Å; A127-L129 PolarHBondContact O-N 3.1Å; A127-S130 PolarHBondContact O-N 3.46Å; A127-L131 WeakPolarHBondContact O-CG 3.24Å; A127-L131 PolarHBondContact O-N 2.92Å
128L96Very high95.3Very high0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-64-41177.5-176.760.1000112.3F121 D124 T125 S130 L131 G132 F213 W216 P218 W219 V222F121-L128 HydrophobicContact CB-CB 4.02Å; F121-L128 HydrophobicContact CB-CD2 4.13Å; F121-L128 HydrophobicContact CD1-CB 4.19Å; F121-L128 HydrophobicContact CD2-CD1 3.83Å; F121-L128 HydrophobicContact CE2-CD1 4.06Å; F121-L128 HydrophobicContact CG-CB 4.05Å; F121-L128 HydrophobicContact CG-CD1 4.07Å; F121-L128 HydrophobicContact CG-CD2 4.45Å; F121-L128 HydrophobicContact CG-CG 4.44Å; F121-L128 HydrophobicContact CZ-CD1 4.5Å; D124-L128 PolarHBondContact O-N 2.87Å; T125-L128 PolarHBondContact O-N 2.98Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 3.2Å; L128-L131 PolarHBondContact O-N 3.02Å; L128-G132 PolarHBondContact O-N 3.46Å; L128-F213 HydrophobicContact CG-CZ 4.49Å; L128-W216 HydrophobicContact CD1-CE3 4.46Å; L128-W216 HydrophobicContact CD1-CH2 3.85Å; L128-W216 HydrophobicContact CD1-CZ3 3.44Å; L128-W216 VanDerWaalsContact CD1-CZ3 3.44Å; L128-W216 HydrophobicContact CG-CZ3 4.01Å; L128-P218 HydrophobicContact CD1-CB 4.09Å; L128-W219 HydrophobicContact CD2-CE3 3.87Å; L128-V222 HydrophobicContact CD2-CB 4.12Å; L128-V222 HydrophobicContact CD2-CG2 3.49Å; L128-V222 VanDerWaalsContact CD2-CG2 3.49Å
129L95.3Very high95.2Very high29 Ų2937.6 Ų37.615%0.15221%0.211CC..Hα-helixtrans-62.2-41.5175.8-171.269.4000111.2T125 G126 A127 G132 R133 F209 F213 L294T125-L129 WeakPolarHBondContact O-CB 3.44Å; T125-L129 PolarHBondContact O-N 3.28Å; G126-L129 PolarHBondContact O-N 3.34Å; A127-L129 PolarHBondContact O-N 3.1Å; L129-G132 PolarHBondContact O-N 2.85Å; L129-R133 WeakPolarHBondContact O-CG 3.22Å; L129-R133 PolarHBondContact O-N 3.18Å; L129-F209 HydrophobicContact CD1-CE1 3.78Å; L129-F209 HydrophobicContact CD1-CZ 3.88Å; L129-F213 HydrophobicContact CD1-CD1 4.19Å; L129-F213 HydrophobicContact CD1-CD2 4.27Å; L129-F213 HydrophobicContact CD1-CE1 3.94Å; L129-F213 HydrophobicContact CD1-CE2 4Å; L129-F213 HydrophobicContact CD1-CG 4.36Å; L129-F213 HydrophobicContact CD1-CZ 3.83Å; L129-L294 HydrophobicContact CD2-CD1 3.8Å
130S94.9Very high95.3Very high77 Ų7736.9 Ų36.954%0.53820%0.203SC..Hα-helixtrans-64.3-43.7176.9-58.20000111.9G126 A127 L128 R133 E134G126-S130 WeakPolarHBondContact O-CB 3.48Å; G126-S130 PolarHBondContact O-N 2.88Å; G126-S130 PolarHBondContact O-OG 3.28Å; A127-S130 PolarHBondContact O-N 3.46Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 3.2Å; S130-R133 PolarHBondContact O-N 2.9Å; S130-E134 PolarHBondContact O-N 3.37Å; S130-E134 VanDerWaalsContact O-N 3.08Å
131L95.5Very high95.3Very high49 Ų4932.2 Ų32.226%0.25718%0.178SC..Hα-helixtrans-63.5-40.2173.5-73.5170.4000112.1L112 F121 A127 L128 E134 M135 W216L112-L131 HydrophobicContact CD2-CD1 4.13Å; F121-L131 HydrophobicContact CE1-CD1 3.48Å; F121-L131 VanDerWaalsContact CE1-CD1 3.48Å; F121-L131 HydrophobicContact CZ-CD1 3.57Å; A127-L131 WeakPolarHBondContact O-CG 3.24Å; A127-L131 PolarHBondContact O-N 2.92Å; L128-L131 PolarHBondContact O-N 3.02Å; L131-E134 PolarHBondContact O-N 3.04Å; L131-M135 WeakPolarHBondContact O-CG 3.5Å; L131-M135 PolarHBondContact O-N 3.47Å; L131-W216 HydrophobicContact CB-CH2 4.4Å
132G96.5Very high95.2Very high0 Ų031.9 Ų31.90%018%0.177CC..Hα-helixtrans-59.8-45.217500000111.7L128 L129 E134 M135 F136 W212 W216L128-G132 PolarHBondContact O-N 3.46Å; L129-G132 PolarHBondContact O-N 2.85Å; G132-E134 VanDerWaalsContact C-N 3.35Å; G132-E134 PolarHBondContact O-N 3.36Å; G132-M135 PolarHBondContact O-N 2.86Å; G132-F136 WeakPolarHBondContact O-CB 3.49Å; G132-F136 PolarHBondContact O-N 3.32Å; G132-W212 WeakPolarHBondContact O-CZ3 3.37Å; G132-W216 VanDerWaalsContact CA-CZ3 3.48Å
133R97.2Very high95.2Very high82 Ų8233.4 Ų33.431%0.30919%0.185SC..Hα-helixtrans-60.6-44.5175.5-72.5-177-177-70.9-6.8112L129 S130 F136 R137 E205 F209L129-R133 WeakPolarHBondContact O-CG 3.22Å; L129-R133 PolarHBondContact O-N 3.18Å; S130-R133 PolarHBondContact O-N 2.9Å; R133-F136 PolarHBondContact O-N 3.02Å; R133-R137 WeakPolarHBondContact O-CG 3.39Å; R133-R137 PolarHBondContact O-N 3.19Å; R133-E205 WeakPolarHBondContact CD-OE1 3.47Å; R133-E205 IonicContact CZ-OE1 2.83Å; R133-E205 IonicContact NH1-OE1 2.99Å; R133-E205 PolarHBondContact NH1-OE1 3.13Å; R133-F209 HydrophobicContact CB-CE2 4.15Å; R133-F209 HydrophobicContact CB-CZ 4.32Å; R133-F209 HydrophobicContact CG-CD1 4.37Å; R133-F209 HydrophobicContact CG-CD2 4.12Å; R133-F209 HydrophobicContact CG-CE1 3.78Å; R133-F209 HydrophobicContact CG-CE2 3.52Å; R133-F209 HydrophobicContact CG-CZ 3.31Å; R133-F209 VanDerWaalsContact CZ-CE1 3.45Å; R133-F209 VanDerWaalsContact NH1-CD1 3.34Å
134E96.3Very high95.3Very high10 Ų1027 Ų275%0.04715%0.15CC..Hα-helixtrans-62.3-47.2177.2-175.5171.7174.100111.5S130 L131 G132 F136 R137 L138 L174 S175 T176S130-E134 PolarHBondContact O-N 3.37Å; S130-E134 VanDerWaalsContact O-N 3.08Å; L131-E134 PolarHBondContact O-N 3.04Å; G132-E134 VanDerWaalsContact C-N 3.35Å; G132-E134 PolarHBondContact O-N 3.36Å; E134-F136 VanDerWaalsContact C-N 3.33Å; E134-F136 PolarHBondContact O-N 3.45Å; E134-R137 PolarHBondContact O-N 3.33Å; E134-L138 HydrophobicContact CG-CD1 3.95Å; E134-L138 HydrophobicContact CG-CG 4.4Å; E134-L138 WeakPolarHBondContact O-CB 3.4Å; E134-L138 VanDerWaalsContact O-CG 3.22Å; E134-L138 WeakPolarHBondContact O-CG 3.45Å; E134-L138 PolarHBondContact O-N 3.07Å; E134-L174 HydrophobicContact CG-CD2 4.13Å; E134-S175 VanDerWaalsContact CD-N 3.33Å; E134-S175 PolarHBondContact OE1-N 3.06Å; E134-S175 WeakPolarHBondContact OE2-CB 3.29Å; E134-S175 PolarHBondContact OE2-N 3.4Å; E134-S175 PolarHBondContact OE2-OG 3.49Å; E134-T176 WeakPolarHBondContact OE1-CA 3.29Å; E134-T176 VanDerWaalsContact OE1-CB 3.26Å; E134-T176 WeakPolarHBondContact OE1-CB 3.37Å; E134-T176 WeakPolarHBondContact OE1-CG2 3.45Å; E134-T176 PolarHBondContact OE1-N 3.11Å; E134-T176 PolarHBondContact OE1-OG1 2.93Å
135M96.1Very high95.2Very high3 Ų322.8 Ų22.82%0.01513%0.128CC..Hα-helixtrans-61.2-40.7177.1-74.6-58.5-56.300112.4R108 L112 L131 G132 L138 E139 W212 W216R108-M135 HydrophobicContact CB-CE 4.36Å; R108-M135 HydrophobicContact CB-SD 4.49Å; L112-M135 HydrophobicContact CD1-CG 3.77Å; L112-M135 HydrophobicContact CD1-SD 4.2Å; L131-M135 WeakPolarHBondContact O-CG 3.5Å; L131-M135 PolarHBondContact O-N 3.47Å; G132-M135 PolarHBondContact O-N 2.86Å; M135-L138 WeakPolarHBondContact O-CB 3.27Å; M135-L138 PolarHBondContact O-N 3.04Å; M135-L138 HydrophobicContact SD-CD1 4.16Å; M135-E139 WeakPolarHBondContact O-CG 3.35Å; M135-E139 PolarHBondContact O-N 3.4Å; M135-W212 HydrophobicContact CB-CH2 3.94Å; M135-W216 HydrophobicContact CB-CZ2 4.17Å; M135-W216 HydrophobicContact CG-CZ2 3.99Å
136F97.5Very high95.1Very high3 Ų324.1 Ų24.11%0.01313%0.132CC..Hα-helixtrans-60.2-47.3175.6-179.9-97.8000112.1G132 R133 E134 L138 E139 I140 R204 E205 E208 F209 W212G132-F136 WeakPolarHBondContact O-CB 3.49Å; G132-F136 PolarHBondContact O-N 3.32Å; R133-F136 PolarHBondContact O-N 3.02Å; E134-F136 VanDerWaalsContact C-N 3.33Å; E134-F136 PolarHBondContact O-N 3.45Å; F136-L138 VanDerWaalsContact C-N 3.28Å; F136-L138 PolarHBondContact O-N 3.46Å; F136-E139 PolarHBondContact O-N 3.33Å; F136-I140 HydrophobicContact CD1-CD1 3.74Å; F136-I140 HydrophobicContact CE1-CD1 3.15Å; F136-I140 HydrophobicContact CE1-CG1 4.3Å; F136-I140 HydrophobicContact CE2-CD1 4.39Å; F136-I140 HydrophobicContact CZ-CD1 3.56Å; F136-I140 HydrophobicContact CZ-CG1 4.39Å; F136-I140 PolarHBondContact O-N 2.53Å; F136-R204 HydrophobicContact CE1-CB 4.35Å; F136-R204 HydrophobicContact CZ-CB 4.28Å; F136-E205 HydrophobicContact CD1-CB 4.12Å; F136-E205 HydrophobicContact CD1-CG 4.21Å; F136-E205 HydrophobicContact CE1-CB 3.88Å; F136-E205 HydrophobicContact CE1-CG 4.36Å; F136-E208 HydrophobicContact CE2-CB 4.32Å; F136-E208 HydrophobicContact CZ-CB 3.9Å; F136-F209 HydrophobicContact CB-CD2 3.91Å; F136-F209 HydrophobicContact CB-CE2 4.23Å; F136-F209 HydrophobicContact CD1-CD2 4.16Å; F136-F209 HydrophobicContact CD2-CD2 4.41Å; F136-F209 AromaticContact CG-CD2 3.89Å; F136-F209 HydrophobicContact CG-CD2 3.89Å; F136-W212 HydrophobicContact CB-CD2 4.25Å; F136-W212 HydrophobicContact CB-CE3 4Å; F136-W212 HydrophobicContact CB-CH2 4.21Å; F136-W212 HydrophobicContact CB-CZ2 4.41Å; F136-W212 HydrophobicContact CB-CZ3 4.01Å; F136-W212 HydrophobicContact CD2-CB 3.73Å; F136-W212 AromaticContact CD2-CD1 3.7Å; F136-W212 AromaticContact CD2-CD2 3.47Å; F136-W212 HydrophobicContact CD2-CD2 3.47Å; F136-W212 VanDerWaalsContact CD2-CD2 3.47Å; F136-W212 AromaticContact CD2-CE2 3.89Å; F136-W212 AromaticContact CD2-CE3 3.9Å; F136-W212 HydrophobicContact CD2-CE3 3.9Å; F136-W212 AromaticContact CD2-CG 3.37Å; F136-W212 HydrophobicContact CD2-CG 3.37Å; F136-W212 AromaticContact CD2-NE1 3.97Å; F136-W212 HydrophobicContact CE2-CB 3.67Å; F136-W212 AromaticContact CE2-CD1 3.92Å; F136-W212 HydrophobicContact CE2-CD2 4.29Å; F136-W212 AromaticContact CE2-CG 3.7Å; F136-W212 HydrophobicContact CE2-CG 3.7Å; F136-W212 HydrophobicContact CG-CD2 4.32Å; F136-W212 HydrophobicContact CG-CE3 4.36Å
137R97.8Very high95Very high26 Ų2627.2 Ų27.210%0.09814%0.143CC..Hα-helixtrans-61-40.2175.9-65.7167.2-176.315711111.1R133 E134 I140 L141 L172 L174 V201 E205R133-R137 WeakPolarHBondContact O-CG 3.39Å; R133-R137 PolarHBondContact O-N 3.19Å; E134-R137 PolarHBondContact O-N 3.33Å; R137-I140 PolarHBondContact O-N 3.16Å; R137-L141 WeakPolarHBondContact O-CG 3.25Å; R137-L141 PolarHBondContact O-N 3.32Å; R137-L172 VanDerWaalsContact CD-O 3.32Å; R137-L172 WeakPolarHBondContact CD-O 3.45Å; R137-L172 PolarHBondContact NH1-O 3.03Å; R137-L174 HydrophobicContact CB-CD2 3.93Å; R137-V201 HydrophobicContact CB-CG1 3.81Å; R137-V201 HydrophobicContact CG-CG1 3.57Å; R137-E205 IonicContact CZ-OE1 2.83Å; R137-E205 IonicContact CZ-OE2 2.99Å; R137-E205 VanDerWaalsContact CZ-OE2 3.29Å; R137-E205 IonicContact NE-OE1 3.05Å; R137-E205 PolarHBondContact NE-OE1 2.96Å; R137-E205 IonicContact NE-OE2 3.22Å; R137-E205 PolarHBondContact NE-OE2 3.27Å; R137-E205 VanDerWaalsContact NH2-CD 3.27Å; R137-E205 IonicContact NH2-OE1 2.56Å; R137-E205 PolarHBondContact NH2-OE1 3.27Å; R137-E205 IonicContact NH2-OE2 3.09Å; R137-E205 PolarHBondContact NH2-OE2 3.44Å
138L95.6Very high94.9Very high0 Ų027.3 Ų27.30%014%0.137CC..Hα-helixtrans-66.6-36.1178.9-75.1171.4000113.3R108 E134 M135 F136 L141 E142 Y161 Q165 L174R108-L138 VanDerWaalsContact NH1-CD1 3.29Å; E134-L138 HydrophobicContact CG-CD1 3.95Å; E134-L138 HydrophobicContact CG-CG 4.4Å; E134-L138 WeakPolarHBondContact O-CB 3.4Å; E134-L138 VanDerWaalsContact O-CG 3.22Å; E134-L138 WeakPolarHBondContact O-CG 3.45Å; E134-L138 PolarHBondContact O-N 3.07Å; M135-L138 WeakPolarHBondContact O-CB 3.27Å; M135-L138 PolarHBondContact O-N 3.04Å; M135-L138 HydrophobicContact SD-CD1 4.16Å; F136-L138 VanDerWaalsContact C-N 3.28Å; F136-L138 PolarHBondContact O-N 3.46Å; L138-L141 PolarHBondContact O-N 2.91Å; L138-E142 WeakPolarHBondContact O-CB 3.41Å; L138-E142 PolarHBondContact O-N 2.76Å; L138-Y161 WeakPolarHBondContact CB-OH 3.48Å; L138-Y161 VanDerWaalsContact O-CE2 3.27Å; L138-Y161 WeakPolarHBondContact O-CE2 3.47Å; L138-Y161 PolarHBondContact O-OH 3.3Å; L138-Q165 VanDerWaalsContact CD2-CD 3.47Å; L138-Q165 HydrophobicContact CD2-CG 3.67Å; L138-L174 HydrophobicContact CD2-CD1 4.27Å; L138-L174 HydrophobicContact CD2-CD2 4.4Å; L138-L174 HydrophobicContact CG-CD2 4.36Å
139E95.3Very high94.5Very high34 Ų3428.9 Ų28.916%0.15915%0.147CC..Hα-helixtrans-67-42.1174-73.9-177.3-174.300111.2K109 M135 F136 L141 E142 D143 W212K109-E139 WeakPolarHBondContact CE-OE1 3.39Å; K109-E139 IonicContact NZ-OE1 2.74Å; K109-E139 PolarHBondContact NZ-OE1 3.44Å; M135-E139 WeakPolarHBondContact O-CG 3.35Å; M135-E139 PolarHBondContact O-N 3.4Å; F136-E139 PolarHBondContact O-N 3.33Å; E139-L141 VanDerWaalsContact C-N 3.35Å; E139-L141 PolarHBondContact O-N 2.88Å; E139-E142 WeakPolarHBondContact O-CB 3.32Å; E139-E142 PolarHBondContact O-N 2.95Å; E139-E142 VanDerWaalsContact O-N 3.15Å; E139-D143 PolarHBondContact O-N 2.91Å; E139-W212 PolarHBondContact OE2-NE1 2.78Å
140I97.2Very high94.2Very high3 Ų336.2 Ų36.22%0.01517%0.172CC..Hα-helixtrans-64-41.6175.1-63.7163.2000111.4F136 R137 E142 D143 I144 M200 V201 R204F136-I140 HydrophobicContact CD1-CD1 3.74Å; F136-I140 HydrophobicContact CE1-CD1 3.15Å; F136-I140 HydrophobicContact CE1-CG1 4.3Å; F136-I140 HydrophobicContact CE2-CD1 4.39Å; F136-I140 HydrophobicContact CZ-CD1 3.56Å; F136-I140 HydrophobicContact CZ-CG1 4.39Å; F136-I140 PolarHBondContact O-N 2.53Å; R137-I140 PolarHBondContact O-N 3.16Å; I140-E142 PolarHBondContact O-N 3.03Å; I140-D143 PolarHBondContact O-N 3.37Å; I140-I144 HydrophobicContact CG2-CD1 3.7Å; I140-I144 HydrophobicContact CG2-CG1 4.36Å; I140-I144 WeakPolarHBondContact O-CD1 3.38Å; I140-I144 VanDerWaalsContact O-CG1 3.26Å; I140-I144 WeakPolarHBondContact O-CG1 3.37Å; I140-I144 PolarHBondContact O-N 3.01Å; I140-M200 HydrophobicContact CG2-CG 4.44Å; I140-V201 HydrophobicContact CB-CG2 4.07Å; I140-V201 HydrophobicContact CG2-CB 4.48Å; I140-V201 HydrophobicContact CG2-CG2 3.64Å; I140-R204 HydrophobicContact CD1-CB 3.54Å; I140-R204 HydrophobicContact CD1-CG 4.4Å; I140-R204 HydrophobicContact CG1-CB 4.47Å
141L95.5Very high93.9Very high0 Ų037 Ų370%017%0.174CC..Hα-helixtrans-64.8-29.3176.4-72.3-176.2000112.4R137 L138 E139 I144 A145 Y161 F164 Q165 L168 L172 L174 A197 V201R137-L141 WeakPolarHBondContact O-CG 3.25Å; R137-L141 PolarHBondContact O-N 3.32Å; L138-L141 PolarHBondContact O-N 2.91Å; E139-L141 VanDerWaalsContact C-N 3.35Å; E139-L141 PolarHBondContact O-N 2.88Å; L141-I144 HydrophobicContact CD2-CD1 4.3Å; L141-A145 VanDerWaalsContact O-CB 3.24Å; L141-A145 WeakPolarHBondContact O-CB 3.41Å; L141-A145 PolarHBondContact O-N 2.99Å; L141-Y161 HydrophobicContact CB-CD2 4.31Å; L141-Y161 HydrophobicContact CB-CE2 3.86Å; L141-F164 HydrophobicContact CD2-CB 4.22Å; L141-Q165 HydrophobicContact CD1-CG 4.36Å; L141-L168 HydrophobicContact CD2-CD1 3.87Å; L141-L172 HydrophobicContact CD1-CD1 4.07Å; L141-L172 HydrophobicContact CD2-CD1 4.27Å; L141-L172 HydrophobicContact CG-CD1 4.43Å; L141-L174 HydrophobicContact CD1-CD1 3.74Å; L141-A197 HydrophobicContact CD2-CB 4.24Å; L141-V201 HydrophobicContact CD2-CG2 3.69Å; L141-V201 HydrophobicContact CG-CG2 4.06Å
142E92.8Very high93.5Very high6 Ų636.6 Ų36.63%0.02817%0.172CC..Hα-helixtrans-70.4-44.6174.2173.5-113.7129.200111A101 L102 L138 E139 I140 I144 A145 R146 Y161A101-E142 HydrophobicContact CB-CG 4Å; L102-E142 HydrophobicContact CB-CG 4.48Å; L102-E142 WeakPolarHBondContact CD1-OE2 3.31Å; L138-E142 WeakPolarHBondContact O-CB 3.41Å; L138-E142 PolarHBondContact O-N 2.76Å; E139-E142 WeakPolarHBondContact O-CB 3.32Å; E139-E142 PolarHBondContact O-N 2.95Å; E139-E142 VanDerWaalsContact O-N 3.15Å; I140-E142 PolarHBondContact O-N 3.03Å; E142-I144 VanDerWaalsContact C-N 3.34Å; E142-I144 PolarHBondContact O-N 3.34Å; E142-A145 PolarHBondContact O-N 2.78Å; E142-R146 WeakPolarHBondContact O-CB 3.49Å; E142-R146 PolarHBondContact O-N 3.22Å; E142-R146 IonicContact OE1-CZ 2.74Å; E142-R146 IonicContact OE1-NH1 3.67Å; E142-R146 PolarHBondContact OE1-NH1 3.31Å; E142-R146 IonicContact OE1-NH2 3.64Å; E142-R146 PolarHBondContact OE1-NH2 3.42Å; E142-Y161 HydrophobicContact CB-CD2 4.05Å; E142-Y161 HydrophobicContact CB-CE2 3.64Å; E142-Y161 VanDerWaalsContact N-CE2 3.34Å
143D93.5Very high92.7Very high60 Ų6044.3 Ų44.332%0.32121%0.208SC..Hα-helixtrans-57.3-45.9171.8-77.2-26.7000112E139 I140 R146 D147 R204E139-D143 PolarHBondContact O-N 2.91Å; I140-D143 PolarHBondContact O-N 3.37Å; D143-R146 WeakPolarHBondContact O-CB 3.36Å; D143-R146 PolarHBondContact O-N 3.05Å; D143-R146 IonicContact OD1-NH1 3.71Å; D143-R146 PolarHBondContact OD1-NH1 3.23Å; D143-D147 PolarHBondContact O-N 2.9Å; D143-R204 IonicContact OD2-NH1 2.78Å; D143-R204 PolarHBondContact OD2-NH1 3.35Å
