A0A077Z6I9_TRITR Loading...

Zf-CCHC domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6I9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 263 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
1M38.6Very low52.5Low238 Ų238119.8 Ų119.8100%1.17271%0.71SS**  093.90-73.4-178.9173.500106.7
2D37.4Very low54.8Low157 Ų157113.5 Ų113.584%0.8467%0.673SS**  trans55.275.1151.3-44-23.6000118.8C4D2-C4 PolarHBondContact O-N 3.24Å; D2-C4 VanDerWaalsContact O-N 3.11Å
3T43.9Very low57.2Low146 Ų146116.5 Ų116.590%0.89668%0.677SS**  trans-7289145.151.80000107.3G5T3-G5 PolarHBondContact O-N 3.15Å; T3-G5 VanDerWaalsContact O-N 3.12Å
4C45.3Very low59.3Low119 Ų119113.1 Ų113.180%0.80465%0.654SS**  trans-55.3114.2171.4-172.70000108.5D2 T6D2-C4 PolarHBondContact O-N 3.24Å; D2-C4 VanDerWaalsContact O-N 3.11Å; C4-T6 PolarHBondContact O-N 3.32Å
5G41.6Very low61.3Low65 Ų65105.6 Ų105.667%0.6761%0.61SS**  trans-63.7112.3174.800000109.3T3 D7T3-G5 PolarHBondContact O-N 3.15Å; T3-G5 VanDerWaalsContact O-N 3.12Å; G5-D7 PolarHBondContact O-N 3.2Å
6T46.4Very low63.2Low134 Ų134101.9 Ų101.982%0.82259%0.591SS**  trans-66.196153.746.70000105.9C4 G8C4-T6 PolarHBondContact O-N 3.32Å; T6-G8 PolarHBondContact O-N 3.4Å
7D49.6Very low65Low162 Ų162101.9 Ų101.987%0.86659%0.585SS**  trans-53.9101.3158.4-96.3-22.1000105.9G5 L9G5-D7 PolarHBondContact O-N 3.2Å; D7-L9 VanDerWaalsContact C-N 3.32Å; D7-L9 PolarHBondContact O-N 3.4Å
8G55.6Low66.6Low36 Ų3696.4 Ų96.437%0.37155%0.553SS.*  trans-67.489.1-170.600000109.7T6 I10T6-G8 PolarHBondContact O-N 3.4Å; G8-I10 VanDerWaalsContact C-N 3.34Å; G8-I10 PolarHBondContact O-N 3.44Å
9L64.2Low67.9Low163 Ų16393.6 Ų93.685%0.85354%0.536SS*.  trans-68.595.6171.7-148116.1000107.2D7 D11D7-L9 VanDerWaalsContact C-N 3.32Å; D7-L9 PolarHBondContact O-N 3.4Å; L9-D11 PolarHBondContact O-N 3.42Å
10I73.1Confident68.9Low20 Ų2090.1 Ų90.110%0.10352%0.521CS..  trans-64.5125.7172.8-64.7-176.1000107.7G8 V12 V36 Y40 V42G8-I10 VanDerWaalsContact C-N 3.34Å; G8-I10 PolarHBondContact O-N 3.44Å; I10-V12 VanDerWaalsContact C-N 3.35Å; I10-V12 PolarHBondContact O-N 3.23Å; I10-V36 HydrophobicContact CG2-CG1 4.16Å; I10-Y40 HydrophobicContact CG1-CD1 4.41Å; I10-Y40 HydrophobicContact CG1-CG 4.02Å; I10-V42 HydrophobicContact CD1-CB 3.53Å; I10-V42 HydrophobicContact CD1-CG1 4.13Å; I10-V42 HydrophobicContact CD1-CG2 3.13Å; I10-V42 HydrophobicContact CG1-CB 4.42Å; I10-V42 HydrophobicContact CG1-CG2 3.49Å; I10-V42 VanDerWaalsContact CG1-CG2 3.49Å