144I95Very high91.6Very high33 Ų3350.8 Ų50.817%0.16924%0.238CC..Hα-helixtrans-64.1-42.2178.1-67.8162.6000111I140 L141 E142 R146 D147 K148 F164 A197 M200 V201I140-I144 HydrophobicContact CG2-CD1 3.7Å; I140-I144 HydrophobicContact CG2-CG1 4.36Å; I140-I144 WeakPolarHBondContact O-CD1 3.38Å; I140-I144 VanDerWaalsContact O-CG1 3.26Å; I140-I144 WeakPolarHBondContact O-CG1 3.37Å; I140-I144 PolarHBondContact O-N 3.01Å; L141-I144 HydrophobicContact CD2-CD1 4.3Å; E142-I144 VanDerWaalsContact C-N 3.34Å; E142-I144 PolarHBondContact O-N 3.34Å; I144-R146 VanDerWaalsContact C-N 3.35Å; I144-D147 PolarHBondContact O-N 2.96Å; I144-K148 WeakPolarHBondContact O-CB 3.38Å; I144-K148 PolarHBondContact O-N 2.81Å; I144-F164 HydrophobicContact CG2-CD2 4.47Å; I144-F164 HydrophobicContact CG2-CE1 4.17Å; I144-F164 HydrophobicContact CG2-CE2 3.89Å; I144-F164 HydrophobicContact CG2-CZ 3.72Å; I144-A197 HydrophobicContact CD1-CB 3.94Å; I144-A197 HydrophobicContact CG2-CB 4.08Å; I144-M200 HydrophobicContact CD1-CB 4.18Å; I144-M200 HydrophobicContact CD1-CG 4.25Å; I144-V201 HydrophobicContact CD1-CG2 4.31Å
145A91Very high90.6Very high0 Ų051.5 Ų51.50%024%0.243CC..Hα-helixtrans-61.7-45.1177.300000111L141 E142 D147 K148 V149 V160 Y161 F164L141-A145 VanDerWaalsContact O-CB 3.24Å; L141-A145 WeakPolarHBondContact O-CB 3.41Å; L141-A145 PolarHBondContact O-N 2.99Å; E142-A145 PolarHBondContact O-N 2.78Å; A145-D147 PolarHBondContact O-N 2.83Å; A145-K148 WeakPolarHBondContact O-CB 3.47Å; A145-K148 PolarHBondContact O-N 2.56Å; A145-K148 VanDerWaalsContact O-N 3.17Å; A145-V149 WeakPolarHBondContact O-CG2 3.32Å; A145-V149 PolarHBondContact O-N 3.45Å; A145-V160 HydrophobicContact CB-CB 4.29Å; A145-V160 HydrophobicContact CB-CG1 3.97Å; A145-Y161 HydrophobicContact CB-CD2 4.2Å; A145-Y161 HydrophobicContact CB-CG 4.48Å; A145-F164 HydrophobicContact CB-CD2 4.12Å; A145-F164 HydrophobicContact CB-CE2 4.47Å
146R89.9Confident89.7Confident36 Ų3655.4 Ų55.414%0.13626%0.264CS..Hα-helixtrans-57.6-47.6175.5179.8-172-67.3136.8-2.3112E142 D143 I144 K148 V149 R150E142-R146 WeakPolarHBondContact O-CB 3.49Å; E142-R146 PolarHBondContact O-N 3.22Å; E142-R146 IonicContact OE1-CZ 2.74Å; E142-R146 IonicContact OE1-NH1 3.67Å; E142-R146 PolarHBondContact OE1-NH1 3.31Å; E142-R146 IonicContact OE1-NH2 3.64Å; E142-R146 PolarHBondContact OE1-NH2 3.42Å; D143-R146 WeakPolarHBondContact O-CB 3.36Å; D143-R146 PolarHBondContact O-N 3.05Å; D143-R146 IonicContact OD1-NH1 3.71Å; D143-R146 PolarHBondContact OD1-NH1 3.23Å; I144-R146 VanDerWaalsContact C-N 3.35Å; R146-K148 VanDerWaalsContact C-N 3.29Å; R146-K148 PolarHBondContact O-N 3.01Å; R146-V149 PolarHBondContact O-N 3.06Å; R146-R150 PolarHBondContact O-N 2.63Å
147D92.1Very high89Confident89 Ų8956.3 Ų56.348%0.47627%0.268SS..Hα-helixtrans-65.4-35.4178.1-80.3-18.5000112.2D143 I144 A145 R150D143-D147 PolarHBondContact O-N 2.9Å; I144-D147 PolarHBondContact O-N 2.96Å; A145-D147 PolarHBondContact O-N 2.83Å; D147-R150 WeakPolarHBondContact O-CB 3.49Å; D147-R150 PolarHBondContact O-N 3.21Å; D147-R150 IonicContact OD1-CZ 3.35Å; D147-R150 IonicContact OD1-NH1 2.74Å; D147-R150 PolarHBondContact OD1-NH1 3.33Å
148K91.2Very high88.3Confident33 Ų3355.2 Ų55.214%0.14327%0.265CS..Hα-helixtrans-67-42.4175.9-179.764.2-179-172.70112.2I144 A145 R146 R150 T151 L152 V160 F164 G188 D193I144-K148 WeakPolarHBondContact O-CB 3.38Å; I144-K148 PolarHBondContact O-N 2.81Å; A145-K148 WeakPolarHBondContact O-CB 3.47Å; A145-K148 PolarHBondContact O-N 2.56Å; A145-K148 VanDerWaalsContact O-N 3.17Å; R146-K148 VanDerWaalsContact C-N 3.29Å; R146-K148 PolarHBondContact O-N 3.01Å; K148-R150 PolarHBondContact O-N 3.09Å; K148-T151 WeakPolarHBondContact O-CA 3.37Å; K148-T151 WeakPolarHBondContact O-CB 3.45Å; K148-T151 PolarHBondContact O-N 3.15Å; K148-T151 PolarHBondContact O-OG1 3.3Å; K148-L152 HydrophobicContact CG-CD1 4.08Å; K148-V160 HydrophobicContact CB-CG1 3.93Å; K148-V160 HydrophobicContact CG-CG1 3.79Å; K148-F164 HydrophobicContact CB-CE2 4.2Å; K148-F164 HydrophobicContact CG-CE2 4.34Å; K148-G188 WeakPolarHBondContact CE-O 3.38Å; K148-D193 WeakPolarHBondContact CE-OD2 3.24Å; K148-D193 IonicContact NZ-OD1 3.26Å; K148-D193 PolarHBondContact NZ-OD1 3.33Å; K148-D193 IonicContact NZ-OD2 3.11Å; K148-D193 PolarHBondContact NZ-OD2 3.34Å
149V88.6Confident87.8Confident33 Ų3355.7 Ų55.720%0.227%0.267CS..Hα-helixtrans-58.2-36.3179.81710000111.1A145 R146 T151 L152 E157 V160A145-V149 WeakPolarHBondContact O-CG2 3.32Å; A145-V149 PolarHBondContact O-N 3.45Å; R146-V149 PolarHBondContact O-N 3.06Å; V149-T151 PolarHBondContact O-N 3.35Å; V149-L152 PolarHBondContact O-N 3.36Å; V149-E157 HydrophobicContact CG2-CB 4.04Å; V149-E157 HydrophobicContact CG2-CG 4.31Å; V149-V160 HydrophobicContact CG2-CB 3.91Å; V149-V160 HydrophobicContact CG2-CG1 4.38Å; V149-V160 HydrophobicContact CG2-CG2 3.58Å
150R88.8Confident87.4Confident183 Ų18354 Ų5469%0.69126%0.259SS*.THydrogen-bonded Turntrans-59.7-19.7175-65.6170.3173.6168.2-9.7113.9R146 D147 K148R146-R150 PolarHBondContact O-N 2.63Å; D147-R150 WeakPolarHBondContact O-CB 3.49Å; D147-R150 PolarHBondContact O-N 3.21Å; D147-R150 IonicContact OD1-CZ 3.35Å; D147-R150 IonicContact OD1-NH1 2.74Å; D147-R150 PolarHBondContact OD1-NH1 3.33Å; K148-R150 PolarHBondContact O-N 3.09Å
151T88.4Confident87Confident93 Ų9353.9 Ų53.957%0.57126%0.258SS*.THydrogen-bonded Turntrans-96.4-7.9177.675.10000113.5K148 V149K148-T151 WeakPolarHBondContact O-CA 3.37Å; K148-T151 WeakPolarHBondContact O-CB 3.45Å; K148-T151 PolarHBondContact O-N 3.15Å; K148-T151 PolarHBondContact O-OG1 3.3Å; V149-T151 PolarHBondContact O-N 3.35Å
152L86.4Confident86.7Confident41 Ų4154 Ų5422%0.21526%0.259CS..SBendtrans-107.9155.8-176-61.9175.3000110.1K148 V149 V155 V160 S187K148-L152 HydrophobicContact CG-CD1 4.08Å; V149-L152 PolarHBondContact O-N 3.36Å; L152-V155 HydrophobicContact CB-CB 4.14Å; L152-V155 HydrophobicContact CB-CG2 4.05Å; L152-V155 HydrophobicContact CD1-CB 4.14Å; L152-V155 HydrophobicContact CD1-CG1 4.22Å; L152-V155 HydrophobicContact CD1-CG2 4.21Å; L152-V160 HydrophobicContact CD1-CG2 3.93Å; L152-S187 VanDerWaalsContact CD1-O 3.28Å; L152-S187 WeakPolarHBondContact CD1-O 3.45Å
153H80.3Confident86.5Confident163 Ų16353.8 Ų53.876%0.75526%0.258SS*.SBendtrans-111.3131.1173.3-63.9-63.4000109.1V155H153-V155 VanDerWaalsContact C-N 3.31Å; H153-V155 PolarHBondContact O-N 2.68Å
154F73.8Confident86.5Confident217 Ų21751 Ų5195%0.95224%0.243SC*.SBendtrans60.531.9175.7-47.8-74.5000115
155V75.2Confident86.3Confident25 Ų2549.6 Ų49.615%0.15224%0.236CC..  trans-117.2129.8174.5-174.60000109.1L152 H153 V160L152-V155 HydrophobicContact CB-CB 4.14Å; L152-V155 HydrophobicContact CB-CG2 4.05Å; L152-V155 HydrophobicContact CD1-CB 4.14Å; L152-V155 HydrophobicContact CD1-CG1 4.22Å; L152-V155 HydrophobicContact CD1-CG2 4.21Å; H153-V155 VanDerWaalsContact C-N 3.31Å; H153-V155 PolarHBondContact O-N 2.68Å; V155-V160 HydrophobicContact CG1-CG2 3.54Å
156D78.2Confident86.2Confident86 Ų8650.4 Ų50.446%0.4624%0.241SC..  trans-76.1143.9-179.3-68.1-59.8000112.6T55 I158 E159 V160T55-D156 HydrophobicContact CG2-CB 3.54Å; D156-I158 VanDerWaalsContact C-N 3.31Å; D156-I158 HydrophobicContact CB-CG2 4.35Å; D156-I158 PolarHBondContact O-N 3.04Å; D156-E159 HydrophobicContact CB-CB 4.44Å; D156-E159 WeakPolarHBondContact O-CB 3.49Å; D156-E159 PolarHBondContact O-N 3.38Å; D156-V160 PolarHBondContact O-N 2.94Å
157E83.5Confident86.2Confident21 Ų2153 Ų5310%0.09826%0.256CS..Hα-helixtrans-57.1-43-179.3-176.7-178.5121.800112.8A101 V149 E159 V160 Y161A101-E157 HydrophobicContact CB-CG 4.26Å; A101-E157 WeakPolarHBondContact CB-OE1 3.47Å; V149-E157 HydrophobicContact CG2-CB 4.04Å; V149-E157 HydrophobicContact CG2-CG 4.31Å; E157-E159 VanDerWaalsContact C-N 3.25Å; E157-E159 PolarHBondContact O-N 3.45Å; E157-V160 PolarHBondContact O-N 3.48Å; E157-Y161 VanDerWaalsContact O-CB 3.31Å; E157-Y161 WeakPolarHBondContact O-CB 3.26Å; E157-Y161 PolarHBondContact O-N 3.15Å
158I83.1Confident86.3Confident4 Ų448.9 Ų48.92%0.02123%0.233CC..Hα-helixtrans-64.4-31179.2-171.361.9000112.1L52 T55 V100 A101 D156 Y161 L162L52-I158 HydrophobicContact CD1-CD1 4.16Å; L52-I158 HydrophobicContact CD1-CG1 4.23Å; T55-I158 HydrophobicContact CG2-CG2 3.17Å; V100-I158 HydrophobicContact CG1-CB 4.24Å; V100-I158 HydrophobicContact CG1-CG1 4.48Å; A101-I158 HydrophobicContact CB-CD1 4.28Å; D156-I158 VanDerWaalsContact C-N 3.31Å; D156-I158 HydrophobicContact CB-CG2 4.35Å; D156-I158 PolarHBondContact O-N 3.04Å; I158-Y161 HydrophobicContact CD1-CD1 4.03Å; I158-Y161 PolarHBondContact O-N 2.94Å; I158-L162 HydrophobicContact CD1-CG 4.25Å; I158-L162 HydrophobicContact CG1-CD1 4.14Å; I158-L162 HydrophobicContact CG1-CG 4.32Å; I158-L162 WeakPolarHBondContact O-CB 3.34Å; I158-L162 VanDerWaalsContact O-CG 3.23Å; I158-L162 WeakPolarHBondContact O-CG 3.22Å; I158-L162 PolarHBondContact O-N 3.33Å
159E83.2Confident86.4Confident9 Ų948.2 Ų48.24%0.04223%0.234CC..Hα-helixtrans-70.3-45.4177.8-177.1160.9-143.900111.4S57 D156 E157 Y161 L162 A163 M181 V186S57-E159 PolarHBondContact OG-OE1 3.31Å; D156-E159 HydrophobicContact CB-CB 4.44Å; D156-E159 WeakPolarHBondContact O-CB 3.49Å; D156-E159 PolarHBondContact O-N 3.38Å; E157-E159 VanDerWaalsContact C-N 3.25Å; E157-E159 PolarHBondContact O-N 3.45Å; E159-Y161 VanDerWaalsContact C-N 3.29Å; E159-Y161 PolarHBondContact O-N 3.39Å; E159-L162 PolarHBondContact O-N 2.59Å; E159-A163 WeakPolarHBondContact O-CB 3.48Å; E159-A163 PolarHBondContact O-N 3.31Å; E159-M181 HydrophobicContact CG-CE 3.59Å; E159-M181 VanDerWaalsContact O-CE 3.29Å; E159-M181 WeakPolarHBondContact O-CE 3.18Å; E159-V186 WeakPolarHBondContact OE1-CB 3.47Å; E159-V186 WeakPolarHBondContact OE1-CG1 3.31Å; E159-V186 WeakPolarHBondContact OE2-CG1 3.41Å
160V88.3Confident86.5Confident0 Ų055.2 Ų55.20%027%0.265CS..Hα-helixtrans-61.9-41.9174.4-1770000110.5A145 K148 V149 L152 V155 D156 E157 A163 F164 V189A145-V160 HydrophobicContact CB-CB 4.29Å; A145-V160 HydrophobicContact CB-CG1 3.97Å; K148-V160 HydrophobicContact CB-CG1 3.93Å; K148-V160 HydrophobicContact CG-CG1 3.79Å; V149-V160 HydrophobicContact CG2-CB 3.91Å; V149-V160 HydrophobicContact CG2-CG1 4.38Å; V149-V160 HydrophobicContact CG2-CG2 3.58Å; L152-V160 HydrophobicContact CD1-CG2 3.93Å; V155-V160 HydrophobicContact CG1-CG2 3.54Å; D156-V160 PolarHBondContact O-N 2.94Å; E157-V160 PolarHBondContact O-N 3.48Å; V160-A163 WeakPolarHBondContact O-CB 3.49Å; V160-A163 PolarHBondContact O-N 2.99Å; V160-F164 HydrophobicContact CG1-CD2 3.87Å; V160-F164 HydrophobicContact CG1-CE2 3.57Å; V160-F164 WeakPolarHBondContact O-CD2 3.46Å; V160-F164 PolarHBondContact O-N 3.23Å; V160-V189 HydrophobicContact CG1-CG2 3.8Å
161Y89.3Confident86.8Confident0 Ų051.3 Ų51.30%025%0.253CS..Hα-helixtrans-63.1-49.2179.1-177.4-133.6000112.6A101 N105 L138 L141 E142 A145 E157 I158 E159 A163 F164 Q165A101-Y161 HydrophobicContact CB-CD1 3.48Å; A101-Y161 VanDerWaalsContact CB-CD1 3.48Å; A101-Y161 HydrophobicContact CB-CE1 4.05Å; A101-Y161 HydrophobicContact CB-CG 3.87Å; N105-Y161 PolarHBondContact ND2-OH 2.83Å; N105-Y161 PolarHBondContact OD1-OH 3.18Å; L138-Y161 WeakPolarHBondContact CB-OH 3.48Å; L138-Y161 VanDerWaalsContact O-CE2 3.27Å; L138-Y161 WeakPolarHBondContact O-CE2 3.47Å; L138-Y161 PolarHBondContact O-OH 3.3Å; L141-Y161 HydrophobicContact CB-CD2 4.31Å; L141-Y161 HydrophobicContact CB-CE2 3.86Å; E142-Y161 HydrophobicContact CB-CD2 4.05Å; E142-Y161 HydrophobicContact CB-CE2 3.64Å; E142-Y161 VanDerWaalsContact N-CE2 3.34Å; A145-Y161 HydrophobicContact CB-CD2 4.2Å; A145-Y161 HydrophobicContact CB-CG 4.48Å; E157-Y161 VanDerWaalsContact O-CB 3.31Å; E157-Y161 WeakPolarHBondContact O-CB 3.26Å; E157-Y161 PolarHBondContact O-N 3.15Å; I158-Y161 HydrophobicContact CD1-CD1 4.03Å; I158-Y161 PolarHBondContact O-N 2.94Å; E159-Y161 VanDerWaalsContact C-N 3.29Å; E159-Y161 PolarHBondContact O-N 3.39Å; Y161-A163 VanDerWaalsContact C-N 3.28Å; Y161-A163 PolarHBondContact O-N 3.17Å; Y161-F164 PolarHBondContact O-N 3.28Å; Y161-Q165 HydrophobicContact CD2-CG 4.47Å; Y161-Q165 HydrophobicContact CE2-CG 4.17Å; Y161-Q165 WeakPolarHBondContact O-CG 3.4Å; Y161-Q165 PolarHBondContact O-N 3.43Å; Y161-Q165 PolarHBondContact OH-NE2 2.9Å
162L87.6Confident87.2Confident3 Ų346.9 Ų46.92%0.01623%0.226CC..Hα-helixtrans-62.7-35.7176.4-70.4175.7000111.7F64 I158 E159 Q165 T166 M181F64-L162 HydrophobicContact CD1-CD1 4.25Å; F64-L162 HydrophobicContact CD2-CD1 4.47Å; F64-L162 HydrophobicContact CD2-CD2 3.83Å; F64-L162 HydrophobicContact CE1-CD1 4.41Å; F64-L162 HydrophobicContact CE2-CD2 3.97Å; F64-L162 HydrophobicContact CG-CD1 4.28Å; F64-L162 HydrophobicContact CG-CD2 4.37Å; I158-L162 HydrophobicContact CD1-CG 4.25Å; I158-L162 HydrophobicContact CG1-CD1 4.14Å; I158-L162 HydrophobicContact CG1-CG 4.32Å; I158-L162 WeakPolarHBondContact O-CB 3.34Å; I158-L162 VanDerWaalsContact O-CG 3.23Å; I158-L162 WeakPolarHBondContact O-CG 3.22Å; I158-L162 PolarHBondContact O-N 3.33Å; E159-L162 PolarHBondContact O-N 2.59Å; L162-Q165 PolarHBondContact O-N 3.3Å; L162-T166 WeakPolarHBondContact O-CB 3.34Å; L162-T166 PolarHBondContact O-N 3.29Å; L162-T166 PolarHBondContact O-OG1 3.02Å; L162-M181 HydrophobicContact CB-CE 4.29Å; L162-M181 HydrophobicContact CB-SD 4.43Å
163A89.1Confident87.5Confident0 Ų051.6 Ų51.60%025%0.246CC..Hα-helixtrans-62.6-45.9175.400000112.4E159 V160 Y161 M167 M181 Y184 S187 V189E159-A163 WeakPolarHBondContact O-CB 3.48Å; E159-A163 PolarHBondContact O-N 3.31Å; V160-A163 WeakPolarHBondContact O-CB 3.49Å; V160-A163 PolarHBondContact O-N 2.99Å; Y161-A163 VanDerWaalsContact C-N 3.28Å; Y161-A163 PolarHBondContact O-N 3.17Å; A163-M167 WeakPolarHBondContact O-CB 3.48Å; A163-M167 VanDerWaalsContact O-CG 3.25Å; A163-M167 WeakPolarHBondContact O-CG 3.46Å; A163-M167 PolarHBondContact O-N 3.28Å; A163-M167 VanDerWaalsContact O-N 3.1Å; A163-M181 WeakPolarHBondContact CA-SD 3.19Å; A163-M181 HydrophobicContact CB-CE 4.07Å; A163-M181 HydrophobicContact CB-SD 3.64Å; A163-M181 PolarHBondContact N-SD 2.99Å; A163-Y184 HydrophobicContact CB-CD2 3.98Å; A163-Y184 HydrophobicContact CB-CE2 3.88Å; A163-S187 VanDerWaalsContact CB-CB 3.4Å; A163-S187 WeakPolarHBondContact CB-OG 3.33Å; A163-V189 HydrophobicContact CB-CB 4.31Å; A163-V189 HydrophobicContact CB-CG2 3.88Å
164F92.7Very high88Confident2 Ų244.1 Ų44.11%0.00921%0.212CC..Hα-helixtrans-60.9-45.9173.9-81.5-64.6000111.9L141 I144 A145 K148 V160 Y161 L168 V189 D193 L194 A197L141-F164 HydrophobicContact CD2-CB 4.22Å; I144-F164 HydrophobicContact CG2-CD2 4.47Å; I144-F164 HydrophobicContact CG2-CE1 4.17Å; I144-F164 HydrophobicContact CG2-CE2 3.89Å; I144-F164 HydrophobicContact CG2-CZ 3.72Å; A145-F164 HydrophobicContact CB-CD2 4.12Å; A145-F164 HydrophobicContact CB-CE2 4.47Å; K148-F164 HydrophobicContact CB-CE2 4.2Å; K148-F164 HydrophobicContact CG-CE2 4.34Å; V160-F164 HydrophobicContact CG1-CD2 3.87Å; V160-F164 HydrophobicContact CG1-CE2 3.57Å; V160-F164 WeakPolarHBondContact O-CD2 3.46Å; V160-F164 PolarHBondContact O-N 3.23Å; Y161-F164 PolarHBondContact O-N 3.28Å; F164-L168 HydrophobicContact CD1-CD1 4.29Å; F164-L168 VanDerWaalsContact O-CB 3.24Å; F164-L168 WeakPolarHBondContact O-CB 3.47Å; F164-L168 WeakPolarHBondContact O-CG 3.41Å; F164-L168 PolarHBondContact O-N 2.88Å; F164-V189 HydrophobicContact CD1-CG1 4.08Å; F164-V189 HydrophobicContact CD2-CG2 4.22Å; F164-V189 HydrophobicContact CE1-CG1 3.73Å; F164-V189 HydrophobicContact CE2-CG1 4.49Å; F164-V189 HydrophobicContact CE2-CG2 3.94Å; F164-V189 HydrophobicContact CZ-CG1 3.95Å; F164-V189 HydrophobicContact CZ-CG2 4.14Å; F164-D193 HydrophobicContact CE1-CB 3.98Å; F164-D193 HydrophobicContact CZ-CB 3.94Å; F164-L194 HydrophobicContact CD1-CD2 3.82Å; F164-L194 HydrophobicContact CE1-CD2 4.21Å; F164-A197 HydrophobicContact CD1-CB 3.85Å; F164-A197 HydrophobicContact CE1-CB 3.69Å
165Q91.6Very high88.6Confident3 Ų338.4 Ų38.41%0.01420%0.199CC..Hα-helixtrans-59.9-54.7179-72.6-173.529.900112.2L138 L141 Y161 L162 M167 L168 A169 L174 A177L138-Q165 VanDerWaalsContact CD2-CD 3.47Å; L138-Q165 HydrophobicContact CD2-CG 3.67Å; L141-Q165 HydrophobicContact CD1-CG 4.36Å; Y161-Q165 HydrophobicContact CD2-CG 4.47Å; Y161-Q165 HydrophobicContact CE2-CG 4.17Å; Y161-Q165 WeakPolarHBondContact O-CG 3.4Å; Y161-Q165 PolarHBondContact O-N 3.43Å; Y161-Q165 PolarHBondContact OH-NE2 2.9Å; L162-Q165 PolarHBondContact O-N 3.3Å; Q165-M167 VanDerWaalsContact C-N 3.34Å; Q165-M167 PolarHBondContact O-N 2.75Å; Q165-L168 CarbonylContact O-C 3.58Å; Q165-L168 PolarHBondContact O-N 2.93Å; Q165-A169 WeakPolarHBondContact O-CA 3.36Å; Q165-A169 WeakPolarHBondContact O-CB 3.03Å; Q165-A169 PolarHBondContact O-N 3.44Å; Q165-L174 HydrophobicContact CB-CD1 4.39Å; Q165-L174 HydrophobicContact CG-CD1 4.48Å; Q165-A177 HydrophobicContact CB-CB 4.09Å
166T88.8Confident88.9Confident18 Ų1838.9 Ų38.911%0.1120%0.202CC..Hα-helixtrans-60.3-44.8-176.4-70.70000111.2L162 L168 A169 V178 M181L162-T166 WeakPolarHBondContact O-CB 3.34Å; L162-T166 PolarHBondContact O-N 3.29Å; L162-T166 PolarHBondContact O-OG1 3.02Å; T166-L168 VanDerWaalsContact C-N 3.34Å; T166-L168 PolarHBondContact O-N 2.87Å; T166-A169 WeakPolarHBondContact O-CB 3.41Å; T166-A169 PolarHBondContact O-N 3.41Å; T166-V178 WeakPolarHBondContact CA-O 3.22Å; T166-V178 WeakPolarHBondContact CB-O 3.47Å; T166-V178 VanDerWaalsContact CG2-O 3.31Å; T166-V178 WeakPolarHBondContact CG2-O 3.38Å; T166-V178 PolarHBondContact OG1-O 3.34Å; T166-M181 HydrophobicContact CG2-CB 3.95Å
167M90.7Very high89Confident91 Ų9135.3 Ų35.345%0.44819%0.185SC..Hα-helixtrans-77.1-20.3-176.3-63.4-54.2-68.200114A163 Q165 Y184 L194A163-M167 WeakPolarHBondContact O-CB 3.48Å; A163-M167 VanDerWaalsContact O-CG 3.25Å; A163-M167 WeakPolarHBondContact O-CG 3.46Å; A163-M167 PolarHBondContact O-N 3.28Å; A163-M167 VanDerWaalsContact O-N 3.1Å; Q165-M167 VanDerWaalsContact C-N 3.34Å; Q165-M167 PolarHBondContact O-N 2.75Å; M167-Y184 HydrophobicContact CB-CE2 4.44Å; M167-Y184 HydrophobicContact CG-CD2 3.69Å; M167-Y184 HydrophobicContact CG-CE2 3.19Å; M167-Y184 HydrophobicContact SD-CD2 3.99Å; M167-Y184 HydrophobicContact SD-CE2 3.96Å; M167-L194 HydrophobicContact CB-CD1 3.75Å; M167-L194 HydrophobicContact CB-CD2 3.61Å; M167-L194 HydrophobicContact CB-CG 4.36Å; M167-L194 HydrophobicContact CE-CD1 4.38Å; M167-L194 HydrophobicContact CG-CD1 4.19Å; M167-L194 HydrophobicContact CG-CD2 4.37Å
168L94.5Very high88.6Confident1 Ų134.8 Ų34.81%0.00518%0.183CC..Hα-helixtrans-105.43.1176.8-61.1175.6000113.1L141 F164 Q165 T166 E170 K171 L172 L194 A197 E198L141-L168 HydrophobicContact CD2-CD1 3.87Å; F164-L168 HydrophobicContact CD1-CD1 4.29Å; F164-L168 VanDerWaalsContact O-CB 3.24Å; F164-L168 WeakPolarHBondContact O-CB 3.47Å; F164-L168 WeakPolarHBondContact O-CG 3.41Å; F164-L168 PolarHBondContact O-N 2.88Å; Q165-L168 CarbonylContact O-C 3.58Å; Q165-L168 PolarHBondContact O-N 2.93Å; T166-L168 VanDerWaalsContact C-N 3.34Å; T166-L168 PolarHBondContact O-N 2.87Å; L168-E170 PolarHBondContact O-N 2.89Å; L168-K171 HydrophobicContact CD2-CD 4.48Å; L168-K171 PolarHBondContact O-N 3.02Å; L168-L172 HydrophobicContact CB-CD1 3.71Å; L168-L172 HydrophobicContact CB-CG 4.04Å; L168-L172 HydrophobicContact CD1-CD1 3.91Å; L168-L172 HydrophobicContact CG-CD1 4.38Å; L168-L172 WeakPolarHBondContact O-CB 3.43Å; L168-L172 PolarHBondContact O-N 3.41Å; L168-L194 HydrophobicContact CD1-CD2 4.41Å; L168-L194 HydrophobicContact CD2-CB 4.25Å; L168-L194 HydrophobicContact CD2-CD2 4.33Å; L168-L194 HydrophobicContact CG-CD2 4.06Å; L168-A197 HydrophobicContact CD1-CB 3.94Å; L168-E198 HydrophobicContact CD2-CB 4.11Å
169A92.3Very high88Confident19 Ų1943.9 Ų43.916%0.15722%0.222CC..THydrogen-bonded Turntrans-53.2-50-173.900000112.8Q165 T166 Q173 L174 A177Q165-A169 WeakPolarHBondContact O-CA 3.36Å; Q165-A169 WeakPolarHBondContact O-CB 3.03Å; Q165-A169 PolarHBondContact O-N 3.44Å; T166-A169 WeakPolarHBondContact O-CB 3.41Å; T166-A169 PolarHBondContact O-N 3.41Å; A169-Q173 CarbonylContact O-C 3.29Å; A169-Q173 VanDerWaalsContact O-CA 3.24Å; A169-Q173 WeakPolarHBondContact O-CA 3.24Å; A169-Q173 PolarHBondContact O-N 3.3Å; A169-L174 PolarHBondContact O-N 2.99Å; A169-A177 HydrophobicContact CB-CB 3.6Å
170E91.7Very high87.4Confident181 Ų18151.2 Ų51.285%0.84626%0.256SS*.THydrogen-bonded Turntrans-65.9-48.9179.1-175-177.5176.200111.4L168 L172 Q173L168-E170 PolarHBondContact O-N 2.89Å; E170-L172 PolarHBondContact O-N 2.9Å; E170-Q173 PolarHBondContact O-N 2.83Å
171K94.8Very high86.5Confident100 Ų10052.2 Ų52.244%0.43526%0.261SS..THydrogen-bonded Turntrans-67.9-36.4-173.7-63.2-167.8178.5-178.50113.3L168 E198 R202L168-K171 HydrophobicContact CD2-CD 4.48Å; L168-K171 PolarHBondContact O-N 3.02Å; K171-E198 VanDerWaalsContact CD-CD 3.45Å; K171-E198 WeakPolarHBondContact CD-OE2 3.49Å; K171-E198 IonicContact NZ-OE2 2.83Å; K171-E198 PolarHBondContact NZ-OE2 3.48Å; K171-R202 PolarHBondContact O-NH2 2.68Å
172L95.4Very high85.4Confident1 Ų159.1 Ų59.11%0.00529%0.287CS..THydrogen-bonded Turntrans-99.66.6179.7-63.5-179000112.5R137 L141 L168 E170 L174 E198 V201 R202R137-L172 VanDerWaalsContact CD-O 3.32Å; R137-L172 WeakPolarHBondContact CD-O 3.45Å; R137-L172 PolarHBondContact NH1-O 3.03Å; L141-L172 HydrophobicContact CD1-CD1 4.07Å; L141-L172 HydrophobicContact CD2-CD1 4.27Å; L141-L172 HydrophobicContact CG-CD1 4.43Å; L168-L172 HydrophobicContact CB-CD1 3.71Å; L168-L172 HydrophobicContact CB-CG 4.04Å; L168-L172 HydrophobicContact CD1-CD1 3.91Å; L168-L172 HydrophobicContact CG-CD1 4.38Å; L168-L172 WeakPolarHBondContact O-CB 3.43Å; L168-L172 PolarHBondContact O-N 3.41Å; E170-L172 PolarHBondContact O-N 2.9Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 HydrophobicContact CB-CD1 4.31Å; L172-L174 HydrophobicContact CB-CD2 4.02Å; L172-L174 HydrophobicContact CB-CG 3.88Å; L172-L174 PolarHBondContact O-N 3.24Å; L172-E198 HydrophobicContact CD2-CG 4.3Å; L172-V201 HydrophobicContact CD1-CB 4.12Å; L172-V201 HydrophobicContact CD1-CG1 3.96Å; L172-V201 HydrophobicContact CD1-CG2 4.06Å; L172-V201 HydrophobicContact CD2-CB 4.13Å; L172-V201 HydrophobicContact CD2-CG1 3.77Å; L172-V201 HydrophobicContact CG-CG1 4.47Å; L172-R202 HydrophobicContact CD2-CG 4.38Å
173Q92.7Very high84.2Confident139 Ų13963.3 Ų63.365%0.6531%0.306SS*.THydrogen-bonded Turntrans5144.6178.5-58.2168.4-4.300112.6A169 E170 S175A169-Q173 CarbonylContact O-C 3.29Å; A169-Q173 VanDerWaalsContact O-CA 3.24Å; A169-Q173 WeakPolarHBondContact O-CA 3.24Å; A169-Q173 PolarHBondContact O-N 3.3Å; E170-Q173 PolarHBondContact O-N 2.83Å; Q173-S175 PolarHBondContact O-N 3.25Å; Q173-S175 VanDerWaalsContact O-N 3.17Å
174L91.8Very high83Confident7 Ų766 Ų664%0.03732%0.316CS..  trans-81.893.6179.4-51.3176.8000108.7E134 R137 L138 L141 Q165 A169 L172 T176 A177E134-L174 HydrophobicContact CG-CD2 4.13Å; R137-L174 HydrophobicContact CB-CD2 3.93Å; L138-L174 HydrophobicContact CD2-CD1 4.27Å; L138-L174 HydrophobicContact CD2-CD2 4.4Å; L138-L174 HydrophobicContact CG-CD2 4.36Å; L141-L174 HydrophobicContact CD1-CD1 3.74Å; Q165-L174 HydrophobicContact CB-CD1 4.39Å; Q165-L174 HydrophobicContact CG-CD1 4.48Å; A169-L174 PolarHBondContact O-N 2.99Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 HydrophobicContact CB-CD1 4.31Å; L172-L174 HydrophobicContact CB-CD2 4.02Å; L172-L174 HydrophobicContact CB-CG 3.88Å; L172-L174 PolarHBondContact O-N 3.24Å; L174-T176 PolarHBondContact O-N 3.48Å; L174-A177 HydrophobicContact CB-CB 3.61Å; L174-A177 HydrophobicContact CD1-CB 4.33Å; L174-A177 WeakPolarHBondContact O-CB 3.23Å; L174-A177 PolarHBondContact O-N 3.37Å; L174-A177 VanDerWaalsContact O-N 3.16Å
175S85.6Confident81.7Confident97 Ų9769.4 Ų69.468%0.67835%0.352SS*.THydrogen-bonded Turntrans-66.2-26.6-175.875.30000113.3E134 Q173E134-S175 VanDerWaalsContact CD-N 3.33Å; E134-S175 PolarHBondContact OE1-N 3.06Å; E134-S175 WeakPolarHBondContact OE2-CB 3.29Å; E134-S175 PolarHBondContact OE2-N 3.4Å; E134-S175 PolarHBondContact OE2-OG 3.49Å; Q173-S175 PolarHBondContact O-N 3.25Å; Q173-S175 VanDerWaalsContact O-N 3.17Å
176T81.9Confident80.6Confident35 Ų3572.9 Ų72.922%0.21537%0.373CS..THydrogen-bonded Turntrans-93.6-1.6177.264.90000113.1Q67 R108 E134 L174Q67-T176 PolarHBondContact NE2-O 3.33Å; Q67-T176 PolarHBondContact OE1-O 2.94Å; R108-T176 PolarHBondContact NH2-OG1 3.5Å; E134-T176 WeakPolarHBondContact OE1-CA 3.29Å; E134-T176 VanDerWaalsContact OE1-CB 3.26Å; E134-T176 WeakPolarHBondContact OE1-CB 3.37Å; E134-T176 WeakPolarHBondContact OE1-CG2 3.45Å; E134-T176 PolarHBondContact OE1-N 3.11Å; E134-T176 PolarHBondContact OE1-OG1 2.93Å; L174-T176 PolarHBondContact O-N 3.48Å
177A80.7Confident80Confident11 Ų1172 Ų729%0.09137%0.368CS..SBendtrans-70.5144.8174.500000110.7Q165 A169 L174Q165-A177 HydrophobicContact CB-CB 4.09Å; A169-A177 HydrophobicContact CB-CB 3.6Å; L174-A177 HydrophobicContact CB-CB 3.61Å; L174-A177 HydrophobicContact CD1-CB 4.33Å; L174-A177 WeakPolarHBondContact O-CB 3.23Å; L174-A177 PolarHBondContact O-N 3.37Å; L174-A177 VanDerWaalsContact O-N 3.16Å
178V74.9Confident79.7Confident10 Ų1069.1 Ų69.16%0.06136%0.361CS..  trans-73.4136.7175.3-170.20000109.9T61 F64 T166 E180T61-V178 HydrophobicContact CG2-CB 3.83Å; T61-V178 HydrophobicContact CG2-CG1 3.39Å; T61-V178 HydrophobicContact CG2-CG2 3.96Å; F64-V178 HydrophobicContact CB-CG2 3.81Å; F64-V178 VanDerWaalsContact N-CG2 3.32Å; T166-V178 WeakPolarHBondContact CA-O 3.22Å; T166-V178 WeakPolarHBondContact CB-O 3.47Å; T166-V178 VanDerWaalsContact CG2-O 3.31Å; T166-V178 WeakPolarHBondContact CG2-O 3.38Å; T166-V178 PolarHBondContact OG1-O 3.34Å; V178-E180 VanDerWaalsContact C-N 3.34Å; V178-E180 PolarHBondContact O-N 3.28Å
179K71.3Confident79.5Confident195 Ų19569.5 Ų69.585%0.84836%0.363SS*.SBendtrans-67.1-31.5-175.9-65-177.6178.2178.40114
180E69.6Low79.5Confident162 Ų16271.8 Ų71.876%0.75738%0.375SS*.  trans-138.4132.6-176.7-65.5-176.5-177.800110T61 V178T61-E180 WeakPolarHBondContact CG2-O 3.36Å; V178-E180 VanDerWaalsContact C-N 3.34Å; V178-E180 PolarHBondContact O-N 3.28Å
181M70.7Confident79.5Confident21 Ų2166.1 Ų66.110%0.10336%0.36CS..  trans-113.7109.8174.7-174-173.4-179.900108.7S57 E159 L162 A163 T166 F183 Y184S57-M181 WeakPolarHBondContact OG-CE 3.43Å; E159-M181 HydrophobicContact CG-CE 3.59Å; E159-M181 VanDerWaalsContact O-CE 3.29Å; E159-M181 WeakPolarHBondContact O-CE 3.18Å; L162-M181 HydrophobicContact CB-CE 4.29Å; L162-M181 HydrophobicContact CB-SD 4.43Å; A163-M181 WeakPolarHBondContact CA-SD 3.19Å; A163-M181 HydrophobicContact CB-CE 4.07Å; A163-M181 HydrophobicContact CB-SD 3.64Å; A163-M181 PolarHBondContact N-SD 2.99Å; T166-M181 HydrophobicContact CG2-CB 3.95Å; M181-F183 PolarHBondContact O-N 2.93Å; M181-Y184 HydrophobicContact SD-CD2 4.39Å
182R64.3Low79.5Confident145 Ų14565.5 Ų65.555%0.54736%0.361SS..THydrogen-bonded Turntrans-66.6133.2172.9-162.7-175.9179.4171.1-2.9107.9S57 N60S57-R182 PolarHBondContact OG-O 3.19Å; N60-R182 HydrophobicContact CB-CB 4.27Å
183F63.4Low79.6Confident92 Ų9267 Ų6740%0.40437%0.369SS..THydrogen-bonded Turntrans69.931.3-178.8-48.1-73.5000116V56 N60 M181 G185 V186V56-F183 HydrophobicContact CG1-CD2 3.73Å; V56-F183 HydrophobicContact CG1-CE2 3.8Å; N60-F183 HydrophobicContact CB-CE2 4.49Å; M181-F183 PolarHBondContact O-N 2.93Å; F183-G185 PolarHBondContact O-N 2.8Å; F183-V186 HydrophobicContact CB-CB 4.5Å; F183-V186 HydrophobicContact CB-CG2 3.86Å; F183-V186 WeakPolarHBondContact O-CB 3.4Å; F183-V186 PolarHBondContact O-N 3.17Å
184Y63Low79.7Confident57 Ų5761.4 Ų61.422%0.22434%0.344CS..G310 helixtrans-41.7-37.9171.5174.5-97.4000114.6A163 M167 M181 V186 S187 V189A163-Y184 HydrophobicContact CB-CD2 3.98Å; A163-Y184 HydrophobicContact CB-CE2 3.88Å; M167-Y184 HydrophobicContact CB-CE2 4.44Å; M167-Y184 HydrophobicContact CG-CD2 3.69Å; M167-Y184 HydrophobicContact CG-CE2 3.19Å; M167-Y184 HydrophobicContact SD-CD2 3.99Å; M167-Y184 HydrophobicContact SD-CE2 3.96Å; M181-Y184 HydrophobicContact SD-CD2 4.39Å; Y184-V186 PolarHBondContact O-N 3.41Å; Y184-V186 VanDerWaalsContact O-N 3.13Å; Y184-S187 WeakPolarHBondContact O-CB 3.39Å; Y184-S187 PolarHBondContact O-N 2.9Å; Y184-S187 VanDerWaalsContact O-N 3.08Å; Y184-S187 PolarHBondContact O-OG 3.06Å; Y184-V189 HydrophobicContact CE2-CB 4.29Å; Y184-V189 WeakPolarHBondContact OH-CG1 3.39Å; Y184-V189 PolarHBondContact OH-O 2.93Å
185G67.1Low80Confident73 Ų7367.7 Ų67.775%0.75337%0.367SS*.G310 helixtrans-60.2-19.5178.400000115.5F183F183-G185 PolarHBondContact O-N 2.8Å
186V67.5Low80.6Confident76 Ų7666.8 Ų66.846%0.46136%0.357SS..G310 helixtrans-76.5-26.7177.3-178.80000111.5E159 F183 Y184 G188E159-V186 WeakPolarHBondContact OE1-CB 3.47Å; E159-V186 WeakPolarHBondContact OE1-CG1 3.31Å; E159-V186 WeakPolarHBondContact OE2-CG1 3.41Å; F183-V186 HydrophobicContact CB-CB 4.5Å; F183-V186 HydrophobicContact CB-CG2 3.86Å; F183-V186 WeakPolarHBondContact O-CB 3.4Å; F183-V186 PolarHBondContact O-N 3.17Å; Y184-V186 PolarHBondContact O-N 3.41Å; Y184-V186 VanDerWaalsContact O-N 3.13Å; V186-G188 PolarHBondContact O-N 3.42Å; V186-G188 VanDerWaalsContact O-N 3.14Å
187S76.2Confident81.3Confident0 Ų065.1 Ų65.10%035%0.347CS..G310 helixtrans-65.3-17.6-178.270.80000115.2L152 A163 Y184 V189L152-S187 VanDerWaalsContact CD1-O 3.28Å; L152-S187 WeakPolarHBondContact CD1-O 3.45Å; A163-S187 VanDerWaalsContact CB-CB 3.4Å; A163-S187 WeakPolarHBondContact CB-OG 3.33Å; Y184-S187 WeakPolarHBondContact O-CB 3.39Å; Y184-S187 PolarHBondContact O-N 2.9Å; Y184-S187 VanDerWaalsContact O-N 3.08Å; Y184-S187 PolarHBondContact O-OG 3.06Å; S187-V189 PolarHBondContact O-N 3.44Å; S187-V189 VanDerWaalsContact O-N 3.07Å; S187-V189 PolarHBondContact OG-N 3.48Å
188G84.7Confident82.2Confident30 Ų3066.2 Ų66.231%0.30935%0.351SS..  trans65.66.3-173.500000114.7K148 V186 T190K148-G188 WeakPolarHBondContact CE-O 3.38Å; V186-G188 PolarHBondContact O-N 3.42Å; V186-G188 VanDerWaalsContact O-N 3.14Å; G188-T190 PolarHBondContact O-N 3.05Å
189V89.4Confident83.3Confident9 Ų968.6 Ų68.66%0.05537%0.371CS..  trans-76.5120.6177.9179.60000109.7V160 A163 F164 Y184 S187 D193 L194V160-V189 HydrophobicContact CG1-CG2 3.8Å; A163-V189 HydrophobicContact CB-CB 4.31Å; A163-V189 HydrophobicContact CB-CG2 3.88Å; F164-V189 HydrophobicContact CD1-CG1 4.08Å; F164-V189 HydrophobicContact CD2-CG2 4.22Å; F164-V189 HydrophobicContact CE1-CG1 3.73Å; F164-V189 HydrophobicContact CE2-CG1 4.49Å; F164-V189 HydrophobicContact CE2-CG2 3.94Å; F164-V189 HydrophobicContact CZ-CG1 3.95Å; F164-V189 HydrophobicContact CZ-CG2 4.14Å; Y184-V189 HydrophobicContact CE2-CB 4.29Å; Y184-V189 WeakPolarHBondContact OH-CG1 3.39Å; Y184-V189 PolarHBondContact OH-O 2.93Å; S187-V189 PolarHBondContact O-N 3.44Å; S187-V189 VanDerWaalsContact O-N 3.07Å; S187-V189 PolarHBondContact OG-N 3.48Å; V189-D193 HydrophobicContact CG1-CB 4.16Å; V189-L194 HydrophobicContact CG1-CD2 3.67Å; V189-L194 HydrophobicContact CG1-CG 3.89Å
190T92Very high84.6Confident66 Ų6663.7 Ų63.741%0.40535%0.352SS..  trans-96.1163.6179.772.20000111.8G188 N192 D193 L194G188-T190 PolarHBondContact O-N 3.05Å; T190-N192 PolarHBondContact O-N 3.49Å; T190-N192 VanDerWaalsContact O-N 3.15Å; T190-N192 PolarHBondContact OG1-N 3.2Å; T190-D193 WeakPolarHBondContact CA-OD2 3.46Å; T190-D193 VanDerWaalsContact CB-OD2 3.29Å; T190-D193 WeakPolarHBondContact CB-OD2 3.26Å; T190-D193 WeakPolarHBondContact CG2-OD2 3.36Å; T190-D193 PolarHBondContact N-OD2 3.3Å; T190-D193 WeakPolarHBondContact O-CB 3.48Å; T190-D193 PolarHBondContact O-N 2.87Å; T190-D193 VanDerWaalsContact O-N 3.09Å; T190-D193 PolarHBondContact OG1-N 2.79Å; T190-D193 PolarHBondContact OG1-OD2 3.44Å; T190-L194 WeakPolarHBondContact O-CG 3.28Å; T190-L194 PolarHBondContact O-N 3.22Å