11D81.8Confident69.4Low78 Ų7891.1 Ų91.142%0.41752%0.524SS..  trans-70.296.6159.2-178.16.8000108.8L9 Q13 L14L9-D11 PolarHBondContact O-N 3.42Å; D11-Q13 PolarHBondContact O-N 3.4Å; D11-Q13 VanDerWaalsContact OD1-CB 3.29Å; D11-Q13 WeakPolarHBondContact OD1-CB 3.33Å; D11-Q13 WeakPolarHBondContact OD1-CG 3.5Å; D11-Q13 PolarHBondContact OD1-N 3.49Å; D11-Q13 VanDerWaalsContact OD1-N 3.13Å; D11-L14 HydrophobicContact CB-CD1 4.18Å; D11-L14 HydrophobicContact CB-CG 4.24Å; D11-L14 WeakPolarHBondContact O-CB 3.16Å; D11-L14 VanDerWaalsContact O-CG 3.31Å; D11-L14 WeakPolarHBondContact O-CG 3.48Å; D11-L14 PolarHBondContact O-N 3.27Å
12V80Confident70.7Confident44 Ų4489.3 Ų89.327%0.26751%0.512SS..G310 helixtrans-61.3-16.6-175.6-154.50000111.6I10 L14 I15 L51 R52I10-V12 VanDerWaalsContact C-N 3.35Å; I10-V12 PolarHBondContact O-N 3.23Å; V12-L14 PolarHBondContact O-N 3.36Å; V12-I15 PolarHBondContact O-N 3.22Å; V12-I15 VanDerWaalsContact O-N 3.17Å; V12-L51 HydrophobicContact CG1-CB 3.99Å; V12-L51 HydrophobicContact CG1-CD1 4.19Å; V12-L51 HydrophobicContact CG2-CD1 4.3Å; V12-R52 HydrophobicContact CG1-CG 3.5Å; V12-R52 WeakPolarHBondContact O-CD 3.26Å; V12-R52 PolarHBondContact O-NE 2.78Å; V12-R52 VanDerWaalsContact O-NE 3.15Å
13Q85.5Confident72.4Confident153 Ų15385.9 Ų85.972%0.71551%0.514SS*.G310 helixtrans-66.3-18.4175.5-58.7-171.6-7.700113.3D11 I15D11-Q13 PolarHBondContact O-N 3.4Å; D11-Q13 VanDerWaalsContact OD1-CB 3.29Å; D11-Q13 WeakPolarHBondContact OD1-CB 3.33Å; D11-Q13 WeakPolarHBondContact OD1-CG 3.5Å; D11-Q13 PolarHBondContact OD1-N 3.49Å; D11-Q13 VanDerWaalsContact OD1-N 3.13Å; Q13-I15 PolarHBondContact O-N 3.38Å
14L87.5Confident74Confident68 Ų6883.2 Ų83.236%0.35649%0.491SS..G310 helixtrans-66.3-25.6174.3-64.9172.1000112.8D11 V12 V36 Y40D11-L14 HydrophobicContact CB-CD1 4.18Å; D11-L14 HydrophobicContact CB-CG 4.24Å; D11-L14 WeakPolarHBondContact O-CB 3.16Å; D11-L14 VanDerWaalsContact O-CG 3.31Å; D11-L14 WeakPolarHBondContact O-CG 3.48Å; D11-L14 PolarHBondContact O-N 3.27Å; V12-L14 PolarHBondContact O-N 3.36Å; L14-V36 HydrophobicContact CB-CG1 4.45Å; L14-Y40 HydrophobicContact CD1-CE1 4.47Å; L14-Y40 HydrophobicContact CD1-CE2 3.55Å; L14-Y40 VanDerWaalsContact CD1-CZ 3.45Å; L14-Y40 WeakPolarHBondContact CD1-OH 3.42Å
15I89.5Confident76Confident1 Ų178.4 Ų78.41%0.00546%0.459CS..SBendtrans-87.7123.6174.1-63.6168.9000107.2V12 Q13 W29 V33 V36 V48 R52V12-I15 PolarHBondContact O-N 3.22Å; V12-I15 VanDerWaalsContact O-N 3.17Å; Q13-I15 PolarHBondContact O-N 3.38Å; I15-W29 HydrophobicContact CG2-CZ2 4.1Å; I15-V33 HydrophobicContact CD1-CG1 4.29Å; I15-V33 HydrophobicContact CD1-CG2 4.4Å; I15-V33 HydrophobicContact