191A92.3Very high86Confident63 Ų6356 Ų5652%0.52132%0.316SS..Hα-helixtrans-59.3-25.2172.200000113.3R195A191-R195 WeakPolarHBondContact O-CG 3.37Å; A191-R195 PolarHBondContact O-N 3.03Å; A191-R195 PolarHBondContact O-NH1 3.01Å
192N95.5Very high87.3Confident87 Ų8760.2 Ų60.247%0.46533%0.331SS..Hα-helixtrans-72.9-44.8174.1-170.870.4000111.5T190 L194 R195 T196T190-N192 PolarHBondContact O-N 3.49Å; T190-N192 VanDerWaalsContact O-N 3.15Å; T190-N192 PolarHBondContact OG1-N 3.2Å; N192-L194 VanDerWaalsContact C-N 3.27Å; N192-L194 PolarHBondContact O-N 3.06Å; N192-R195 PolarHBondContact O-N 3.4Å; N192-R195 PolarHBondContact OD1-NH2 3.35Å; N192-T196 PolarHBondContact O-N 2.95Å; N192-T196 PolarHBondContact O-OG1 3.47Å
193D96.3Very high88.9Confident33 Ų3356.1 Ų56.118%0.17633%0.325CS..Hα-helixtrans-57.5-43.5176.1-56.4-56.9000110.5K148 F164 V189 T190 R195 T196 A197K148-D193 WeakPolarHBondContact CE-OD2 3.24Å; K148-D193 IonicContact NZ-OD1 3.26Å; K148-D193 PolarHBondContact NZ-OD1 3.33Å; K148-D193 IonicContact NZ-OD2 3.11Å; K148-D193 PolarHBondContact NZ-OD2 3.34Å; F164-D193 HydrophobicContact CE1-CB 3.98Å; F164-D193 HydrophobicContact CZ-CB 3.94Å; V189-D193 HydrophobicContact CG1-CB 4.16Å; T190-D193 WeakPolarHBondContact CA-OD2 3.46Å; T190-D193 VanDerWaalsContact CB-OD2 3.29Å; T190-D193 WeakPolarHBondContact CB-OD2 3.26Å; T190-D193 WeakPolarHBondContact CG2-OD2 3.36Å; T190-D193 PolarHBondContact N-OD2 3.3Å; T190-D193 WeakPolarHBondContact O-CB 3.48Å; T190-D193 PolarHBondContact O-N 2.87Å; T190-D193 VanDerWaalsContact O-N 3.09Å; T190-D193 PolarHBondContact OG1-N 2.79Å; T190-D193 PolarHBondContact OG1-OD2 3.44Å; D193-R195 PolarHBondContact O-N 3.15Å; D193-T196 PolarHBondContact O-N 2.85Å; D193-A197 WeakPolarHBondContact O-CB 3.34Å; D193-A197 PolarHBondContact O-N 2.94Å
194L96.1Very high90.6Very high21 Ų2154.9 Ų54.911%0.1132%0.318CS..Hα-helixtrans-60.3-43.3177.1-66176.4000113F164 M167 L168 V189 T190 N192 A197 E198F164-L194 HydrophobicContact CD1-CD2 3.82Å; F164-L194 HydrophobicContact CE1-CD2 4.21Å; M167-L194 HydrophobicContact CB-CD1 3.75Å; M167-L194 HydrophobicContact CB-CD2 3.61Å; M167-L194 HydrophobicContact CB-CG 4.36Å; M167-L194 HydrophobicContact CE-CD1 4.38Å; M167-L194 HydrophobicContact CG-CD1 4.19Å; M167-L194 HydrophobicContact CG-CD2 4.37Å; L168-L194 HydrophobicContact CD1-CD2 4.41Å; L168-L194 HydrophobicContact CD2-CB 4.25Å; L168-L194 HydrophobicContact CD2-CD2 4.33Å; L168-L194 HydrophobicContact CG-CD2 4.06Å; V189-L194 HydrophobicContact CG1-CD2 3.67Å; V189-L194 HydrophobicContact CG1-CG 3.89Å; T190-L194 WeakPolarHBondContact O-CG 3.28Å; T190-L194 PolarHBondContact O-N 3.22Å; N192-L194 VanDerWaalsContact C-N 3.27Å; N192-L194 PolarHBondContact O-N 3.06Å; L194-A197 PolarHBondContact O-N 3.08Å; L194-E198 WeakPolarHBondContact O-CB 3.21Å; L194-E198 PolarHBondContact O-N 2.96Å
195R97.4Very high92.2Very high138 Ų13853.2 Ų53.252%0.52131%0.312SS..Hα-helixtrans-66.2-43.6177.7-73.8-170.8-54.7-91.1-0.5111.7A191 N192 D193 A199A191-R195 WeakPolarHBondContact O-CG 3.37Å; A191-R195 PolarHBondContact O-N 3.03Å; A191-R195 PolarHBondContact O-NH1 3.01Å; N192-R195 PolarHBondContact O-N 3.4Å; N192-R195 PolarHBondContact OD1-NH2 3.35Å; D193-R195 PolarHBondContact O-N 3.15Å; R195-A199 WeakPolarHBondContact O-CB 3.35Å; R195-A199 PolarHBondContact O-N 2.75Å
196T97.8Very high93.7Very high78 Ų7857.7 Ų57.748%0.47931%0.313SS..Hα-helixtrans-64.1-43.4177.4-63.30000110.8N192 D193 A199 M200N192-T196 PolarHBondContact O-N 2.95Å; N192-T196 PolarHBondContact O-OG1 3.47Å; D193-T196 PolarHBondContact O-N 2.85Å; T196-A199 PolarHBondContact O-N 2.82Å; T196-M200 WeakPolarHBondContact O-CB 3.45Å; T196-M200 PolarHBondContact O-N 3.32Å
197A98.2Very high95.1Very high1 Ų159.1 Ų59.11%0.00832%0.318CS..Hα-helixtrans-63.1-46177.700000112L141 I144 F164 L168 D193 L194 A199 M200 V201L141-A197 HydrophobicContact CD2-CB 4.24Å; I144-A197 HydrophobicContact CD1-CB 3.94Å; I144-A197 HydrophobicContact CG2-CB 4.08Å; F164-A197 HydrophobicContact CD1-CB 3.85Å; F164-A197 HydrophobicContact CE1-CB 3.69Å; L168-A197 HydrophobicContact CD1-CB 3.94Å; D193-A197 WeakPolarHBondContact O-CB 3.34Å; D193-A197 PolarHBondContact O-N 2.94Å; L194-A197 PolarHBondContact O-N 3.08Å; A197-A199 PolarHBondContact O-N 3.27Å; A197-M200 PolarHBondContact O-N 3.35Å; A197-V201 VanDerWaalsContact O-CG2 3.28Å; A197-V201 WeakPolarHBondContact O-CG2 3.29Å; A197-V201 PolarHBondContact O-N 3.28Å
198E98.3Very high96.1Very high34 Ų3462.7 Ų62.716%0.15934%0.335CS..Hα-helixtrans-57-48.6175.1-177.2-176.7178.900111.7L168 K171 L172 L194 M200 V201 R202L168-E198 HydrophobicContact CD2-CB 4.11Å; K171-E198 VanDerWaalsContact CD-CD 3.45Å; K171-E198 WeakPolarHBondContact CD-OE2 3.49Å; K171-E198 IonicContact NZ-OE2 2.83Å; K171-E198 PolarHBondContact NZ-OE2 3.48Å; L172-E198 HydrophobicContact CD2-CG 4.3Å; L194-E198 WeakPolarHBondContact O-CB 3.21Å; L194-E198 PolarHBondContact O-N 2.96Å; E198-M200 VanDerWaalsContact C-N 3.35Å; E198-M200 PolarHBondContact O-N 2.79Å; E198-V201 PolarHBondContact O-N 3.32Å; E198-R202 WeakPolarHBondContact O-CG 3.06Å; E198-R202 PolarHBondContact O-N 2.99Å; E198-R202 IonicContact OE1-CZ 2.78Å; E198-R202 IonicContact OE1-NE 3.91Å; E198-R202 PolarHBondContact OE1-NE 2.75Å; E198-R202 VanDerWaalsContact OE1-NE 3.15Å; E198-R202 IonicContact OE1-NH2 2.94Å; E198-R202 PolarHBondContact OE1-NH2 2.75Å
199A98.4Very high96.7Very high60 Ų6061.5 Ų61.550%0.49632%0.321SS..Hα-helixtrans-62.8-41.9179.800000112R195 T196 A197 S203R195-A199 WeakPolarHBondContact O-CB 3.35Å; R195-A199 PolarHBondContact O-N 2.75Å; T196-A199 PolarHBondContact O-N 2.82Å; A197-A199 PolarHBondContact O-N 3.27Å; A199-S203 VanDerWaalsContact O-CB 3.31Å; A199-S203 WeakPolarHBondContact O-CB 3.33Å; A199-S203 PolarHBondContact O-N 3.45Å
200M98.4Very high96.9Very high91 Ų9163.7 Ų63.745%0.44833%0.334SS..Hα-helixtrans-63.1-47.8177.4-171.468.773.800111.5I140 I144 T196 A197 E198 R202 S203 R204I140-M200 HydrophobicContact CG2-CG 4.44Å; I144-M200 HydrophobicContact CD1-CB 4.18Å; I144-M200 HydrophobicContact CD1-CG 4.25Å; T196-M200 WeakPolarHBondContact O-CB 3.45Å; T196-M200 PolarHBondContact O-N 3.32Å; A197-M200 PolarHBondContact O-N 3.35Å; E198-M200 VanDerWaalsContact C-N 3.35Å; E198-M200 PolarHBondContact O-N 2.79Å; M200-R202 PolarHBondContact O-N 3.18Å; M200-S203 PolarHBondContact O-N 2.92Å; M200-R204 HydrophobicContact CG-CG 4.48Å; M200-R204 WeakPolarHBondContact O-CB 3.32Å; M200-R204 WeakPolarHBondContact O-CG 3.27Å; M200-R204 PolarHBondContact O-N 3.21Å; M200-R204 HydrophobicContact SD-CG 4.41Å
201V98.7Very high97.1Very high0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-59.7-47.2179.31720000110.8R137 I140 L141 I144 L172 A197 E198 R204 E205R137-V201 HydrophobicContact CB-CG1 3.81Å; R137-V201 HydrophobicContact CG-CG1 3.57Å; I140-V201 HydrophobicContact CB-CG2 4.07Å; I140-V201 HydrophobicContact CG2-CB 4.48Å; I140-V201 HydrophobicContact CG2-CG2 3.64Å; L141-V201 HydrophobicContact CD2-CG2 3.69Å; L141-V201 HydrophobicContact CG-CG2 4.06Å; I144-V201 HydrophobicContact CD1-CG2 4.31Å; L172-V201 HydrophobicContact CD1-CB 4.12Å; L172-V201 HydrophobicContact CD1-CG1 3.96Å; L172-V201 HydrophobicContact CD1-CG2 4.06Å; L172-V201 HydrophobicContact CD2-CB 4.13Å; L172-V201 HydrophobicContact CD2-CG1 3.77Å; L172-V201 HydrophobicContact CG-CG1 4.47Å; A197-V201 VanDerWaalsContact O-CG2 3.28Å; A197-V201 WeakPolarHBondContact O-CG2 3.29Å; A197-V201 PolarHBondContact O-N 3.28Å; E198-V201 PolarHBondContact O-N 3.32Å; V201-R204 PolarHBondContact O-N 2.91Å; V201-E205 VanDerWaalsContact O-CB 3.3Å; V201-E205 WeakPolarHBondContact O-CB 3.43Å; V201-E205 PolarHBondContact O-N 3.47Å
202R98.3Very high97.3Very high110 Ų11061.3 Ų61.342%0.41531%0.307SS..Hα-helixtrans-62.9-44.9179-69.9-175.5-170.7-65.1-1.6112.1K171 L172 E198 M200 E205 E206K171-R202 PolarHBondContact O-NH2 2.68Å; L172-R202 HydrophobicContact CD2-CG 4.38Å; E198-R202 WeakPolarHBondContact O-CG 3.06Å; E198-R202 PolarHBondContact O-N 2.99Å; E198-R202 IonicContact OE1-CZ 2.78Å; E198-R202 IonicContact OE1-NE 3.91Å; E198-R202 PolarHBondContact OE1-NE 2.75Å; E198-R202 VanDerWaalsContact OE1-NE 3.15Å; E198-R202 IonicContact OE1-NH2 2.94Å; E198-R202 PolarHBondContact OE1-NH2 2.75Å; M200-R202 PolarHBondContact O-N 3.18Å; R202-E205 PolarHBondContact O-N 3.45Å; R202-E206 PolarHBondContact O-N 2.92Å
203S98.3Very high97.4Very high59 Ų5957.2 Ų57.241%0.41329%0.285SS..Hα-helixtrans-63.2-45.9179.3-179.60000111.5A199 M200 E206 N207A199-S203 VanDerWaalsContact O-CB 3.31Å; A199-S203 WeakPolarHBondContact O-CB 3.33Å; A199-S203 PolarHBondContact O-N 3.45Å; M200-S203 PolarHBondContact O-N 2.92Å; S203-E206 PolarHBondContact O-N 3.49Å; S203-N207 PolarHBondContact O-N 3.13Å; S203-N207 PolarHBondContact O-ND2 2.91Å
204R98.5Very high97.5Very high67 Ų6755.7 Ų55.725%0.25328%0.277SS..Hα-helixtrans-67.6-37.6177.1-68.7-171.866.8-169.7-6.7111.9F136 I140 D143 M200 V201 E206 N207 E208F136-R204 HydrophobicContact CE1-CB 4.35Å; F136-R204 HydrophobicContact CZ-CB 4.28Å; I140-R204 HydrophobicContact CD1-CB 3.54Å; I140-R204 HydrophobicContact CD1-CG 4.4Å; I140-R204 HydrophobicContact CG1-CB 4.47Å; D143-R204 IonicContact OD2-NH1 2.78Å; D143-R204 PolarHBondContact OD2-NH1 3.35Å; M200-R204 HydrophobicContact CG-CG 4.48Å; M200-R204 WeakPolarHBondContact O-CB 3.32Å; M200-R204 WeakPolarHBondContact O-CG 3.27Å; M200-R204 PolarHBondContact O-N 3.21Å; M200-R204 HydrophobicContact SD-CG 4.41Å; V201-R204 PolarHBondContact O-N 2.91Å; R204-E206 VanDerWaalsContact C-N 3.33Å; R204-E206 PolarHBondContact O-N 3.49Å; R204-N207 PolarHBondContact O-N 2.92Å; R204-E208 WeakPolarHBondContact CG-OE1 3.48Å; R204-E208 IonicContact CZ-OE2 3.26Å; R204-E208 VanDerWaalsContact CZ-OE2 3.28Å; R204-E208 IonicContact NE-OE1 3.55Å; R204-E208 PolarHBondContact NE-OE1 3.01Å; R204-E208 IonicContact NE-OE2 2.83Å; R204-E208 PolarHBondContact NE-OE2 3.08Å; R204-E208 IonicContact NH2-OE2 3.96Å; R204-E208 PolarHBondContact NH2-OE2 3.12Å; R204-E208 WeakPolarHBondContact O-CA 3.45Å; R204-E208 VanDerWaalsContact O-CB 3.27Å; R204-E208 WeakPolarHBondContact O-CB 3.34Å; R204-E208 PolarHBondContact O-N 3.47Å
205E98.1Very high97.5Very high21 Ų2158 Ų5810%0.09829%0.289CS..Hα-helixtrans-63.5-39.9177.2-172-177-179.700112.1R133 F136 R137 V201 R202 N207 F209R133-E205 WeakPolarHBondContact CD-OE1 3.47Å; R133-E205 IonicContact CZ-OE1 2.83Å; R133-E205 IonicContact NH1-OE1 2.99Å; R133-E205 PolarHBondContact NH1-OE1 3.13Å; F136-E205 HydrophobicContact CD1-CB 4.12Å; F136-E205 HydrophobicContact CD1-CG 4.21Å; F136-E205 HydrophobicContact CE1-CB 3.88Å; F136-E205 HydrophobicContact CE1-CG 4.36Å; R137-E205 IonicContact CZ-OE1 2.83Å; R137-E205 IonicContact CZ-OE2 2.99Å; R137-E205 VanDerWaalsContact CZ-OE2 3.29Å; R137-E205 IonicContact NE-OE1 3.05Å; R137-E205 PolarHBondContact NE-OE1 2.96Å; R137-E205 IonicContact NE-OE2 3.22Å; R137-E205 PolarHBondContact NE-OE2 3.27Å; R137-E205 VanDerWaalsContact NH2-CD 3.27Å; R137-E205 IonicContact NH2-OE1 2.56Å; R137-E205 PolarHBondContact NH2-OE1 3.27Å; R137-E205 IonicContact NH2-OE2 3.09Å; R137-E205 PolarHBondContact NH2-OE2 3.44Å; V201-E205 VanDerWaalsContact O-CB 3.3Å; V201-E205 WeakPolarHBondContact O-CB 3.43Å; V201-E205 PolarHBondContact O-N 3.47Å; R202-E205 PolarHBondContact O-N 3.45Å; E205-N207 VanDerWaalsContact C-N 3.3Å; E205-N207 PolarHBondContact O-N 3.28Å; E205-F209 HydrophobicContact CG-CB 4.01Å; E205-F209 HydrophobicContact CG-CG 4.37Å; E205-F209 WeakPolarHBondContact O-CB 3.46Å; E205-F209 PolarHBondContact O-N 2.89Å
206E96.6Very high97.4Very high167 Ų16751.7 Ų51.778%0.7827%0.265SS*.Hα-helixtrans-63.3-36.7177-175.8174.7-16600112.6R202 S203 R204R202-E206 PolarHBondContact O-N 2.92Å; S203-E206 PolarHBondContact O-N 3.49Å; R204-E206 VanDerWaalsContact C-N 3.33Å; R204-E206 PolarHBondContact O-N 3.49Å
207N97Very high97.3Very high107 Ų10749.4 Ų49.457%0.57226%0.257SS*.Hα-helixtrans-100.4-29.4-170.1-67.4-73.2000114.5S203 R204 E205S203-N207 PolarHBondContact O-N 3.13Å; S203-N207 PolarHBondContact O-ND2 2.91Å; R204-N207 PolarHBondContact O-N 2.92Å; E205-N207 VanDerWaalsContact C-N 3.3Å; E205-N207 PolarHBondContact O-N 3.28Å
208E97.1Very high97.3Very high74 Ų7449.3 Ų49.335%0.34626%0.256SS..Hα-helixtrans-118.4-14.5-167.3-57.8169.4-153.800113F136 R204 T210 D211 W212F136-E208 HydrophobicContact CE2-CB 4.32Å; F136-E208 HydrophobicContact CZ-CB 3.9Å; R204-E208 WeakPolarHBondContact CG-OE1 3.48Å; R204-E208 IonicContact CZ-OE2 3.26Å; R204-E208 VanDerWaalsContact CZ-OE2 3.28Å; R204-E208 IonicContact NE-OE1 3.55Å; R204-E208 PolarHBondContact NE-OE1 3.01Å; R204-E208 IonicContact NE-OE2 2.83Å; R204-E208 PolarHBondContact NE-OE2 3.08Å; R204-E208 IonicContact NH2-OE2 3.96Å; R204-E208 PolarHBondContact NH2-OE2 3.12Å; R204-E208 WeakPolarHBondContact O-CA 3.45Å; R204-E208 VanDerWaalsContact O-CB 3.27Å; R204-E208 WeakPolarHBondContact O-CB 3.34Å; R204-E208 PolarHBondContact O-N 3.47Å; E208-T210 PolarHBondContact O-N 3.26Å; E208-D211 PolarHBondContact O-N 2.84Å; E208-W212 WeakPolarHBondContact O-CB 3.49Å; E208-W212 PolarHBondContact O-N 2.79Å
209F97.5Very high97.3Very high6 Ų647.7 Ų47.73%0.02625%0.249CC..Hα-helixtrans-61.5-44.9-171.1174.2-103.9000113.1L129 R133 F136 E205 D211 W212 F213L129-F209 HydrophobicContact CD1-CE1 3.78Å; L129-F209 HydrophobicContact CD1-CZ 3.88Å; R133-F209 HydrophobicContact CB-CE2 4.15Å; R133-F209 HydrophobicContact CB-CZ 4.32Å; R133-F209 HydrophobicContact CG-CD1 4.37Å; R133-F209 HydrophobicContact CG-CD2 4.12Å; R133-F209 HydrophobicContact CG-CE1 3.78Å; R133-F209 HydrophobicContact CG-CE2 3.52Å; R133-F209 HydrophobicContact CG-CZ 3.31Å; R133-F209 VanDerWaalsContact CZ-CE1 3.45Å; R133-F209 VanDerWaalsContact NH1-CD1 3.34Å; F136-F209 HydrophobicContact CB-CD2 3.91Å; F136-F209 HydrophobicContact CB-CE2 4.23Å; F136-F209 HydrophobicContact CD1-CD2 4.16Å; F136-F209 HydrophobicContact CD2-CD2 4.41Å; F136-F209 AromaticContact CG-CD2 3.89Å; F136-F209 HydrophobicContact CG-CD2 3.89Å; E205-F209 HydrophobicContact CG-CB 4.01Å; E205-F209 HydrophobicContact CG-CG 4.37Å; E205-F209 WeakPolarHBondContact O-CB 3.46Å; E205-F209 PolarHBondContact O-N 2.89Å; F209-D211 VanDerWaalsContact C-N 3.3Å; F209-D211 PolarHBondContact O-N 3.36Å; F209-W212 HydrophobicContact CD2-CE3 4.42Å; F209-W212 HydrophobicContact CE2-CE3 4.27Å; F209-W212 HydrophobicContact CE2-CZ3 4.35Å; F209-W212 PolarHBondContact O-N 2.88Å; F209-F213 HydrophobicContact CE1-CB 4.23Å; F209-F213 HydrophobicContact CE1-CG 4.43Å; F209-F213 HydrophobicContact CE2-CB 4.16Å; F209-F213 HydrophobicContact CE2-CD2 4.21Å; F209-F213 HydrophobicContact CZ-CB 3.95Å; F209-F213 AromaticContact CZ-CD2 3.76Å; F209-F213 HydrophobicContact CZ-CD2 3.76Å; F209-F213 AromaticContact CZ-CG 4Å; F209-F213 HydrophobicContact CZ-CG 4Å; F209-F213 VanDerWaalsContact O-CB 3.22Å; F209-F213 WeakPolarHBondContact O-CB 3.34Å; F209-F213 PolarHBondContact O-N 2.89Å
210T94.9Very high97.3Very high54 Ų5446.1 Ų46.133%0.33123%0.231SC..Hα-helixtrans-61.4-42.8-178.2-56.70000111.2E208 F213 S214E208-T210 PolarHBondContact O-N 3.26Å; T210-F213 PolarHBondContact O-N 3.47Å; T210-S214 WeakPolarHBondContact O-CB 3.27Å; T210-S214 PolarHBondContact O-N 3.43Å
211D95.2Very high97.2Very high30 Ų3042.1 Ų42.116%0.1621%0.213CC..Hα-helixtrans-64.9-48.7177.1-74-50.9000111.7E208 F209 F213 S214 L215 Q279 R283E208-D211 PolarHBondContact O-N 2.84Å; F209-D211 VanDerWaalsContact C-N 3.3Å; F209-D211 PolarHBondContact O-N 3.36Å; D211-F213 VanDerWaalsContact C-N 3.35Å; D211-F213 PolarHBondContact O-N 3.36Å; D211-S214 PolarHBondContact O-N 2.74Å; D211-S214 PolarHBondContact O-OG 2.95Å; D211-L215 PolarHBondContact O-N 3.33Å; D211-Q279 VanDerWaalsContact CB-NE2 3.29Å; D211-Q279 PolarHBondContact OD1-NE2 2.93Å; D211-Q279 PolarHBondContact OD2-NE2 3.35Å; D211-R283 WeakPolarHBondContact OD1-CD 3.49Å; D211-R283 IonicContact OD1-CZ 3.11Å; D211-R283 IonicContact OD1-NE 2.76Å; D211-R283 IonicContact OD1-NH1 2.77Å; D211-R283 PolarHBondContact OD1-NH1 3.41Å; D211-R283 IonicContact OD2-CZ 3.47Å; D211-R283 IonicContact OD2-NH1 3.23Å; D211-R283 PolarHBondContact OD2-NH1 3.44Å
212W97Very high97.2Very high49 Ų4942.1 Ų42.119%0.18621%0.213CC..Hα-helixtrans-59.2-45.4176.3179.199.2000112.1G132 M135 F136 E139 E208 F209 S214 L215 W216G132-W212 WeakPolarHBondContact O-CZ3 3.37Å; M135-W212 HydrophobicContact CB-CH2 3.94Å; F136-W212 HydrophobicContact CB-CD2 4.25Å; F136-W212 HydrophobicContact CB-CE3 4Å; F136-W212 HydrophobicContact CB-CH2 4.21Å; F136-W212 HydrophobicContact CB-CZ2 4.41Å; F136-W212 HydrophobicContact CB-CZ3 4.01Å; F136-W212 HydrophobicContact CD2-CB 3.73Å; F136-W212 AromaticContact CD2-CD1 3.7Å; F136-W212 AromaticContact CD2-CD2 3.47Å; F136-W212 HydrophobicContact CD2-CD2 3.47Å; F136-W212 VanDerWaalsContact CD2-CD2 3.47Å; F136-W212 AromaticContact CD2-CE2 3.89Å; F136-W212 AromaticContact CD2-CE3 3.9Å; F136-W212 HydrophobicContact CD2-CE3 3.9Å; F136-W212 AromaticContact CD2-CG 3.37Å; F136-W212 HydrophobicContact CD2-CG 3.37Å; F136-W212 AromaticContact CD2-NE1 3.97Å; F136-W212 HydrophobicContact CE2-CB 3.67Å; F136-W212 AromaticContact CE2-CD1 3.92Å; F136-W212 HydrophobicContact CE2-CD2 4.29Å; F136-W212 AromaticContact CE2-CG 3.7Å; F136-W212 HydrophobicContact CE2-CG 3.7Å; F136-W212 HydrophobicContact CG-CD2 4.32Å; F136-W212 HydrophobicContact CG-CE3 4.36Å; E139-W212 PolarHBondContact OE2-NE1 2.78Å; E208-W212 WeakPolarHBondContact O-CB 3.49Å; E208-W212 PolarHBondContact O-N 2.79Å; F209-W212 HydrophobicContact CD2-CE3 4.42Å; F209-W212 HydrophobicContact CE2-CE3 4.27Å; F209-W212 HydrophobicContact CE2-CZ3 4.35Å; F209-W212 PolarHBondContact O-N 2.88Å; W212-S214 VanDerWaalsContact C-N 3.31Å; W212-S214 PolarHBondContact O-N 3.26Å; W212-L215 PolarHBondContact O-N 2.97Å; W212-L215 VanDerWaalsContact O-N 3.15Å; W212-W216 HydrophobicContact CE3-CB 4.33Å; W212-W216 HydrophobicContact CE3-CG 4.39Å; W212-W216 HydrophobicContact CH2-CB 4.39Å; W212-W216 AromaticContact CH2-CD1 3.33Å; W212-W216 AromaticContact CH2-CD2 3.79Å; W212-W216 HydrophobicContact CH2-CD2 3.79Å; W212-W216 AromaticContact CH2-CE2 3.63Å; W212-W216 AromaticContact CH2-CG 3.63Å; W212-W216 HydrophobicContact CH2-CG 3.63Å; W212-W216 HydrophobicContact CH2-CZ2 4.38Å; W212-W216 AromaticContact CH2-NE1 3.35Å; W212-W216 VanDerWaalsContact CH2-NE1 3.35Å; W212-W216 AromaticContact CZ2-CD1 3.61Å; W212-W216 HydrophobicContact CZ2-CG 4.23Å; W212-W216 AromaticContact CZ2-NE1 3.81Å; W212-W216 HydrophobicContact CZ3-CB 4.1Å; W212-W216 AromaticContact CZ3-CD1 3.9Å; W212-W216 AromaticContact CZ3-CD2 3.85Å; W212-W216 HydrophobicContact CZ3-CD2 3.85Å; W212-W216 HydrophobicContact CZ3-CE3 4.39Å; W212-W216 AromaticContact CZ3-CG 3.72Å; W212-W216 HydrophobicContact CZ3-CG 3.72Å; W212-W216 PolarHBondContact O-N 2.83Å
213F97.9Very high97.1Very high2 Ų236.9 Ų36.91%0.00919%0.193CC..Hα-helixtrans-65.4-37.4-178.2-173.9-97000111.3L128 L129 F209 T210 D211 L215 W216 W219 T286 L290L128-F213 HydrophobicContact CG-CZ 4.49Å; L129-F213 HydrophobicContact CD1-CD1 4.19Å; L129-F213 HydrophobicContact CD1-CD2 4.27Å; L129-F213 HydrophobicContact CD1-CE1 3.94Å; L129-F213 HydrophobicContact CD1-CE2 4Å; L129-F213 HydrophobicContact CD1-CG 4.36Å; L129-F213 HydrophobicContact CD1-CZ 3.83Å; F209-F213 HydrophobicContact CE1-CB 4.23Å; F209-F213 HydrophobicContact CE1-CG 4.43Å; F209-F213 HydrophobicContact CE2-CB 4.16Å; F209-F213 HydrophobicContact CE2-CD2 4.21Å; F209-F213 HydrophobicContact CZ-CB 3.95Å; F209-F213 AromaticContact CZ-CD2 3.76Å; F209-F213 HydrophobicContact CZ-CD2 3.76Å; F209-F213 AromaticContact CZ-CG 4Å; F209-F213 HydrophobicContact CZ-CG 4Å; F209-F213 VanDerWaalsContact O-CB 3.22Å; F209-F213 WeakPolarHBondContact O-CB 3.34Å; F209-F213 PolarHBondContact O-N 2.89Å; T210-F213 PolarHBondContact O-N 3.47Å; D211-F213 VanDerWaalsContact C-N 3.35Å; D211-F213 PolarHBondContact O-N 3.36Å; F213-L215 PolarHBondContact O-N 3.45Å; F213-W216 AromaticContact CD2-CE3 3.79Å; F213-W216 HydrophobicContact CD2-CE3 3.79Å; F213-W216 HydrophobicContact CD2-CZ3 4.35Å; F213-W216 AromaticContact CE2-CE3 3.56Å; F213-W216 HydrophobicContact CE2-CE3 3.56Å; F213-W216 AromaticContact CE2-CZ3 3.79Å; F213-W216 HydrophobicContact CE2-CZ3 3.79Å; F213-W216 HydrophobicContact CZ-CE3 4.49Å; F213-W216 VanDerWaalsContact O-CB 3.29Å; F213-W216 WeakPolarHBondContact O-CB 3.48Å; F213-W216 PolarHBondContact O-N 3.06Å; F213-W219 HydrophobicContact CD1-CD2 4.48Å; F213-W219 HydrophobicContact CD1-CG 4.13Å; F213-W219 HydrophobicContact CE1-CB 4.1Å; F213-W219 AromaticContact CE1-CD1 3.84Å; F213-W219 AromaticContact CE1-CD2 3.58Å; F213-W219 HydrophobicContact CE1-CD2 3.58Å; F213-W219 AromaticContact CE1-CE2 3.84Å; F213-W219 HydrophobicContact CE1-CE3 4.09Å; F213-W219 AromaticContact CE1-CG 3.59Å; F213-W219 HydrophobicContact CE1-CG 3.59Å; F213-W219 HydrophobicContact CE1-CZ2 4.5Å; F213-W219 AromaticContact CE1-NE1 3.96Å; F213-W219 HydrophobicContact CE2-CB 4.41Å; F213-W219 HydrophobicContact CZ-CB 4Å; F213-W219 AromaticContact CZ-CD2 3.95Å; F213-W219 HydrophobicContact CZ-CD2 3.95Å; F213-W219 HydrophobicContact CZ-CE3 4.1Å; F213-W219 AromaticContact CZ-CG 3.93Å; F213-W219 HydrophobicContact CZ-CG 3.93Å; F213-W219 VanDerWaalsContact O-CD1 3.3Å; F213-T286 HydrophobicContact CD1-CG2 3.99Å; F213-T286 HydrophobicContact CE1-CG2 4.36Å; F213-L290 HydrophobicContact CE1-CD1 4.5Å
214S97Very high97Very high0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-60.9-23.8176.578.40000113.7T210 D211 W212 H220 Y282 T286T210-S214 WeakPolarHBondContact O-CB 3.27Å; T210-S214 PolarHBondContact O-N 3.43Å; D211-S214 PolarHBondContact O-N 2.74Å; D211-S214 PolarHBondContact O-OG 2.95Å; W212-S214 VanDerWaalsContact C-N 3.31Å; W212-S214 PolarHBondContact O-N 3.26Å; S214-H220 PolarHBondContact O-CD2 3.33Å; S214-H220 PolarHBondContact O-NE2 3.44Å; S214-Y282 WeakPolarHBondContact O-CB 3.34Å; S214-T286 WeakPolarHBondContact CA-OG1 3.41Å; S214-T286 WeakPolarHBondContact CB-OG1 3.43Å
215L96.2Very high96.9Very high69 Ų6941.9 Ų41.936%0.36121%0.206SC..THydrogen-bonded Turntrans-103.83.4178.1-61.9177.8000112.7D211 W212 F213 G217 E278 Q279 Y282D211-L215 PolarHBondContact O-N 3.33Å; W212-L215 PolarHBondContact O-N 2.97Å; W212-L215 VanDerWaalsContact O-N 3.15Å; F213-L215 PolarHBondContact O-N 3.45Å; L215-G217 PolarHBondContact O-N 2.51Å; L215-E278 HydrophobicContact CD2-CB 4.31Å; L215-Q279 HydrophobicContact CD1-CB 4.42Å; L215-Y282 HydrophobicContact CD2-CD2 3.57Å; L215-Y282 HydrophobicContact CD2-CE2 4.38Å; L215-Y282 HydrophobicContact CD2-CG 4.42Å
216W97.1Very high96.8Very high6 Ų642.8 Ų42.82%0.02321%0.213CC..  trans-79.3125-172-171.550.4000111.6L112 L128 L131 G132 M135 W212 F213 P218 W219 H220L112-W216 HydrophobicContact CD1-CH2 4.12Å; L112-W216 HydrophobicContact CD1-CZ2 3.77Å; L128-W216 HydrophobicContact CD1-CE3 4.46Å; L128-W216 HydrophobicContact CD1-CH2 3.85Å; L128-W216 HydrophobicContact CD1-CZ3 3.44Å; L128-W216 VanDerWaalsContact CD1-CZ3 3.44Å; L128-W216 HydrophobicContact CG-CZ3 4.01Å; L131-W216 HydrophobicContact CB-CH2 4.4Å; G132-W216 VanDerWaalsContact CA-CZ3 3.48Å; M135-W216 HydrophobicContact CB-CZ2 4.17Å; M135-W216 HydrophobicContact CG-CZ2 3.99Å; W212-W216 HydrophobicContact CE3-CB 4.33Å; W212-W216 HydrophobicContact CE3-CG 4.39Å; W212-W216 HydrophobicContact CH2-CB 4.39Å; W212-W216 AromaticContact CH2-CD1 3.33Å; W212-W216 AromaticContact CH2-CD2 3.79Å; W212-W216 HydrophobicContact CH2-CD2 3.79Å; W212-W216 AromaticContact CH2-CE2 3.63Å; W212-W216 AromaticContact CH2-CG 3.63Å; W212-W216 HydrophobicContact CH2-CG 3.63Å; W212-W216 HydrophobicContact CH2-CZ2 4.38Å; W212-W216 AromaticContact CH2-NE1 3.35Å; W212-W216 VanDerWaalsContact CH2-NE1 3.35Å; W212-W216 AromaticContact CZ2-CD1 3.61Å; W212-W216 HydrophobicContact CZ2-CG 4.23Å; W212-W216 AromaticContact CZ2-NE1 3.81Å; W212-W216 HydrophobicContact CZ3-CB 4.1Å; W212-W216 AromaticContact CZ3-CD1 3.9Å; W212-W216 AromaticContact CZ3-CD2 3.85Å; W212-W216 HydrophobicContact CZ3-CD2 3.85Å; W212-W216 HydrophobicContact CZ3-CE3 4.39Å; W212-W216 AromaticContact CZ3-CG 3.72Å; W212-W216 HydrophobicContact CZ3-CG 3.72Å; W212-W216 PolarHBondContact O-N 2.83Å; F213-W216 AromaticContact CD2-CE3 3.79Å; F213-W216 HydrophobicContact CD2-CE3 3.79Å; F213-W216 HydrophobicContact CD2-CZ3 4.35Å; F213-W216 AromaticContact CE2-CE3 3.56Å; F213-W216 HydrophobicContact CE2-CE3 3.56Å; F213-W216 AromaticContact CE2-CZ3 3.79Å; F213-W216 HydrophobicContact CE2-CZ3 3.79Å; F213-W216 HydrophobicContact CZ-CE3 4.49Å; F213-W216 VanDerWaalsContact O-CB 3.29Å; F213-W216 WeakPolarHBondContact O-CB 3.48Å; F213-W216 PolarHBondContact O-N 3.06Å; W216-P218 HydrophobicContact CD2-CB 4.16Å; W216-P218 HydrophobicContact CD2-CG 3.9Å; W216-P218 HydrophobicContact CE3-CB 4.03Å; W216-P218 HydrophobicContact CE3-CG 4.28Å; W216-P218 HydrophobicContact CH2-CB 3.92Å; W216-P218 HydrophobicContact CH2-CG 3.97Å; W216-P218 HydrophobicContact CZ2-CB 4.05Å; W216-P218 HydrophobicContact CZ2-CG 3.56Å; W216-P218 HydrophobicContact CZ3-CB 3.92Å; W216-P218 HydrophobicContact CZ3-CG 4.31Å; W216-W219 HydrophobicContact CB-CB 4.45Å; W216-W219 HydrophobicContact CE3-CB 4.23Å; W216-W219 WeakPolarHBondContact O-CA 3.31Å; W216-W219 WeakPolarHBondContact O-CB 3.47Å; W216-W219 PolarHBondContact O-N 3.15Å; W216-H220 PolarHBondContact O-N 3.17Å
217G95.8Very high96.8Very high30 Ų3036.6 Ų36.631%0.30918%0.184SC..Hα-helixtrans-51.7-46.3-174.300000115.7L215 W219 H220 A221L215-G217 PolarHBondContact O-N 2.51Å; G217-W219 VanDerWaalsContact C-N 3.26Å; G217-W219 PolarHBondContact O-N 2.78Å; G217-H220 WeakPolarHBondContact O-CB 3.44Å; G217-H220 PolarHBondContact O-N 3.42Å; G217-A221 PolarHBondContact O-N 2.79Å
218P97.4Very high96.8Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-60.5-34.6175.8-27.537.2000113.3L112 V113 A116 L128 W216 A221 V222L112-P218 HydrophobicContact CB-CB 4.17Å; L112-P218 HydrophobicContact CB-CG 3.64Å; V113-P218 HydrophobicContact CG2-CG 3.7Å; A116-P218 HydrophobicContact CB-CB 4.21Å; A116-P218 WeakPolarHBondContact CB-O 3.49Å; L128-P218 HydrophobicContact CD1-CB 4.09Å; W216-P218 HydrophobicContact CD2-CB 4.16Å; W216-P218 HydrophobicContact CD2-CG 3.9Å; W216-P218 HydrophobicContact CE3-CB 4.03Å; W216-P218 HydrophobicContact CE3-CG 4.28Å; W216-P218 HydrophobicContact CH2-CB 3.92Å; W216-P218 HydrophobicContact CH2-CG 3.97Å; W216-P218 HydrophobicContact CZ2-CB 4.05Å; W216-P218 HydrophobicContact CZ2-CG 3.56Å; W216-P218 HydrophobicContact CZ3-CB 3.92Å; W216-P218 HydrophobicContact CZ3-CG 4.31Å; P218-A221 PolarHBondContact O-N 3.49Å; P218-V222 PolarHBondContact O-N 2.93Å
219W97.9Very high96.8Very high0 Ų037.5 Ų37.50%020%0.199CC..Hα-helixtrans-68.5-44.3174.8174.9-128.3000111.7T125 L128 F213 W216 G217 A221 V222 L223 T286 V289 L290T125-W219 HydrophobicContact CG2-CH2 4.27Å; T125-W219 HydrophobicContact CG2-CZ3 4.02Å; L128-W219 HydrophobicContact CD2-CE3 3.87Å; F213-W219 HydrophobicContact CD1-CD2 4.48Å; F213-W219 HydrophobicContact CD1-CG 4.13Å; F213-W219 HydrophobicContact CE1-CB 4.1Å; F213-W219 AromaticContact CE1-CD1 3.84Å; F213-W219 AromaticContact CE1-CD2 3.58Å; F213-W219 HydrophobicContact CE1-CD2 3.58Å; F213-W219 AromaticContact CE1-CE2 3.84Å; F213-W219 HydrophobicContact CE1-CE3 4.09Å; F213-W219 AromaticContact CE1-CG 3.59Å; F213-W219 HydrophobicContact CE1-CG 3.59Å; F213-W219 HydrophobicContact CE1-CZ2 4.5Å; F213-W219 AromaticContact CE1-NE1 3.96Å; F213-W219 HydrophobicContact CE2-CB 4.41Å; F213-W219 HydrophobicContact CZ-CB 4Å; F213-W219 AromaticContact CZ-CD2 3.95Å; F213-W219 HydrophobicContact CZ-CD2 3.95Å; F213-W219 HydrophobicContact CZ-CE3 4.1Å; F213-W219 AromaticContact CZ-CG 3.93Å; F213-W219 HydrophobicContact CZ-CG 3.93Å; F213-W219 VanDerWaalsContact O-CD1 3.3Å; W216-W219 HydrophobicContact CB-CB 4.45Å; W216-W219 HydrophobicContact CE3-CB 4.23Å; W216-W219 WeakPolarHBondContact O-CA 3.31Å; W216-W219 WeakPolarHBondContact O-CB 3.47Å; W216-W219 PolarHBondContact O-N 3.15Å; G217-W219 VanDerWaalsContact C-N 3.26Å; G217-W219 PolarHBondContact O-N 2.78Å; W219-A221 VanDerWaalsContact C-N 3.27Å; W219-A221 PolarHBondContact O-N 3.34Å; W219-V222 HydrophobicContact CE3-CB 4.21Å; W219-V222 HydrophobicContact CE3-CG1 4.36Å; W219-V222 HydrophobicContact CZ3-CB 4.4Å; W219-V222 HydrophobicContact CZ3-CG1 4.05Å; W219-V222 PolarHBondContact O-N 3.4Å; W219-V222 VanDerWaalsContact O-N 3.13Å; W219-L223 HydrophobicContact CD2-CD1 4.21Å; W219-L223 HydrophobicContact CD2-CG 4Å; W219-L223 HydrophobicContact CE3-CG 4.4Å; W219-L223 HydrophobicContact CG-CD1 4.38Å; W219-L223 HydrophobicContact CH2-CD2 3.79Å; W219-L223 HydrophobicContact CH2-CG 4.25Å; W219-L223 HydrophobicContact CZ2-CD1 4.1Å; W219-L223 HydrophobicContact CZ2-CD2 3.49Å; W219-L223 VanDerWaalsContact CZ2-CD2 3.49Å; W219-L223 HydrophobicContact CZ2-CG 3.83Å; W219-L223 HydrophobicContact CZ3-CD2 4.41Å; W219-L223 WeakPolarHBondContact O-CG 3.05Å; W219-L223 PolarHBondContact O-N 2.79Å; W219-T286 HydrophobicContact CZ2-CG2 4.22Å; W219-T286 PolarHBondContact NE1-OG1 3.47Å; W219-V289 HydrophobicContact CH2-CB 4.22Å; W219-V289 HydrophobicContact CH2-CG1 3.64Å; W219-V289 HydrophobicContact CZ2-CB 4.16Å; W219-V289 HydrophobicContact CZ2-CG1 4.09Å; W219-L290 HydrophobicContact CH2-CD2 4.14Å; W219-L290 HydrophobicContact CZ2-CD2 4.34Å; W219-L290 HydrophobicContact CZ2-CG 4.4Å
220H97.6Very high96.8Very high26 Ų2641.5 Ų41.512%0.1221%0.213CC..Hα-helixtrans-58.5-39.1173.3-70.2-172000112.4S214 W216 G217 V222 L223 K224 W231S214-H220 PolarHBondContact O-CD2 3.33Å; S214-H220 PolarHBondContact O-NE2 3.44Å; W216-H220 PolarHBondContact O-N 3.17Å; G217-H220 WeakPolarHBondContact O-CB 3.44Å; G217-H220 PolarHBondContact O-N 3.42Å; H220-V222 VanDerWaalsContact C-N 3.35Å; H220-V222 PolarHBondContact O-N 3.31Å; H220-L223 PolarHBondContact O-N 3.26Å; H220-K224 WeakPolarHBondContact O-CB 3.42Å; H220-K224 VanDerWaalsContact O-CG 3.27Å; H220-K224 WeakPolarHBondContact O-CG 3.44Å; H220-K224 PolarHBondContact O-N 2.67Å; H220-W231 HydrophobicContact CB-CH2 3.92Å; H220-W231 HydrophobicContact CB-CZ3 3.95Å; H220-W231 AromaticContact CD2-CZ3 3.87Å; H220-W231 AromaticContact CG-CH2 3.67Å; H220-W231 AromaticContact CG-CZ3 3.76Å; H220-W231 AromaticContact ND1-CH2 3.66Å
221A97.5Very high96.9Very high8 Ų840.3 Ų40.37%0.06620%0.203CC..Hα-helixtrans-61-42.517600000112A116 S117 G217 P218 W219 R225A116-A221 HydrophobicContact CB-CB 3.72Å; S117-A221 WeakPolarHBondContact OG-CB 3.22Å; G217-A221 PolarHBondContact O-N 2.79Å; P218-A221 PolarHBondContact O-N 3.49Å; W219-A221 VanDerWaalsContact C-N 3.27Å; W219-A221 PolarHBondContact O-N 3.34Å; A221-R225 WeakPolarHBondContact O-CG 3.02Å; A221-R225 PolarHBondContact O-N 2.87Å
222V97.6Very high97Very high0 Ų041.6 Ų41.60%022%0.218CC..Hα-helixtrans-65.7-45.1174172.80000111.7A116 F121 L128 P218 W219 H220 K224 R225 T226A116-V222 HydrophobicContact CB-CG2 4.06Å; F121-V222 HydrophobicContact CB-CG2 3.88Å; L128-V222 HydrophobicContact CD2-CB 4.12Å; L128-V222 HydrophobicContact CD2-CG2 3.49Å; L128-V222 VanDerWaalsContact CD2-CG2 3.49Å; P218-V222 PolarHBondContact O-N 2.93Å; W219-V222 HydrophobicContact CE3-CB 4.21Å; W219-V222 HydrophobicContact CE3-CG1 4.36Å; W219-V222 HydrophobicContact CZ3-CB 4.4Å; W219-V222 HydrophobicContact CZ3-CG1 4.05Å; W219-V222 PolarHBondContact O-N 3.4Å; W219-V222 VanDerWaalsContact O-N 3.13Å; H220-V222 VanDerWaalsContact C-N 3.35Å; H220-V222 PolarHBondContact O-N 3.31Å; V222-K224 PolarHBondContact O-N 3.39Å; V222-R225 PolarHBondContact O-N 3.03Å; V222-T226 HydrophobicContact CG1-CG2 4.31Å; V222-T226 WeakPolarHBondContact O-CB 3.3Å; V222-T226 PolarHBondContact O-N 3.43Å; V222-T226 PolarHBondContact O-OG1 3.43Å