CG2-CG2 3.6Å; I15-V36 HydrophobicContact CD1-CB 4.42Å; I15-V36 HydrophobicContact CD1-CG1 4.2Å; I15-V36 HydrophobicContact CG1-CB 4.08Å; I15-V36 HydrophobicContact CG1-CG1 3.99Å; I15-V36 HydrophobicContact CG1-CG2 4.19Å; I15-V48 HydrophobicContact CD1-CG1 3.39Å; I15-R52 HydrophobicContact CB-CG 3.94Å; I15-R52 HydrophobicContact CG2-CB 3.78Å; I15-R52 HydrophobicContact CG2-CG 3.73Å; I15-R52 VanDerWaalsContact O-CZ 3.22Å; I15-R52 PolarHBondContact O-NE 3.27Å; I15-R52 PolarHBondContact O-NH2 3.49Å
16P91.5Very high78.4Confident46 Ų4675.4 Ų75.430%0.29943%0.428SS..PPolyproline II helixtrans-66.5154.6176.427.9-32.4000110.7W29 K32P16-W29 PolarHBondContact O-NE1 2.85Å; P16-K32 HydrophobicContact CG-CD 4.02Å
17E93.3Very high80.4Confident103 Ų10372 Ų7248%0.48140%0.403SS..PPolyproline II helixtrans-72.2142.4172.6-66.6176.6-168.900110.4Q24 R52 T54E17-Q24 PolarHBondContact O-OE1 3.43Å; E17-R52 CarbonylContact C-O 3.58Å; E17-R52 VanDerWaalsContact CA-O 3.32Å; E17-R52 WeakPolarHBondContact CA-O 3.4Å; E17-R52 IonicContact OE1-CZ 3.05Å; E17-R52 IonicContact OE1-NH1 3.43Å; E17-R52 PolarHBondContact OE1-NH1 3.27Å; E17-R52 IonicContact OE1-NH2 3Å; E17-T54 HydrophobicContact CB-CG2 4.15Å; E17-T54 HydrophobicContact CG-CG2 4.19Å
18F94.1Very high82.3Confident2 Ų269.1 Ų69.11%0.00939%0.385CS..BIsolated β-bridgetrans-122.6114.7175.2-176.7-99.2000110.1Q24 I26 W29 R52 L53 T54 A57 F83F18-Q24 HydrophobicContact CD2-CB 4.09Å; F18-Q24 HydrophobicContact CE2-CB 3.93Å; F18-I26 HydrophobicContact CD1-CD1 4.05Å; F18-I26 HydrophobicContact CE1-CB 4.38Å; F18-I26 HydrophobicContact CE1-CD1 3.67Å; F18-I26 HydrophobicContact CE1-CG1 4.45Å; F18-I26 HydrophobicContact CE2-CB 4.25Å; F18-I26 HydrophobicContact CE2-CD1 4.45Å; F18-I26 HydrophobicContact CZ-CB 3.77Å; F18-I26 HydrophobicContact CZ-CD1 3.89Å; F18-I26 HydrophobicContact CZ-CG1 4.32Å; F18-W29 HydrophobicContact CB-CD2 3.8Å; F18-W29 HydrophobicContact CB-CE3 4.5Å; F18-W29 HydrophobicContact CB-CG 3.93Å; F18-W29 HydrophobicContact CB-CZ2 3.99Å; F18-W29 HydrophobicContact CD2-CB 4.21Å; F18-W29 HydrophobicContact CD2-CG 4.09Å; F18-W29 HydrophobicContact CG-CD2 4.17Å; F18-W29 HydrophobicContact CG-CG 4.16Å; F18-R52 PolarHBondContact N-O 3.06Å; F18-L53 HydrophobicContact CB-CD2 4.28Å; F18-L53 HydrophobicContact CD1-CD2 3.95Å; F18-L53 WeakPolarHBondContact O-CA 3.35Å; F18-T54 PolarHBondContact O-N 3.47Å; F18-A57 HydrophobicContact CD1-CB 3.49Å; F18-A57 VanDerWaalsContact CD1-CB 3.49Å; F18-A57 HydrophobicContact CE1-CB 3.73Å; F18-A57 WeakPolarHBondContact O-CB 3.41Å; F18-F83 HydrophobicContact CE1-CB 4.29Å; F18-F83 HydrophobicContact CE1-CD1 4.5Å; F18-F83 HydrophobicContact CE1-CD2 4.01Å; F18-F83 AromaticContact CE1-CG 4Å; F18-F83 HydrophobicContact CE1-CG 4Å; F18-F83 HydrophobicContact CZ-CB 4.03Å; F18-F83 HydrophobicContact CZ-CG 4.16Å