223L97.6Very high97Very high0 Ų043.6 Ų43.60%023%0.231CC..Hα-helixtrans-58.7-46.9178.8-73.7176.8000111.8W219 H220 R225 T226 E227 W231 L285 V289W219-L223 HydrophobicContact CD2-CD1 4.21Å; W219-L223 HydrophobicContact CD2-CG 4Å; W219-L223 HydrophobicContact CE3-CG 4.4Å; W219-L223 HydrophobicContact CG-CD1 4.38Å; W219-L223 HydrophobicContact CH2-CD2 3.79Å; W219-L223 HydrophobicContact CH2-CG 4.25Å; W219-L223 HydrophobicContact CZ2-CD1 4.1Å; W219-L223 HydrophobicContact CZ2-CD2 3.49Å; W219-L223 VanDerWaalsContact CZ2-CD2 3.49Å; W219-L223 HydrophobicContact CZ2-CG 3.83Å; W219-L223 HydrophobicContact CZ3-CD2 4.41Å; W219-L223 WeakPolarHBondContact O-CG 3.05Å; W219-L223 PolarHBondContact O-N 2.79Å; H220-L223 PolarHBondContact O-N 3.26Å; L223-R225 PolarHBondContact O-N 2.73Å; L223-T226 PolarHBondContact O-N 3.43Å; L223-E227 HydrophobicContact CD2-CB 4.33Å; L223-E227 HydrophobicContact CD2-CG 4.19Å; L223-E227 CarbonylContact O-C 3.55Å; L223-E227 VanDerWaalsContact O-C 3.29Å; L223-E227 WeakPolarHBondContact O-CA 3.45Å; L223-E227 PolarHBondContact O-N 3.38Å; L223-W231 HydrophobicContact CB-CE3 3.81Å; L223-W231 HydrophobicContact CB-CZ3 4.36Å; L223-W231 HydrophobicContact CD1-CE3 4.21Å; L223-W231 HydrophobicContact CD1-CZ3 4.23Å; L223-L285 HydrophobicContact CD1-CD2 3.83Å; L223-L285 HydrophobicContact CD1-CG 4.1Å; L223-L285 HydrophobicContact CD2-CG 4.38Å; L223-V289 HydrophobicContact CD2-CB 4.05Å; L223-V289 HydrophobicContact CD2-CG1 3.95Å; L223-V289 HydrophobicContact CD2-CG2 3.78Å
224K96.6Very high97Very high110 Ų11043.7 Ų43.748%0.47823%0.233SC..Hα-helixtrans-58.3-36.2177.3-75172.6-177179.30112.8H220 V222 W231H220-K224 WeakPolarHBondContact O-CB 3.42Å; H220-K224 VanDerWaalsContact O-CG 3.27Å; H220-K224 WeakPolarHBondContact O-CG 3.44Å; H220-K224 PolarHBondContact O-N 2.67Å; V222-K224 PolarHBondContact O-N 3.39Å; K224-W231 HydrophobicContact CD-CZ2 4.24Å; K224-W231 HydrophobicContact CG-CD2 3.56Å; K224-W231 HydrophobicContact CG-CE3 4.14Å; K224-W231 HydrophobicContact CG-CG 3.8Å; K224-W231 HydrophobicContact CG-CZ2 4.13Å
225R96Very high96.9Very high120 Ų12045.4 Ų45.445%0.45324%0.241SC..Hα-helixtrans-79.5-40.4-178.5-74.5178.961.175.613113.5A116 S117 G119 D122 A221 V222 L223A116-R225 VanDerWaalsContact O-CD 3.23Å; A116-R225 WeakPolarHBondContact O-CD 3.42Å; S117-R225 VanDerWaalsContact O-CD 3.29Å; S117-R225 WeakPolarHBondContact O-CD 3.12Å; S117-R225 PolarHBondContact O-NH1 3.46Å; G119-R225 VanDerWaalsContact CA-NE 3.34Å; D122-R225 IonicContact OD1-NE 3.73Å; D122-R225 PolarHBondContact OD1-NE 3.45Å; D122-R225 IonicContact OD2-CZ 3.73Å; D122-R225 IonicContact OD2-NE 3.76Å; D122-R225 PolarHBondContact OD2-NE 2.86Å; D122-R225 IonicContact OD2-NH2 3.9Å; D122-R225 PolarHBondContact OD2-NH2 2.94Å; A221-R225 WeakPolarHBondContact O-CG 3.02Å; A221-R225 PolarHBondContact O-N 2.87Å; V222-R225 PolarHBondContact O-N 3.03Å; L223-R225 PolarHBondContact O-N 2.73Å
226T96.1Very high97Very high41 Ų4148.3 Ų48.325%0.25225%0.252SS..Hα-helixtrans-110.9-19.8-163.762.60000113.7D122 V222 L223 R293D122-T226 HydrophobicContact CB-CG2 3.66Å; D122-T226 VanDerWaalsContact CG-CG2 3.43Å; D122-T226 WeakPolarHBondContact OD1-CG2 3.4Å; V222-T226 HydrophobicContact CG1-CG2 4.31Å; V222-T226 WeakPolarHBondContact O-CB 3.3Å; V222-T226 PolarHBondContact O-N 3.43Å; V222-T226 PolarHBondContact O-OG1 3.43Å; L223-T226 PolarHBondContact O-N 3.43Å; T226-R293 PolarHBondContact OG1-NH1 2.9Å; T226-R293 PolarHBondContact OG1-NH2 2.94Å
227E95.7Very high96.9Very high37 Ų3751 Ų5117%0.17327%0.266CS..SBendtrans-128.641.4-179.7-57.1-65.5158.400109.8L223 D229 R230 W231 V289 R293L223-E227 HydrophobicContact CD2-CB 4.33Å; L223-E227 HydrophobicContact CD2-CG 4.19Å; L223-E227 CarbonylContact O-C 3.55Å; L223-E227 VanDerWaalsContact O-C 3.29Å; L223-E227 WeakPolarHBondContact O-CA 3.45Å; L223-E227 PolarHBondContact O-N 3.38Å; E227-D229 VanDerWaalsContact C-N 3.29Å; E227-D229 PolarHBondContact O-N 3.41Å; E227-R230 HydrophobicContact CB-CB 4.25Å; E227-R230 PolarHBondContact O-N 2.86Å; E227-R230 WeakPolarHBondContact OE2-CD 3.33Å; E227-R230 IonicContact OE2-NE 2.79Å; E227-R230 PolarHBondContact OE2-NE 2.73Å; E227-W231 PolarHBondContact O-N 2.99Å; E227-V289 HydrophobicContact CB-CG2 4.4Å; E227-V289 HydrophobicContact CG-CG1 3.86Å; E227-V289 HydrophobicContact CG-CG2 3.8Å; E227-R293 IonicContact OE1-CZ 3.24Å; E227-R293 IonicContact OE1-NE 3.83Å; E227-R293 PolarHBondContact OE1-NE 3.17Å; E227-R293 IonicContact OE1-NH2 3.48Å; E227-R293 PolarHBondContact OE1-NH2 3.17Å
228A96.5Very high96.8Very high53 Ų5350.5 Ų50.544%0.43826%0.255SS..Hα-helixtrans-52.7-41.6-169.900000113.7W231 A232A228-W231 PolarHBondContact O-N 2.85Å; A228-A232 WeakPolarHBondContact O-CB 3.35Å; A228-A232 PolarHBondContact O-N 3.4Å
229D97.7Very high96.6Very high147 Ų14757.6 Ų57.679%0.78628%0.282SS*.Hα-helixtrans-65.8-41.9178.1-65.3-25.5000111.9E227 A232 L233E227-D229 VanDerWaalsContact C-N 3.29Å; E227-D229 PolarHBondContact O-N 3.41Å; D229-A232 PolarHBondContact O-N 3.26Å; D229-L233 PolarHBondContact O-N 3.13Å
230R97.1Very high96.4Very high89 Ų8963 Ų6334%0.33631%0.308SS..Hα-helixtrans-68.5-39.4176.8-59.9-177.2176.4-85.6-6.8111.4E227 L233 A234 L285 E288E227-R230 HydrophobicContact CB-CB 4.25Å; E227-R230 PolarHBondContact O-N 2.86Å; E227-R230 WeakPolarHBondContact OE2-CD 3.33Å; E227-R230 IonicContact OE2-NE 2.79Å; E227-R230 PolarHBondContact OE2-NE 2.73Å; R230-L233 PolarHBondContact O-N 2.91Å; R230-A234 WeakPolarHBondContact O-CB 3.35Å; R230-A234 PolarHBondContact O-N 3.43Å; R230-L285 HydrophobicContact CB-CD1 3.5Å; R230-L285 HydrophobicContact CG-CD1 4.43Å; R230-E288 IonicContact NH1-OE2 2.91Å; R230-E288 PolarHBondContact NH1-OE2 3.22Å
231W97.3Very high96.2Very high29 Ų2962.9 Ų62.911%0.1131%0.308CS..Hα-helixtrans-61.5-45.6174.7179.2-87.4000111.2H220 L223 K224 E227 A228 L233 A234 E235 Y282 L285H220-W231 HydrophobicContact CB-CH2 3.92Å; H220-W231 HydrophobicContact CB-CZ3 3.95Å; H220-W231 AromaticContact CD2-CZ3 3.87Å; H220-W231 AromaticContact CG-CH2 3.67Å; H220-W231 AromaticContact CG-CZ3 3.76Å; H220-W231 AromaticContact ND1-CH2 3.66Å; L223-W231 HydrophobicContact CB-CE3 3.81Å; L223-W231 HydrophobicContact CB-CZ3 4.36Å; L223-W231 HydrophobicContact CD1-CE3 4.21Å; L223-W231 HydrophobicContact CD1-CZ3 4.23Å; K224-W231 HydrophobicContact CD-CZ2 4.24Å; K224-W231 HydrophobicContact CG-CD2 3.56Å; K224-W231 HydrophobicContact CG-CE3 4.14Å; K224-W231 HydrophobicContact CG-CG 3.8Å; K224-W231 HydrophobicContact CG-CZ2 4.13Å; E227-W231 PolarHBondContact O-N 2.99Å; A228-W231 PolarHBondContact O-N 2.85Å; W231-L233 VanDerWaalsContact C-N 3.35Å; W231-L233 PolarHBondContact O-N 2.75Å; W231-A234 PolarHBondContact O-N 3.2Å; W231-E235 HydrophobicContact CZ2-CG 4.25Å; W231-E235 PolarHBondContact O-N 2.88Å; W231-Y282 HydrophobicContact CH2-CD1 4.29Å; W231-Y282 AromaticContact CH2-CE1 3.67Å; W231-Y282 HydrophobicContact CH2-CE1 3.67Å; W231-Y282 HydrophobicContact CZ2-CE1 4.25Å; W231-Y282 HydrophobicContact CZ3-CD1 4.14Å; W231-Y282 AromaticContact CZ3-CE1 3.92Å; W231-Y282 HydrophobicContact CZ3-CE1 3.92Å; W231-L285 HydrophobicContact CE3-CD2 4.02Å
232A97.5Very high95.9Very high57 Ų5764.2 Ų64.247%0.47131%0.313SS..Hα-helixtrans-60.9-43.3177.300000111.9A228 D229 A234 E235 E236A228-A232 WeakPolarHBondContact O-CB 3.35Å; A228-A232 PolarHBondContact O-N 3.4Å; D229-A232 PolarHBondContact O-N 3.26Å; A232-A234 PolarHBondContact O-N 3.45Å; A232-E235 PolarHBondContact O-N 3.43Å; A232-E236 PolarHBondContact O-N 2.87Å
233L97.3Very high95.6Very high91 Ų9171.6 Ų71.648%0.47635%0.348SS..Hα-helixtrans-62.4-41.4175.3-178.763.5000112.1D229 R230 W231 E236 Q237D229-L233 PolarHBondContact O-N 3.13Å; R230-L233 PolarHBondContact O-N 2.91Å; W231-L233 VanDerWaalsContact C-N 3.35Å; W231-L233 PolarHBondContact O-N 2.75Å; L233-E236 PolarHBondContact O-N 3.41Å; L233-Q237 VanDerWaalsContact O-CG 3.31Å; L233-Q237 WeakPolarHBondContact O-CG 3.25Å; L233-Q237 PolarHBondContact O-N 2.85Å
234A96.8Very high95.4Very high4 Ų476.5 Ų76.53%0.03337%0.374CS..Hα-helixtrans-65.6-40.117800000111.7R230 W231 A232 Q237 K238 I281 L285R230-A234 WeakPolarHBondContact O-CB 3.35Å; R230-A234 PolarHBondContact O-N 3.43Å; W231-A234 PolarHBondContact O-N 3.2Å; A232-A234 PolarHBondContact O-N 3.45Å; A234-Q237 PolarHBondContact O-N 2.92Å; A234-K238 WeakPolarHBondContact O-CB 3.35Å; A234-K238 PolarHBondContact O-N 3.47Å; A234-I281 HydrophobicContact CB-CG2 3.73Å; A234-I281 WeakPolarHBondContact O-CG2 3.4Å; A234-L285 HydrophobicContact CB-CD2 3.9Å
235E96.5Very high95.3Very high36 Ų3675.5 Ų75.517%0.16837%0.371CS..Hα-helixtrans-63.7-41.9173.5-75.1-65.299.100112.1W231 A232 K238 Y239 Y282W231-E235 HydrophobicContact CZ2-CG 4.25Å; W231-E235 PolarHBondContact O-N 2.88Å; A232-E235 PolarHBondContact O-N 3.43Å; E235-K238 WeakPolarHBondContact O-CB 3.45Å; E235-K238 PolarHBondContact O-N 3.38Å; E235-K238 WeakPolarHBondContact OE1-CE 3.43Å; E235-K238 IonicContact OE1-NZ 3.36Å; E235-K238 PolarHBondContact OE1-NZ 2.92Å; E235-K238 IonicContact OE2-NZ 2.67Å; E235-K238 PolarHBondContact OE2-NZ 3.19Å; E235-Y239 WeakPolarHBondContact O-CD2 3.46Å; E235-Y239 PolarHBondContact O-N 3.4Å; E235-Y282 PolarHBondContact OE1-OH 2.94Å
236E96.7Very high95.1Very high130 Ų13073.3 Ų73.361%0.60736%0.364SS*.Hα-helixtrans-61.4-47.9176-175.1173.4-16000111.5A232 L233 K238 Y239 E240A232-E236 PolarHBondContact O-N 2.87Å; L233-E236 PolarHBondContact O-N 3.41Å; E236-K238 PolarHBondContact O-N 2.96Å; E236-Y239 PolarHBondContact O-N 2.86Å; E236-E240 PolarHBondContact O-N 2.98Å
237Q95.5Very high94.8Very high64 Ų6475.3 Ų75.330%0.29938%0.377SS..Hα-helixtrans-57.4-38.7174.5-73174.1200112.1L233 A234 E240 M241 I281L233-Q237 VanDerWaalsContact O-CG 3.31Å; L233-Q237 WeakPolarHBondContact O-CG 3.25Å; L233-Q237 PolarHBondContact O-N 2.85Å; A234-Q237 PolarHBondContact O-N 2.92Å; Q237-E240 PolarHBondContact O-N 3.47Å; Q237-M241 WeakPolarHBondContact O-CB 3.08Å; Q237-M241 WeakPolarHBondContact O-CG 3.3Å; Q237-M241 PolarHBondContact O-N 3.31Å; Q237-I281 HydrophobicContact CB-CD1 4.36Å
238K93.9Very high94.6Very high19 Ų1979 Ų798%0.08339%0.394CS..Hα-helixtrans-62.4-49.3176.8-177.6-173.768.7-1690111A234 E235 E236 E240 M241 L242 E278 I281 Y282A234-K238 WeakPolarHBondContact O-CB 3.35Å; A234-K238 PolarHBondContact O-N 3.47Å; E235-K238 WeakPolarHBondContact O-CB 3.45Å; E235-K238 PolarHBondContact O-N 3.38Å; E235-K238 WeakPolarHBondContact OE1-CE 3.43Å; E235-K238 IonicContact OE1-NZ 3.36Å; E235-K238 PolarHBondContact OE1-NZ 2.92Å; E235-K238 IonicContact OE2-NZ 2.67Å; E235-K238 PolarHBondContact OE2-NZ 3.19Å; E236-K238 PolarHBondContact O-N 2.96Å; K238-E240 VanDerWaalsContact C-N 3.33Å; K238-E240 PolarHBondContact O-N 3.33Å; K238-M241 PolarHBondContact O-N 3.46Å; K238-L242 HydrophobicContact CG-CD1 3.88Å; K238-L242 HydrophobicContact CG-CG 4.48Å; K238-L242 WeakPolarHBondContact O-CB 3.47Å; K238-L242 WeakPolarHBondContact O-CG 3.45Å; K238-L242 PolarHBondContact O-N 3.26Å; K238-E278 HydrophobicContact CD-CG 3.96Å; K238-I281 HydrophobicContact CB-CD1 3.62Å; K238-I281 HydrophobicContact CG-CD1 4.25Å; K238-Y282 PolarHBondContact NZ-OH 3.39Å
239Y93Very high94.5Very high148 Ų14879.1 Ų79.158%0.5838%0.383SS*.Hα-helixtrans-62-42.3177.3-71.7-65.8000111.8E235 E236 L242 E243E235-Y239 WeakPolarHBondContact O-CD2 3.46Å; E235-Y239 PolarHBondContact O-N 3.4Å; E236-Y239 PolarHBondContact O-N 2.86Å; Y239-L242 PolarHBondContact O-N 3.16Å; Y239-E243 WeakPolarHBondContact O-CB 3.33Å; Y239-E243 PolarHBondContact O-N 3.39Å
240E94.8Very high94.2Very high113 Ų11373 Ų7353%0.52835%0.351SS..Hα-helixtrans-61.9-45.6178.7-171.4178.9-17400112.2E236 Q237 K238 L242 E243 N244E236-E240 PolarHBondContact O-N 2.98Å; Q237-E240 PolarHBondContact O-N 3.47Å; K238-E240 VanDerWaalsContact C-N 3.33Å; K238-E240 PolarHBondContact O-N 3.33Å; E240-L242 VanDerWaalsContact C-N 3.34Å; E240-L242 PolarHBondContact O-N 2.95Å; E240-E243 PolarHBondContact O-N 3.03Å; E240-N244 VanDerWaalsContact CG-ND2 3.31Å; E240-N244 WeakPolarHBondContact CG-ND2 3.45Å; E240-N244 WeakPolarHBondContact O-CB 3.14Å; E240-N244 PolarHBondContact O-N 2.92Å; E240-N244 PolarHBondContact O-ND2 3.43Å; E240-N244 VanDerWaalsContact O-ND2 3.1Å
241M92.7Very high93.9Very high25 Ų2571 Ų7112%0.12335%0.354CS..Hα-helixtrans-65.5-38.2176.4-72-17672.300111.8Q237 K238 E243 E245 Y246 T277 I281Q237-M241 WeakPolarHBondContact O-CB 3.08Å; Q237-M241 WeakPolarHBondContact O-CG 3.3Å; Q237-M241 PolarHBondContact O-N 3.31Å; K238-M241 PolarHBondContact O-N 3.46Å; M241-E243 VanDerWaalsContact C-N 3.34Å; M241-E245 WeakPolarHBondContact CE-OE2 3.46Å; M241-E245 WeakPolarHBondContact O-CA 3.18Å; M241-E245 WeakPolarHBondContact O-CB 3.39Å; M241-E245 PolarHBondContact O-N 2.98Å; M241-Y246 PolarHBondContact O-N 3.45Å; M241-T277 HydrophobicContact CB-CG2 3.84Å; M241-T277 HydrophobicContact CE-CG2 4.2Å; M241-T277 HydrophobicContact SD-CG2 4.12Å; M241-I281 HydrophobicContact SD-CD1 3.81Å; M241-I281 HydrophobicContact SD-CG1 4.04Å
242L90.9Very high93.6Very high35 Ų3573.6 Ų73.618%0.18337%0.37CS..Hα-helixtrans-70.7-29.6177.6-69.4173000113.1K238 Y239 E240 Y246 M274 T277K238-L242 HydrophobicContact CG-CD1 3.88Å; K238-L242 HydrophobicContact CG-CG 4.48Å; K238-L242 WeakPolarHBondContact O-CB 3.47Å; K238-L242 WeakPolarHBondContact O-CG 3.45Å; K238-L242 PolarHBondContact O-N 3.26Å; Y239-L242 PolarHBondContact O-N 3.16Å; E240-L242 VanDerWaalsContact C-N 3.34Å; E240-L242 PolarHBondContact O-N 2.95Å; L242-Y246 HydrophobicContact CD2-CD2 3.82Å; L242-Y246 WeakPolarHBondContact O-CB 3.38Å; L242-M274 HydrophobicContact CD1-CE 3.68Å; L242-M274 HydrophobicContact CD1-SD 3.45Å; L242-M274 WeakPolarHBondContact CD1-SD 3.47Å; L242-M274 HydrophobicContact CD2-CE 3.46Å; L242-M274 VanDerWaalsContact CD2-CE 3.46Å; L242-M274 HydrophobicContact CD2-SD 3.48Å; L242-M274 WeakPolarHBondContact CD2-SD 3.46Å; L242-M274 HydrophobicContact CG-CE 4.17Å; L242-M274 HydrophobicContact CG-SD 4.07Å; L242-T277 HydrophobicContact CD2-CG2 4.38Å; L242-T277 HydrophobicContact CG-CG2 4.47Å
243E91.9Very high93.3Very high155 Ų15573.8 Ų73.872%0.72436%0.359SS*.Hα-helixtrans-77.8-44.8175.3-173170.6-169.800111.6Y239 E240 M241Y239-E243 WeakPolarHBondContact O-CB 3.33Å; Y239-E243 PolarHBondContact O-N 3.39Å; E240-E243 PolarHBondContact O-N 3.03Å; M241-E243 VanDerWaalsContact C-N 3.34Å
244N93.9Very high93Very high104 Ų10470 Ų7056%0.55634%0.339SS*.Hα-helixtrans-94.5-36.2-168.5-65.6-47.7000114.3E240E240-N244 VanDerWaalsContact CG-ND2 3.31Å; E240-N244 WeakPolarHBondContact CG-ND2 3.45Å; E240-N244 WeakPolarHBondContact O-CB 3.14Å; E240-N244 PolarHBondContact O-N 2.92Å; E240-N244 PolarHBondContact O-ND2 3.43Å; E240-N244 VanDerWaalsContact O-ND2 3.1Å
245E92.6Very high92.7Very high89 Ų8977.4 Ų77.442%0.41637%0.37SS..THydrogen-bonded Turntrans-105.5-25.6-172-58.6-176.2-168.900113.4M241 Q248 R249M241-E245 WeakPolarHBondContact CE-OE2 3.46Å; M241-E245 WeakPolarHBondContact O-CA 3.18Å; M241-E245 WeakPolarHBondContact O-CB 3.39Å; M241-E245 PolarHBondContact O-N 2.98Å; E245-Q248 PolarHBondContact O-N 2.95Å; E245-Q248 VanDerWaalsContact O-N 3.17Å; E245-R249 HydrophobicContact CB-CG 4.39Å; E245-R249 WeakPolarHBondContact O-CG 3.48Å; E245-R249 PolarHBondContact O-N 3.12Å