19D92.1Very high84.1Confident43 Ų4367.9 Ų67.923%0.2337%0.369CS..  trans-98.4-13.9-178.358.74.2000113.6L21 T54 G56 A57D19-L21 HydrophobicContact CB-CG 4.41Å; D19-L21 WeakPolarHBondContact OD1-CB 3.36Å; D19-L21 PolarHBondContact OD1-N 3.15Å; D19-L21 WeakPolarHBondContact OD2-CD1 3.42Å; D19-L21 WeakPolarHBondContact OD2-CG 3.45Å; D19-T54 WeakPolarHBondContact CA-O 3.46Å; D19-T54 WeakPolarHBondContact CA-OG1 3.25Å; D19-T54 WeakPolarHBondContact CB-OG1 3.4Å; D19-G56 PolarHBondContact O-N 3.48Å; D19-A57 PolarHBondContact O-N 3.29Å
20G86Confident85.5Confident23 Ų2360.6 Ų60.624%0.23733%0.33CS..  trans83.912.9-17400000114.6
21L80.8Confident86.5Confident112 Ų11266.3 Ų66.359%0.58635%0.354SS*.  trans-81.2159.8178-66-175.5000113.2D19 G23D19-L21 HydrophobicContact CB-CG 4.41Å; D19-L21 WeakPolarHBondContact OD1-CB 3.36Å; D19-L21 PolarHBondContact OD1-N 3.15Å; D19-L21 WeakPolarHBondContact OD2-CD1 3.42Å; D19-L21 WeakPolarHBondContact OD2-CG 3.45Å; L21-G23 PolarHBondContact O-N 3.07Å
22H65.8Low87Confident200 Ų20067.2 Ų67.293%0.92636%0.355SS*.THydrogen-bonded Turntrans-58.4124.2-178.4-58.892.3000111.9
23G71.9Confident87.6Confident85 Ų8565.2 Ų65.288%0.87634%0.343SS*.THydrogen-bonded Turntrans120.8-20.1173.700000114.5L21L21-G23 PolarHBondContact O-N 3.07Å
24Q79.3Confident88Confident90 Ų9060.5 Ų60.542%0.42132%0.321SS..  trans-98.4130.2172.9-59.4-16938.500110.4E17 F18E17-Q24 PolarHBondContact O-OE1 3.43Å; F18-Q24 HydrophobicContact CD2-CB 4.09Å; F18-Q24 HydrophobicContact CE2-CB 3.93Å
25S86.9Confident88.2Confident18 Ų1861.7 Ų61.713%0.12633%0.327CS..  trans-84.8118.3173.8-178.80000110.2M27 E28 W29S25-M27 PolarHBondContact O-N 3.41Å; S25-M27 PolarHBondContact OG-N 3.43Å; S25-E28 PolarHBondContact O-N 3.48Å; S25-E28 VanDerWaalsContact O-N 3.11Å; S25-W29 PolarHBondContact O-N 3.16Å
26I91.3Very high88.3Confident3 Ų362.4 Ų62.42%0.01533%0.331CS..Hα-helixtrans-55.3-35.2173.7179.459.3000112F18 W29 L30 L79 L80 F83F18-I26 HydrophobicContact CD1-CD1 4.05Å; F18-I26 HydrophobicContact CE1-CB 4.38Å; F18-I26 HydrophobicContact CE1-CD1 3.67Å; F18-I26 HydrophobicContact CE1-CG1 4.45Å; F18-I26 HydrophobicContact CE2-CB 4.25Å; F18-I26 HydrophobicContact CE2-CD1 4.45Å; F18-I26 HydrophobicContact CZ-CB 3.77Å; F18-I26 HydrophobicContact CZ-CD1 3.89Å; F18-I26 HydrophobicContact CZ-CG1 