246Y91.9Very high92.3Very high74 Ų7479.9 Ų79.929%0.2940%0.397SS..Hα-helixtrans-53.8-49.6-173.5-178.4-93.3000114M241 L242 Q248 R249 V250 G270 V273 M274M241-Y246 PolarHBondContact O-N 3.45Å; L242-Y246 HydrophobicContact CD2-CD2 3.82Å; L242-Y246 WeakPolarHBondContact O-CB 3.38Å; Y246-Q248 VanDerWaalsContact C-N 3.28Å; Y246-Q248 PolarHBondContact O-N 3.48Å; Y246-R249 PolarHBondContact O-N 3.48Å; Y246-V250 HydrophobicContact CD1-CG2 4.21Å; Y246-V250 HydrophobicContact CD2-CG2 4.36Å; Y246-V250 HydrophobicContact CE1-CG2 3.92Å; Y246-V250 HydrophobicContact CE2-CG2 4.09Å; Y246-V250 HydrophobicContact CG-CG2 4.42Å; Y246-V250 WeakPolarHBondContact O-CG2 3.35Å; Y246-V250 PolarHBondContact O-N 3.41Å; Y246-G270 WeakPolarHBondContact CE2-O 3.46Å; Y246-G270 WeakPolarHBondContact OH-CA 3.22Å; Y246-V273 HydrophobicContact CD2-CB 4.27Å; Y246-V273 HydrophobicContact CD2-CG1 3.63Å; Y246-V273 HydrophobicContact CE2-CB 4.24Å; Y246-V273 HydrophobicContact CE2-CG1 4.1Å; Y246-V273 HydrophobicContact CG-CG1 4.47Å; Y246-M274 HydrophobicContact CE2-CE 4.41Å
247P89.8Confident91.9Very high83 Ų8377.3 Ų77.354%0.53939%0.393SS..Hα-helixtrans-61.5-38.9-178.5-21.734.4000112.2A251P247-A251 WeakPolarHBondContact O-CB 3.13Å; P247-A251 PolarHBondContact O-N 2.87Å
248Q92.5Very high91.5Very high113 Ų11377.3 Ų77.353%0.52841%0.411SS..Hα-helixtrans-70.1-45.8-179.8-174.956.951.300111.2E245 Y246 V250 A251 D252E245-Q248 PolarHBondContact O-N 2.95Å; E245-Q248 VanDerWaalsContact O-N 3.17Å; Y246-Q248 VanDerWaalsContact C-N 3.28Å; Y246-Q248 PolarHBondContact O-N 3.48Å; Q248-V250 VanDerWaalsContact C-N 3.34Å; Q248-V250 PolarHBondContact O-N 3.23Å; Q248-A251 PolarHBondContact O-N 3.44Å; Q248-D252 PolarHBondContact NE2-OD1 3.24Å; Q248-D252 PolarHBondContact NE2-OD2 2.88Å; Q248-D252 WeakPolarHBondContact O-CB 3.48Å; Q248-D252 PolarHBondContact O-N 3.18Å
249R93.4Very high91.1Very high57 Ų5780.5 Ų80.522%0.21543%0.428CS..Hα-helixtrans-62.1-40.3177.9-71.8-178.166.2166.7-3.4112.3E245 Y246 R253 V273 E276 T277E245-R249 HydrophobicContact CB-CG 4.39Å; E245-R249 WeakPolarHBondContact O-CG 3.48Å; E245-R249 PolarHBondContact O-N 3.12Å; Y246-R249 PolarHBondContact O-N 3.48Å; R249-R253 WeakPolarHBondContact O-CB 3.41Å; R249-R253 PolarHBondContact O-N 3.34Å; R249-R253 VanDerWaalsContact O-N 3.12Å; R249-V273 HydrophobicContact CB-CG1 3.76Å; R249-V273 HydrophobicContact CB-CG2 3.91Å; R249-E276 IonicContact NH2-OE2 3.12Å; R249-E276 PolarHBondContact NH2-OE2 3.41Å; R249-E276 VanDerWaalsContact NH2-OE2 3.12Å; R249-T277 PolarHBondContact NH1-OG1 3.33Å
250V91.7Very high90.5Very high17 Ų1777.5 Ų77.510%0.10343%0.428CS..Hα-helixtrans-64.4-47.2174.5171.70000110.5Y246 Q248 D252 R253 L254 A269 V273Y246-V250 HydrophobicContact CD1-CG2 4.21Å; Y246-V250 HydrophobicContact CD2-CG2 4.36Å; Y246-V250 HydrophobicContact CE1-CG2 3.92Å; Y246-V250 HydrophobicContact CE2-CG2 4.09Å; Y246-V250 HydrophobicContact CG-CG2 4.42Å; Y246-V250 WeakPolarHBondContact O-CG2 3.35Å; Y246-V250 PolarHBondContact O-N 3.41Å; Q248-V250 VanDerWaalsContact C-N 3.34Å; Q248-V250 PolarHBondContact O-N 3.23Å; V250-D252 PolarHBondContact O-N 3.43Å; V250-R253 PolarHBondContact O-N 2.83Å; V250-L254 HydrophobicContact CG1-CD1 3.75Å; V250-L254 HydrophobicContact CG1-CG 4.41Å; V250-L254 WeakPolarHBondContact O-CG 3.49Å; V250-L254 PolarHBondContact O-N 2.75Å; V250-A269 HydrophobicContact CG1-CB 4.23Å; V250-V273 HydrophobicContact CG2-CB 4.17Å; V250-V273 HydrophobicContact CG2-CG1 4.5Å; V250-V273 HydrophobicContact CG2-CG2 3.9Å
251A90.4Very high89.9Confident48 Ų4875.2 Ų75.240%0.39744%0.435SS..Hα-helixtrans-61.2-43.7178.900000112.7P247 Q248 R253 L254 K255P247-A251 WeakPolarHBondContact O-CB 3.13Å; P247-A251 PolarHBondContact O-N 2.87Å; Q248-A251 PolarHBondContact O-N 3.44Å; A251-R253 VanDerWaalsContact C-N 3.32Å; A251-R253 PolarHBondContact O-N 3.31Å; A251-L254 PolarHBondContact O-N 3.48Å; A251-K255 VanDerWaalsContact O-CB 3.28Å; A251-K255 WeakPolarHBondContact O-CB 3.47Å; A251-K255 PolarHBondContact O-N 3.05Å
252D91.7Very high89.5Confident84 Ų8477.5 Ų77.545%0.44945%0.448SS..Hα-helixtrans-63.1-39.5178.1-74.1-30.4000111.8Q248 V250 K255 A256Q248-D252 PolarHBondContact NE2-OD1 3.24Å; Q248-D252 PolarHBondContact NE2-OD2 2.88Å; Q248-D252 WeakPolarHBondContact O-CB 3.48Å; Q248-D252 PolarHBondContact O-N 3.18Å; V250-D252 PolarHBondContact O-N 3.43Å; D252-K255 PolarHBondContact O-N 2.67Å; D252-A256 WeakPolarHBondContact O-CB 3.03Å; D252-A256 PolarHBondContact O-N 2.97Å
253R90.9Very high89.4Confident61 Ų6178.9 Ų78.923%0.2347%0.465CS..Hα-helixtrans-66.4-47.5176.6-162.3-178.5-149.5113.318.3112.1R249 V250 A251 K255 A256 S257 A269 Q272 E276R249-R253 WeakPolarHBondContact O-CB 3.41Å; R249-R253 PolarHBondContact O-N 3.34Å; R249-R253 VanDerWaalsContact O-N 3.12Å; V250-R253 PolarHBondContact O-N 2.83Å; A251-R253 VanDerWaalsContact C-N 3.32Å; A251-R253 PolarHBondContact O-N 3.31Å; R253-K255 VanDerWaalsContact C-N 3.26Å; R253-K255 PolarHBondContact O-N 2.99Å; R253-A256 WeakPolarHBondContact O-CB 3.42Å; R253-A256 PolarHBondContact O-N 3.33Å; R253-A256 VanDerWaalsContact O-N 3.12Å; R253-S257 PolarHBondContact O-N 3.34Å; R253-S257 PolarHBondContact O-OG 3.35Å; R253-A269 HydrophobicContact CB-CB 4.49Å; R253-Q272 VanDerWaalsContact CZ-CG 3.42Å; R253-E276 IonicContact CZ-OE1 3.46Å; R253-E276 VanDerWaalsContact CZ-OE1 3.23Å; R253-E276 IonicContact NH1-OE1 2.85Å; R253-E276 PolarHBondContact NH1-OE1 3.43Å; R253-E276 IonicContact NH1-OE2 3.15Å; R253-E276 PolarHBondContact NH1-OE2 2.92Å; R253-E276 VanDerWaalsContact NH1-OE2 3.11Å; R253-E276 IonicContact NH2-OE1 3.29Å; R253-E276 PolarHBondContact NH2-OE1 3.47Å
254L91Very high89.2Confident12 Ų1276 Ų766%0.06345%0.454CS..Hα-helixtrans-61.2-39.5177.9-70.5166.5000111.6V250 A251 S257 G258 L259 A265 E266 A269V250-L254 HydrophobicContact CG1-CD1 3.75Å; V250-L254 HydrophobicContact CG1-CG 4.41Å; V250-L254 WeakPolarHBondContact O-CG 3.49Å; V250-L254 PolarHBondContact O-N 2.75Å; A251-L254 PolarHBondContact O-N 3.48Å; L254-S257 PolarHBondContact O-N 2.83Å; L254-G258 PolarHBondContact O-N 3.49Å; L254-L259 PolarHBondContact O-N 3.48Å; L254-A265 HydrophobicContact CD2-CB 3.74Å; L254-E266 HydrophobicContact CD1-CB 4.45Å; L254-E266 HydrophobicContact CD1-CG 3.47Å; L254-E266 VanDerWaalsContact CD1-CG 3.47Å; L254-E266 HydrophobicContact CD2-CG 4.26Å; L254-A269 HydrophobicContact CD2-CB 4.15Å; L254-A269 HydrophobicContact CG-CB 4.21Å
255K90.7Very high88.9Confident158 Ų15871.5 Ų71.569%0.68743%0.432SS*.Hα-helixtrans-63.6-42.3174.4-174.8-177.8179.1-175.60111.6A251 D252 R253 S257 G258A251-K255 VanDerWaalsContact O-CB 3.28Å; A251-K255 WeakPolarHBondContact O-CB 3.47Å; A251-K255 PolarHBondContact O-N 3.05Å; D252-K255 PolarHBondContact O-N 2.67Å; R253-K255 VanDerWaalsContact C-N 3.26Å; R253-K255 PolarHBondContact O-N 2.99Å; K255-S257 VanDerWaalsContact C-N 3.33Å; K255-G258 PolarHBondContact O-N 2.94Å
256A89.1Confident88.6Confident89 Ų8971.6 Ų71.674%0.73643%0.432SS*.Hα-helixtrans-65.2-35.5177.200000112.7D252 R253D252-A256 WeakPolarHBondContact O-CB 3.03Å; D252-A256 PolarHBondContact O-N 2.97Å; R253-A256 WeakPolarHBondContact O-CB 3.42Å; R253-A256 PolarHBondContact O-N 3.33Å; R253-A256 VanDerWaalsContact O-N 3.12Å
257S87.3Confident88.5Confident76 Ų7676 Ų7653%0.53145%0.448SS..Hα-helixtrans-82.4-11.7175.9-63.40000114R253 L254 K255 L259R253-S257 PolarHBondContact O-N 3.34Å; R253-S257 PolarHBondContact O-OG 3.35Å; L254-S257 PolarHBondContact O-N 2.83Å; K255-S257 VanDerWaalsContact C-N 3.33Å; S257-L259 PolarHBondContact O-N 3.24Å
258G87.4Confident88.5Confident64 Ų6478.8 Ų78.866%0.6645%0.454SS*.THydrogen-bonded Turntrans68.919.8-175.100000114.2L254 K255L254-G258 PolarHBondContact O-N 3.49Å; K255-G258 PolarHBondContact O-N 2.94Å
259L84.5Confident88.4Confident85 Ų8573.7 Ų73.745%0.44543%0.431SS..  trans-109.525.9-174.6-63.7173.7000112.5L254 S257 G261 D262 A265L254-L259 PolarHBondContact O-N 3.48Å; S257-L259 PolarHBondContact O-N 3.24Å; L259-G261 PolarHBondContact O-N 2.95Å; L259-D262 HydrophobicContact CB-CB 4.49Å; L259-D262 WeakPolarHBondContact O-CB 3.39Å; L259-D262 PolarHBondContact O-N 3.47Å; L259-A265 HydrophobicContact CB-CB 3.7Å; L259-A265 HydrophobicContact CD1-CB 3.93Å; L259-A265 HydrophobicContact CG-CB 4.43Å
260S81.7Confident88.3Confident85 Ų8571 Ų7159%0.59442%0.422SS*.THydrogen-bonded Turntrans-59.5126.8178.7-57.30000111.7
261G80.7Confident88.3Confident65 Ų6572.8 Ų72.867%0.6744%0.438SS*.THydrogen-bonded Turntrans88.71.9-179.200000115.2L259L259-G261 PolarHBondContact O-N 2.95Å
262D85.8Confident88.4Confident74 Ų7474 Ų7440%0.39644%0.435SS..  trans-85.8120.4169.4-174.8-59.8000110L259 D264 A265 E266L259-D262 HydrophobicContact CB-CB 4.49Å; L259-D262 WeakPolarHBondContact O-CB 3.39Å; L259-D262 PolarHBondContact O-N 3.47Å; D262-D264 VanDerWaalsContact C-N 3.34Å; D262-D264 PolarHBondContact O-N 3.16Å; D262-D264 PolarHBondContact OD1-N 3.36Å; D262-A265 HydrophobicContact CB-CB 3.8Å; D262-A265 PolarHBondContact O-N 2.66Å; D262-A265 PolarHBondContact OD1-N 3.05Å; D262-E266 WeakPolarHBondContact O-CB 3.36Å; D262-E266 WeakPolarHBondContact O-CG 2.97Å; D262-E266 PolarHBondContact O-N 2.87Å
263A87.7Confident88.4Confident64 Ų6470 Ų7053%0.52941%0.414SS..Hα-helixtrans-68.4-30.1-174.200000113.7R267A263-R267 PolarHBondContact O-N 3.3Å
264D88.3Confident88.5Confident94 Ų9470 Ų7050%0.50342%0.417SS..Hα-helixtrans-77.5-41.1177-72.6-27.2000109.9D262 E266 R267 E268D262-D264 VanDerWaalsContact C-N 3.34Å; D262-D264 PolarHBondContact O-N 3.16Å; D262-D264 PolarHBondContact OD1-N 3.36Å; D264-E266 VanDerWaalsContact C-N 3.31Å; D264-E266 PolarHBondContact O-N 3.44Å; D264-R267 PolarHBondContact O-N 3.4Å; D264-R267 IonicContact OD1-CZ 3.45Å; D264-R267 IonicContact OD1-NH1 2.73Å; D264-R267 PolarHBondContact OD1-NH1 2.88Å; D264-R267 IonicContact OD1-NH2 2.68Å; D264-E268 WeakPolarHBondContact O-CG 3.39Å; D264-E268 PolarHBondContact O-N 3.04Å
265A87.2Confident88.5Confident10 Ų1076.6 Ų76.68%0.08344%0.441CS..Hα-helixtrans-61.3-39.1172.400000112L254 L259 D262 E268 A269L254-A265 HydrophobicContact CD2-CB 3.74Å; L259-A265 HydrophobicContact CB-CB 3.7Å; L259-A265 HydrophobicContact CD1-CB 3.93Å; L259-A265 HydrophobicContact CG-CB 4.43Å; D262-A265 HydrophobicContact CB-CB 3.8Å; D262-A265 PolarHBondContact O-N 2.66Å; D262-A265 PolarHBondContact OD1-N 3.05Å; A265-E268 PolarHBondContact O-N 2.85Å; A265-A269 WeakPolarHBondContact O-CB 3.49Å; A265-A269 PolarHBondContact O-N 3.32Å
266E87.1Confident88.6Confident90 Ų9071.9 Ų71.942%0.42142%0.422SS..Hα-helixtrans-61.1-43174.5-82.6173.9-164.800111.8L254 D262 D264 G270L254-E266 HydrophobicContact CD1-CB 4.45Å; L254-E266 HydrophobicContact CD1-CG 3.47Å; L254-E266 VanDerWaalsContact CD1-CG 3.47Å; L254-E266 HydrophobicContact CD2-CG 4.26Å; D262-E266 WeakPolarHBondContact O-CB 3.36Å; D262-E266 WeakPolarHBondContact O-CG 2.97Å; D262-E266 PolarHBondContact O-N 2.87Å; D264-E266 VanDerWaalsContact C-N 3.31Å; D264-E266 PolarHBondContact O-N 3.44Å; E266-G270 PolarHBondContact O-N 3.04Å
267R89.3Confident88.8Confident167 Ų16767.7 Ų67.763%0.6339%0.387SS*.Hα-helixtrans-65.7-45.7178-167.3-174.5-58.5115.17.5111.7A263 D264 G270 A271A263-R267 PolarHBondContact O-N 3.3Å; D264-R267 PolarHBondContact O-N 3.4Å; D264-R267 IonicContact OD1-CZ 3.45Å; D264-R267 IonicContact OD1-NH1 2.73Å; D264-R267 PolarHBondContact OD1-NH1 2.88Å; D264-R267 IonicContact OD1-NH2 2.68Å; R267-G270 PolarHBondContact O-N 3.43Å; R267-A271 WeakPolarHBondContact O-CB 3.41Å; R267-A271 PolarHBondContact O-N 3.49Å
268E90.6Very high89.1Confident141 Ų14166.8 Ų66.866%0.65938%0.375SS*.Hα-helixtrans-65.2-45177.9-72-177.7-179.800111.8D264 A265 G270 A271 Q272D264-E268 WeakPolarHBondContact O-CG 3.39Å; D264-E268 PolarHBondContact O-N 3.04Å; A265-E268 PolarHBondContact O-N 2.85Å; E268-G270 VanDerWaalsContact C-N 3.32Å; E268-G270 PolarHBondContact O-N 3.47Å; E268-A271 PolarHBondContact O-N 3.31Å; E268-Q272 WeakPolarHBondContact O-CB 3.27Å; E268-Q272 PolarHBondContact O-N 3.23Å
269A89.9Confident89.5Confident6 Ų666.8 Ų66.85%0.0536%0.357CS..Hα-helixtrans-60.3-44.2175.700000110.9V250 R253 L254 A265 Q272 V273V250-A269 HydrophobicContact CG1-CB 4.23Å; R253-A269 HydrophobicContact CB-CB 4.49Å; L254-A269 HydrophobicContact CD2-CB 4.15Å; L254-A269 HydrophobicContact CG-CB 4.21Å; A265-A269 WeakPolarHBondContact O-CB 3.49Å; A265-A269 PolarHBondContact O-N 3.32Å; A269-Q272 PolarHBondContact O-N 3.24Å; A269-V273 VanDerWaalsContact O-CG2 3.3Å; A269-V273 WeakPolarHBondContact O-CG2 3.42Å; A269-V273 PolarHBondContact O-N 3.45Å
270G92.1Very high90Very high2 Ų267.6 Ų67.62%0.02136%0.359CS..Hα-helixtrans-59.6-47.8175.500000113.2Y246 E266 R267 E268 Q272 V273 M274Y246-G270 WeakPolarHBondContact CE2-O 3.46Å; Y246-G270 WeakPolarHBondContact OH-CA 3.22Å; E266-G270 PolarHBondContact O-N 3.04Å; R267-G270 PolarHBondContact O-N 3.43Å; E268-G270 VanDerWaalsContact C-N 3.32Å; E268-G270 PolarHBondContact O-N 3.47Å; G270-Q272 VanDerWaalsContact C-N 3.28Å; G270-Q272 PolarHBondContact O-N 3.37Å; G270-V273 PolarHBondContact O-N 3Å; G270-M274 WeakPolarHBondContact O-CB 3.47Å; G270-M274 PolarHBondContact O-N 3.19Å
271A91.7Very high90.7Very high53 Ų5363.8 Ų63.844%0.43833%0.332SS..Hα-helixtrans-64.5-33176.900000112.4R267 E268 R275R267-A271 WeakPolarHBondContact O-CB 3.41Å; R267-A271 PolarHBondContact O-N 3.49Å; E268-A271 PolarHBondContact O-N 3.31Å; A271-R275 WeakPolarHBondContact O-CG 3.32Å; A271-R275 PolarHBondContact O-N 3.41Å; A271-R275 VanDerWaalsContact O-N 3.16Å; A271-R275 PolarHBondContact O-NE 3.28Å
272Q91.2Very high91.5Very high73 Ų7361.1 Ų61.134%0.34130%0.302SS..Hα-helixtrans-75.1-41.7177.3-161.7168.612.700112.4R253 E268 A269 G270 M274 R275 E276R253-Q272 VanDerWaalsContact CZ-CG 3.42Å; E268-Q272 WeakPolarHBondContact O-CB 3.27Å; E268-Q272 PolarHBondContact O-N 3.23Å; A269-Q272 PolarHBondContact O-N 3.24Å; G270-Q272 VanDerWaalsContact C-N 3.28Å; G270-Q272 PolarHBondContact O-N 3.37Å; Q272-M274 VanDerWaalsContact C-N 3.3Å; Q272-M274 PolarHBondContact O-N 3.3Å; Q272-R275 PolarHBondContact O-N 3.46Å; Q272-E276 WeakPolarHBondContact O-CB 3.24Å; Q272-E276 WeakPolarHBondContact O-CG 3.32Å; Q272-E276 PolarHBondContact O-N 3.47Å
273V93.1Very high92Very high1 Ų162.1 Ų62.11%0.00630%0.3CS..Hα-helixtrans-60.7-42.6173.6170.60000110.4Y246 R249 V250 A269 G270 E276 T277Y246-V273 HydrophobicContact CD2-CB 4.27Å; Y246-V273 HydrophobicContact CD2-CG1 3.63Å; Y246-V273 HydrophobicContact CE2-CB 4.24Å; Y246-V273 HydrophobicContact CE2-CG1 4.1Å; Y246-V273 HydrophobicContact CG-CG1 4.47Å; R249-V273 HydrophobicContact CB-CG1 3.76Å; R249-V273 HydrophobicContact CB-CG2 3.91Å; V250-V273 HydrophobicContact CG2-CB 4.17Å; V250-V273 HydrophobicContact CG2-CG1 4.5Å; V250-V273 HydrophobicContact CG2-CG2 3.9Å; A269-V273 VanDerWaalsContact O-CG2 3.3Å; A269-V273 WeakPolarHBondContact O-CG2 3.42Å; A269-V273 PolarHBondContact O-N 3.45Å; G270-V273 PolarHBondContact O-N 3Å; V273-E276 PolarHBondContact O-N 2.98Å; V273-T277 WeakPolarHBondContact O-CB 3.46Å; V273-T277 PolarHBondContact O-N 2.82Å; V273-T277 PolarHBondContact O-OG1 2.71Å
274M91.3Very high92.4Very high62 Ų6263.5 Ų63.531%0.30530%0.295SS..Hα-helixtrans-56.7-52.8174.8-174.664.76600111.5L242 Y246 G270 Q272 E276 T277 E278L242-M274 HydrophobicContact CD1-CE 3.68Å; L242-M274 HydrophobicContact CD1-SD 3.45Å; L242-M274 WeakPolarHBondContact CD1-SD 3.47Å; L242-M274 HydrophobicContact CD2-CE 3.46Å; L242-M274 VanDerWaalsContact CD2-CE 3.46Å; L242-M274 HydrophobicContact CD2-SD 3.48Å; L242-M274 WeakPolarHBondContact CD2-SD 3.46Å; L242-M274 HydrophobicContact CG-CE 4.17Å; L242-M274 HydrophobicContact CG-SD 4.07Å; Y246-M274 HydrophobicContact CE2-CE 4.41Å; G270-M274 WeakPolarHBondContact O-CB 3.47Å; G270-M274 PolarHBondContact O-N 3.19Å; Q272-M274 VanDerWaalsContact C-N 3.3Å; Q272-M274 PolarHBondContact O-N 3.3Å; M274-E276 PolarHBondContact O-N 2.98Å; M274-T277 PolarHBondContact O-N 3.03Å; M274-E278 WeakPolarHBondContact O-CG 3.03Å; M274-E278 PolarHBondContact O-N 3.3Å
275R91.7Very high92.8Very high149 Ų14959.3 Ų59.356%0.56227%0.273SS*.Hα-helixtrans-60-42.6179.4-76-175-67.3155.6-3.2112.7A271 Q272 Q279A271-R275 WeakPolarHBondContact O-CG 3.32Å; A271-R275 PolarHBondContact O-N 3.41Å; A271-R275 VanDerWaalsContact O-N 3.16Å; A271-R275 PolarHBondContact O-NE 3.28Å; Q272-R275 PolarHBondContact O-N 3.46Å; R275-Q279 WeakPolarHBondContact O-CB 3.42Å; R275-Q279 PolarHBondContact O-N 2.76Å
276E92.7Very high93.2Very high59 Ų5958.9 Ų58.928%0.27627%0.269SS..Hα-helixtrans-65.4-39.9178-74.3169-173.800112.1R249 R253 Q272 V273 M274 Q280R249-E276 IonicContact NH2-OE2 3.12Å; R249-E276 PolarHBondContact NH2-OE2 3.41Å; R249-E276 VanDerWaalsContact NH2-OE2 3.12Å; R253-E276 IonicContact CZ-OE1 3.46Å; R253-E276 VanDerWaalsContact CZ-OE1 3.23Å; R253-E276 IonicContact NH1-OE1 2.85Å; R253-E276 PolarHBondContact NH1-OE1 3.43Å; R253-E276 IonicContact NH1-OE2 3.15Å; R253-E276 PolarHBondContact NH1-OE2 2.92Å; R253-E276 VanDerWaalsContact NH1-OE2 3.11Å; R253-E276 IonicContact NH2-OE1 3.29Å; R253-E276 PolarHBondContact NH2-OE1 3.47Å; Q272-E276 WeakPolarHBondContact O-CB 3.24Å; Q272-E276 WeakPolarHBondContact O-CG 3.32Å; Q272-E276 PolarHBondContact O-N 3.47Å; V273-E276 PolarHBondContact O-N 2.98Å; M274-E276 PolarHBondContact O-N 2.98Å; E276-Q280 WeakPolarHBondContact O-CB 3.34Å; E276-Q280 PolarHBondContact O-N 3.41Å
277T93.9Very high93.6Very high2 Ų258.3 Ų58.31%0.01227%0.269CS..Hα-helixtrans-64.5-49175.9-640000111M241 L242 R249 V273 M274 Q279 Q280 I281M241-T277 HydrophobicContact CB-CG2 3.84Å; M241-T277 HydrophobicContact CE-CG2 4.2Å; M241-T277 HydrophobicContact SD-CG2 4.12Å; L242-T277 HydrophobicContact CD2-CG2 4.38Å; L242-T277 HydrophobicContact CG-CG2 4.47Å; R249-T277 PolarHBondContact NH1-OG1 3.33Å; V273-T277 WeakPolarHBondContact O-CB 3.46Å; V273-T277 PolarHBondContact O-N 2.82Å; V273-T277 PolarHBondContact O-OG1 2.71Å; M274-T277 PolarHBondContact O-N 3.03Å; T277-Q279 PolarHBondContact O-N 3.21Å; T277-Q280 PolarHBondContact O-N 2.97Å; T277-I281 HydrophobicContact CG2-CD1 3.84Å; T277-I281 WeakPolarHBondContact O-CG1 3.45Å; T277-I281 PolarHBondContact O-N 3.43Å; T277-I281 VanDerWaalsContact O-N 3.12Å
278E93.7Very high93.9Very high57 Ų5753.9 Ų53.927%0.26626%0.255SS..Hα-helixtrans-59.3-47.3176.1-73.5-178152.600111.4L215 K238 M274 Q280 I281 Y282L215-E278 HydrophobicContact CD2-CB 4.31Å; K238-E278 HydrophobicContact CD-CG 3.96Å; M274-E278 WeakPolarHBondContact O-CG 3.03Å; M274-E278 PolarHBondContact O-N 3.3Å; E278-Q280 PolarHBondContact O-N 3.11Å; E278-I281 PolarHBondContact O-N 2.77Å; E278-Y282 HydrophobicContact CB-CD2 3.93Å; E278-Y282 HydrophobicContact CB-CE2 3.8Å; E278-Y282 HydrophobicContact CG-CE2 3.99Å; E278-Y282 WeakPolarHBondContact O-CB 3.32Å; E278-Y282 WeakPolarHBondContact O-CD2 3.34Å; E278-Y282 PolarHBondContact O-N 2.92Å
279Q95.1Very high94.1Very high63 Ų6347.1 Ų47.129%0.29422%0.224SC..Hα-helixtrans-58.6-46.2178.3-176.3178.77.600111.7D211 L215 R275 T277 I281 R283D211-Q279 VanDerWaalsContact CB-NE2 3.29Å; D211-Q279 PolarHBondContact OD1-NE2 2.93Å; D211-Q279 PolarHBondContact OD2-NE2 3.35Å; L215-Q279 HydrophobicContact CD1-CB 4.42Å; R275-Q279 WeakPolarHBondContact O-CB 3.42Å; R275-Q279 PolarHBondContact O-N 2.76Å; T277-Q279 PolarHBondContact O-N 3.21Å; Q279-I281 PolarHBondContact O-N 3.12Å; Q279-R283 WeakPolarHBondContact O-CB 3.47Å; Q279-R283 PolarHBondContact O-N 2.92Å
280Q95.1Very high94.3Very high102 Ų10248.3 Ų48.348%0.47723%0.229SC..Hα-helixtrans-58.6-49.8178.5177.8-178.1-22.400111.7E276 T277 E278 Q284E276-Q280 WeakPolarHBondContact O-CB 3.34Å; E276-Q280 PolarHBondContact O-N 3.41Å; T277-Q280 PolarHBondContact O-N 2.97Å; E278-Q280 PolarHBondContact O-N 3.11Å; Q280-Q284 PolarHBondContact O-N 2.88Å; Q280-Q284 VanDerWaalsContact O-N 3.16Å
281I96.2Very high94.3Very high5 Ų551.5 Ų51.53%0.02626%0.255CS..Hα-helixtrans-68.7-50.5-175.1-68170000111A234 Q237 K238 M241 T277 E278 Q279 R283 Q284 L285A234-I281 HydrophobicContact CB-CG2 3.73Å; A234-I281 WeakPolarHBondContact O-CG2 3.4Å; Q237-I281 HydrophobicContact CB-CD1 4.36Å; K238-I281 HydrophobicContact CB-CD1 3.62Å; K238-I281 HydrophobicContact CG-CD1 4.25Å; M241-I281 HydrophobicContact SD-CD1 3.81Å; M241-I281 HydrophobicContact SD-CG1 4.04Å; T277-I281 HydrophobicContact CG2-CD1 3.84Å; T277-I281 WeakPolarHBondContact O-CG1 3.45Å; T277-I281 PolarHBondContact O-N 3.43Å; T277-I281 VanDerWaalsContact O-N 3.12Å; E278-I281 PolarHBondContact O-N 2.77Å; Q279-I281 PolarHBondContact O-N 3.12Å; I281-R283 VanDerWaalsContact C-N 3.33Å; I281-R283 PolarHBondContact O-N 3.3Å; I281-Q284 PolarHBondContact O-N 3.5Å; I281-L285 PolarHBondContact O-N 3.27Å
282Y96.9Very high94.3Very high10 Ų1054 Ų544%0.03926%0.261CS..Hα-helixtrans-72.4-29-176.7-61.2-49.3000112.3S214 L215 W231 E235 K238 E278 T286S214-Y282 WeakPolarHBondContact O-CB 3.34Å; L215-Y282 HydrophobicContact CD2-CD2 3.57Å; L215-Y282 HydrophobicContact CD2-CE2 4.38Å; L215-Y282 HydrophobicContact CD2-CG 4.42Å; W231-Y282 HydrophobicContact CH2-CD1 4.29Å; W231-Y282 AromaticContact CH2-CE1 3.67Å; W231-Y282 HydrophobicContact CH2-CE1 3.67Å; W231-Y282 HydrophobicContact CZ2-CE1 4.25Å; W231-Y282 HydrophobicContact CZ3-CD1 4.14Å; W231-Y282 AromaticContact CZ3-CE1 3.92Å; W231-Y282 HydrophobicContact CZ3-CE1 3.92Å; E235-Y282 PolarHBondContact OE1-OH 2.94Å; K238-Y282 PolarHBondContact NZ-OH 3.39Å; E278-Y282 HydrophobicContact CB-CD2 3.93Å; E278-Y282 HydrophobicContact CB-CE2 3.8Å; E278-Y282 HydrophobicContact CG-CE2 3.99Å; E278-Y282 WeakPolarHBondContact O-CB 3.32Å; E278-Y282 WeakPolarHBondContact O-CD2 3.34Å; E278-Y282 PolarHBondContact O-N 2.92Å; Y282-T286 WeakPolarHBondContact O-CB 3.46Å; Y282-T286 PolarHBondContact O-N 3.1Å; Y282-T286 PolarHBondContact O-OG1 3.24Å
283R96.3Very high94.2Very high94 Ų9453.6 Ų53.636%0.35526%0.256SS..Hα-helixtrans-62.7-47.9170.3-177.9176.1-174.1147.51.8111.1D211 Q279 I281 L285 T286 D287D211-R283 WeakPolarHBondContact OD1-CD 3.49Å; D211-R283 IonicContact OD1-CZ 3.11Å; D211-R283 IonicContact OD1-NE 2.76Å; D211-R283 IonicContact OD1-NH1 2.77Å; D211-R283 PolarHBondContact OD1-NH1 3.41Å; D211-R283 IonicContact OD2-CZ 3.47Å; D211-R283 IonicContact OD2-NH1 3.23Å; D211-R283 PolarHBondContact OD2-NH1 3.44Å; Q279-R283 WeakPolarHBondContact O-CB 3.47Å; Q279-R283 PolarHBondContact O-N 2.92Å; I281-R283 VanDerWaalsContact C-N 3.33Å; I281-R283 PolarHBondContact O-N 3.3Å; R283-L285 PolarHBondContact O-N 2.98Å; R283-T286 WeakPolarHBondContact O-CB 3.5Å; R283-T286 PolarHBondContact O-N 2.68Å; R283-T286 VanDerWaalsContact O-N 3.16Å; R283-D287 PolarHBondContact O-N 3.16Å
284Q96.2Very high93.8Very high93 Ų9356.7 Ų56.744%0.43527%0.272SS..Hα-helixtrans-57.5-49.6176.9-178.4-177.1-2000111.3Q280 I281 T286 D287 E288Q280-Q284 PolarHBondContact O-N 2.88Å; Q280-Q284 VanDerWaalsContact O-N 3.16Å; I281-Q284 PolarHBondContact O-N 3.5Å; Q284-T286 VanDerWaalsContact C-N 3.28Å; Q284-T286 PolarHBondContact O-N 3.06Å; Q284-D287 PolarHBondContact O-N 2.95Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.31Å; Q284-E288 PolarHBondContact NE2-OE1 3.32Å; Q284-E288 WeakPolarHBondContact O-CG 3.34Å; Q284-E288 PolarHBondContact O-N 3.04Å
285L96.7Very high92.9Very high7 Ų757.9 Ų57.94%0.03729%0.285CS..Hα-helixtrans-58.6-42.117717658.8000111.9L223 R230 W231 A234 I281 R283 E288 V289L223-L285 HydrophobicContact CD1-CD2 3.83Å; L223-L285 HydrophobicContact CD1-CG 4.1Å; L223-L285 HydrophobicContact CD2-CG 4.38Å; R230-L285 HydrophobicContact CB-CD1 3.5Å; R230-L285 HydrophobicContact CG-CD1 4.43Å; W231-L285 HydrophobicContact CE3-CD2 4.02Å; A234-L285 HydrophobicContact CB-CD2 3.9Å; I281-L285 PolarHBondContact O-N 3.27Å; R283-L285 PolarHBondContact O-N 2.98Å; L285-E288 PolarHBondContact O-N 2.91Å; L285-V289 HydrophobicContact CD1-CG2 3.89Å; L285-V289 VanDerWaalsContact O-CG2 3.27Å; L285-V289 WeakPolarHBondContact O-CG2 3.28Å; L285-V289 PolarHBondContact O-N 2.98Å
286T96.4Very high91.3Very high1 Ų159.9 Ų59.91%0.00630%0.301CS..Hα-helixtrans-62.7-48.4179.1-62.70000111.3F213 S214 W219 Y282 R283 Q284 E288 V289 L290F213-T286 HydrophobicContact CD1-CG2 3.99Å; F213-T286 HydrophobicContact CE1-CG2 4.36Å; S214-T286 WeakPolarHBondContact CA-OG1 3.41Å; S214-T286 WeakPolarHBondContact CB-OG1 3.43Å; W219-T286 HydrophobicContact CZ2-CG2 4.22Å; W219-T286 PolarHBondContact NE1-OG1 3.47Å; Y282-T286 WeakPolarHBondContact O-CB 3.46Å; Y282-T286 PolarHBondContact O-N 3.1Å; Y282-T286 PolarHBondContact O-OG1 3.24Å; R283-T286 WeakPolarHBondContact O-CB 3.5Å; R283-T286 PolarHBondContact O-N 2.68Å; R283-T286 VanDerWaalsContact O-N 3.16Å; Q284-T286 VanDerWaalsContact C-N 3.28Å; Q284-T286 PolarHBondContact O-N 3.06Å; T286-E288 VanDerWaalsContact C-N 3.34Å; T286-E288 PolarHBondContact O-N 3.03Å; T286-V289 PolarHBondContact O-N 3.07Å; T286-L290 HydrophobicContact CG2-CD1 3.66Å; T286-L290 HydrophobicContact CG2-CG 4.08Å; T286-L290 VanDerWaalsContact O-CB 3.32Å; T286-L290 WeakPolarHBondContact O-CB 3.39Å; T286-L290 VanDerWaalsContact O-CG 3.24Å; T286-L290 WeakPolarHBondContact O-CG 3.27Å; T286-L290 PolarHBondContact O-N 3.28Å
287D95.3Very high89Confident77 Ų7765 Ų6541%0.41233%0.33SS..Hα-helixtrans-61.8-42.8-180-70.6-20.5000111.2R283 Q284 A291R283-D287 PolarHBondContact O-N 3.16Å; Q284-D287 PolarHBondContact O-N 2.95Å; D287-A291 VanDerWaalsContact O-CB 3.27Å; D287-A291 WeakPolarHBondContact O-CB 3.36Å; D287-A291 PolarHBondContact O-N 3.04Å
288E94.9Very high86.2Confident74 Ų7467.8 Ų67.835%0.34636%0.359SS..Hα-helixtrans-60.6-47.7176.1-73178.5-16000112.3R230 Q284 L285 T286 L292R230-E288 IonicContact NH1-OE2 2.91Å; R230-E288 PolarHBondContact NH1-OE2 3.22Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.31Å; Q284-E288 PolarHBondContact NE2-OE1 3.32Å; Q284-E288 WeakPolarHBondContact O-CG 3.34Å; Q284-E288 PolarHBondContact O-N 3.04Å; L285-E288 PolarHBondContact O-N 2.91Å; T286-E288 VanDerWaalsContact C-N 3.34Å; T286-E288 PolarHBondContact O-N 3.03Å; E288-L292 WeakPolarHBondContact O-CG 3.28Å; E288-L292 PolarHBondContact O-N 3.38Å
289V94.9Very high83.3Confident0 Ų070.4 Ų70.40%038%0.384CS..Hα-helixtrans-73.1-39.9-176.8177.20000111.2W219 L223 E227 L285 T286 A291 L292 R293W219-V289 HydrophobicContact CH2-CB 4.22Å; W219-V289 HydrophobicContact CH2-CG1 3.64Å; W219-V289 HydrophobicContact CZ2-CB 4.16Å; W219-V289 HydrophobicContact CZ2-CG1 4.09Å; L223-V289 HydrophobicContact CD2-CB 4.05Å; L223-V289 HydrophobicContact CD2-CG1 3.95Å; L223-V289 HydrophobicContact CD2-CG2 3.78Å; E227-V289 HydrophobicContact CB-CG2 4.4Å; E227-V289 HydrophobicContact CG-CG1 3.86Å; E227-V289 HydrophobicContact CG-CG2 3.8Å; L285-V289 HydrophobicContact CD1-CG2 3.89Å; L285-V289 VanDerWaalsContact O-CG2 3.27Å; L285-V289 WeakPolarHBondContact O-CG2 3.28Å; L285-V289 PolarHBondContact O-N 2.98Å; T286-V289 PolarHBondContact O-N 3.07Å; V289-A291 VanDerWaalsContact C-N 3.33Å; V289-A291 PolarHBondContact O-N 2.95Å; V289-L292 PolarHBondContact O-N 3.45Å; V289-R293 HydrophobicContact CG1-CG 4.23Å; V289-R293 WeakPolarHBondContact O-CB 3.32Å; V289-R293 WeakPolarHBondContact O-CG 3.48Å; V289-R293 PolarHBondContact O-N 3.12Å
290L93.9Very high80.3Confident31 Ų3175.5 Ų75.516%0.16241%0.407CS..Hα-helixtrans-63.4-39.5175.4-70.1-178.7000111.3T125 F213 W219 T286 L292 R293 L294T125-L290 HydrophobicContact CG2-CD2 3.68Å; F213-L290 HydrophobicContact CE1-CD1 4.5Å; W219-L290 HydrophobicContact CH2-CD2 4.14Å; W219-L290 HydrophobicContact CZ2-CD2 4.34Å; W219-L290 HydrophobicContact CZ2-CG 4.4Å; T286-L290 HydrophobicContact CG2-CD1 3.66Å; T286-L290 HydrophobicContact CG2-CG 4.08Å; T286-L290 VanDerWaalsContact O-CB 3.32Å; T286-L290 WeakPolarHBondContact O-CB 3.39Å; T286-L290 VanDerWaalsContact O-CG 3.24Å; T286-L290 WeakPolarHBondContact O-CG 3.27Å; T286-L290 PolarHBondContact O-N 3.28Å; L290-L292 VanDerWaalsContact C-N 3.28Å; L290-L292 PolarHBondContact O-N 2.93Å; L290-R293 PolarHBondContact O-N 2.94Å; L290-L294 HydrophobicContact CD2-CD1 4.11Å; L290-L294 WeakPolarHBondContact O-CA 3.46Å; L290-L294 WeakPolarHBondContact O-CB 3.44Å; L290-L294 PolarHBondContact O-N 3.03Å
291A92.8Very high77.3Confident69 Ų6978.8 Ų78.857%0.5743%0.428SS*.Hα-helixtrans-62.2-34.3175.400000113D287 V289D287-A291 VanDerWaalsContact O-CB 3.27Å; D287-A291 WeakPolarHBondContact O-CB 3.36Å; D287-A291 PolarHBondContact O-N 3.04Å; V289-A291 VanDerWaalsContact C-N 3.33Å; V289-A291 PolarHBondContact O-N 2.95Å
292L91.6Very high74.2Confident106 Ų10687.5 Ų87.556%0.55547%0.468SS*.Hα-helixtrans-75.1-37.3176.8-69.6170.4000112.9E288 V289 L290E288-L292 WeakPolarHBondContact O-CG 3.28Å; E288-L292 PolarHBondContact O-N 3.38Å; V289-L292 PolarHBondContact O-N 3.45Å; L290-L292 VanDerWaalsContact C-N 3.28Å; L290-L292 PolarHBondContact O-N 2.93Å
293R88.7Confident70.8Confident63 Ų6395.2 Ų95.224%0.23850%0.504CS..Hα-helixtrans-95-27.5-171.1-66.6-172.3177.9-146.9-5.8114.6D122 T125 T226 E227 V289 L290 P295D122-R293 PolarHBondContact O-NH1 3.37Å; D122-R293 VanDerWaalsContact O-NH1 3.13Å; T125-R293 HydrophobicContact CG2-CB 4.42Å; T125-R293 VanDerWaalsContact OG1-CD 3.25Å; T125-R293 WeakPolarHBondContact OG1-CD 3.4Å; T125-R293 PolarHBondContact OG1-NH1 3.48Å; T226-R293 PolarHBondContact OG1-NH1 2.9Å; T226-R293 PolarHBondContact OG1-NH2 2.94Å; E227-R293 IonicContact OE1-CZ 3.24Å; E227-R293 IonicContact OE1-NE 3.83Å; E227-R293 PolarHBondContact OE1-NE 3.17Å; E227-R293 IonicContact OE1-NH2 3.48Å; E227-R293 PolarHBondContact OE1-NH2 3.17Å; V289-R293 HydrophobicContact CG1-CG 4.23Å; V289-R293 WeakPolarHBondContact O-CB 3.32Å; V289-R293 WeakPolarHBondContact O-CG 3.48Å; V289-R293 PolarHBondContact O-N 3.12Å; L290-R293 PolarHBondContact O-N 2.94Å; R293-P295 WeakPolarHBondContact O-CD 3.44Å
294L85.9Confident67.7Low66 Ų66100.2 Ų100.235%0.34655%0.553SS.*SBendtrans-122.860.9178.5-59.9176.5000109.3T125 L129 L290 E296T125-L294 HydrophobicContact CG2-CD1 4.31Å; T125-L294 HydrophobicContact CG2-CG 4.44Å; L129-L294 HydrophobicContact CD2-CD1 3.8Å; L290-L294 HydrophobicContact CD2-CD1 4.11Å; L290-L294 WeakPolarHBondContact O-CA 3.46Å; L290-L294 WeakPolarHBondContact O-CB 3.44Å; L290-L294 PolarHBondContact O-N 3.03Å; L294-E296 PolarHBondContact O-N 2.86Å
295P71.5Confident66.3Low88 Ų88100.6 Ų100.657%0.57156%0.559SS**  trans-59.7115.3174.525.7-32.2000107.9R293 N297R293-P295 WeakPolarHBondContact O-CD 3.44Å; P295-N297 VanDerWaalsContact C-N 3.3Å; P295-N297 PolarHBondContact O-N 3.23Å
296E58.4Low64.7Low191 Ų191105.5 Ų105.589%0.89359%0.586SS**  trans-53.686.2-178.9-70.8-173.1147.800111.1L294 G298L294-E296 PolarHBondContact O-N 2.86Å; E296-G298 VanDerWaalsContact O-CA 3.28Å; E296-G298 WeakPolarHBondContact O-CA 3.31Å; E296-G298 PolarHBondContact O-N 2.91Å
297N44.9Very low62.9Low165 Ų165111.3 Ų111.388%0.88262%0.619SS**SBendtrans33.940.6175.2-74.7-31.8000114.3P295 S299P295-N297 VanDerWaalsContact C-N 3.3Å; P295-N297 PolarHBondContact O-N 3.23Å; N297-S299 PolarHBondContact O-N 3.12Å
298G35.7Very low61Low61 Ų61113.3 Ų113.363%0.62963%0.631SS**  trans-92.346.5-162.300000111.7E296E296-G298 VanDerWaalsContact O-CA 3.28Å; E296-G298 WeakPolarHBondContact O-CA 3.31Å; E296-G298 PolarHBondContact O-N 2.91Å
299S32.5Very low58.9Low113 Ų113115.8 Ų115.879%0.7965%0.649SS**SBendtrans-162.986161.4-77.50000106.2N297 L301N297-S299 PolarHBondContact O-N 3.12Å; S299-L301 PolarHBondContact O-N 2.89Å
300Q30.5Very low56.5Low169 Ų169123.5 Ų123.579%0.7969%0.692SS**  trans-33.2116.9156.1-73.6171.9-16.700108.9H302Q300-H302 PolarHBondContact O-N 2.93Å
301L32.8Very low53.8Low172 Ų172130.1 Ų130.190%0.90173%0.73SS**  trans-25.4113.4154.4-74.6156000108.9S299 H303S299-L301 PolarHBondContact O-N 2.89Å; L301-H303 PolarHBondContact O-N 3.02Å
302H31.6Very low50.8Low188 Ų188134.8 Ų134.887%0.8774%0.742SS**  trans-29.4120.6174.2-86.2-98.8000111.7Q300 S304Q300-H302 PolarHBondContact O-N 2.93Å; H302-S304 PolarHBondContact O-N 2.95Å
303H24.9Very low47.4Very low172 Ų172137.2 Ų137.280%0.79676%0.758SS**  trans-41.8110.8152.1-76.6-71.4000110.1L301L301-H303 PolarHBondContact O-N 3.02Å
304S31.6Very low43.7Very low198 Ų198143.9 Ų143.9100%1.38581%0.805SS**  trans177.60139.4-74.20000110.2H302H302-S304 PolarHBondContact O-N 2.95Å

Retrieved 304 of 304 residues in 2752.2 ms (Link to these results)

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