4.32Å; I26-W29 HydrophobicContact CD1-CE3 3.91Å; I26-W29 HydrophobicContact CD1-CZ3 4.47Å; I26-W29 PolarHBondContact O-N 3.37Å; I26-L30 HydrophobicContact CD1-CD1 4.17Å; I26-L30 HydrophobicContact CD1-CG 3.98Å; I26-L30 HydrophobicContact CG1-CD1 4Å; I26-L30 HydrophobicContact CG1-CG 4.28Å; I26-L30 WeakPolarHBondContact O-CB 3.49Å; I26-L30 VanDerWaalsContact O-CG 3.29Å; I26-L30 WeakPolarHBondContact O-CG 3.5Å; I26-L30 PolarHBondContact O-N 2.85Å; I26-L79 HydrophobicContact CD1-CB 4.04Å; I26-L79 HydrophobicContact CD1-CD1 4.49Å; I26-L79 HydrophobicContact CG1-CB 4.21Å; I26-L80 HydrophobicContact CG1-CD2 4.26Å; I26-L80 HydrophobicContact CG2-CD2 3.92Å; I26-F83 HydrophobicContact CB-CB 4.14Å; I26-F83 HydrophobicContact CG2-CB 4.13Å
27M89.3Confident88.3Confident63 Ų6360.2 Ų60.231%0.3132%0.317SS..Hα-helixtrans-67-42.2177.5-69.9-165.8-51.900112.4S25 W29 K31 L80 L118S25-M27 PolarHBondContact O-N 3.41Å; S25-M27 PolarHBondContact OG-N 3.43Å; M27-W29 VanDerWaalsContact C-N 3.34Å; M27-K31 WeakPolarHBondContact O-CB 3.39Å; M27-K31 WeakPolarHBondContact O-CG 3.43Å; M27-K31 PolarHBondContact O-N 3.42Å; M27-L80 HydrophobicContact CG-CD2 3.58Å; M27-L118 HydrophobicContact CE-CD2 3.23Å; M27-L118 HydrophobicContact CE-CG 3.96Å; M27-L118 HydrophobicContact SD-CD2 4.47Å
28E89Confident88.2Confident101 Ų10162.1 Ų62.147%0.47233%0.326SS..Hα-helixtrans-68.5-38.9176.7-65.6-174.4148.200111.4S25 K31 K32 R114S25-E28 PolarHBondContact O-N 3.48Å; S25-E28 VanDerWaalsContact O-N 3.11Å; E28-K31 PolarHBondContact O-N 2.85Å; E28-K32 WeakPolarHBondContact O-CB 3.43Å; E28-K32 PolarHBondContact O-N 3.3Å; E28-R114 WeakPolarHBondContact OE1-CD 3.5Å
29W94Very high88.1Confident9 Ų968.2 Ų68.23%0.03436%0.358CS..Hα-helixtrans-61.1-49.4174.8-175.587000111.4I15 P16 F18 S25 I26 M27 K31 K32 V33 I49 R52 L53I15-W29 HydrophobicContact CG2-CZ2 4.1Å; P16-W29 PolarHBondContact O-NE1 2.85Å; F18-W29 HydrophobicContact CB-CD2 3.8Å; F18-W29 HydrophobicContact CB-CE3 4.5Å; F18-W29 HydrophobicContact CB-CG 3.93Å; F18-W29 HydrophobicContact CB-CZ2 3.99Å; F18-W29 HydrophobicContact CD2-CB 4.21Å; F18-W29 HydrophobicContact CD2-CG 4.09Å; F18-W29 HydrophobicContact CG-CD2 4.17Å; F18-W29 HydrophobicContact CG-CG 4.16Å; S25-W29 PolarHBondContact O-N 3.16Å; I26-W29 HydrophobicContact CD1-CE3 3.91Å; I26-W29 HydrophobicContact CD1-CZ3 4.47Å; I26-W29 PolarHBondContact O-N 3.37Å; M27-W29 VanDerWaalsContact C-N 3.34Å; W29-K31 PolarHBondContact O-N 3.08Å; W29-K32 WeakPolarHBondContact O-CB 3.39Å; W29-K32 PolarHBondContact O-N 3.42Å; W29-K32 VanDerWaalsContact O-N 3.12Å; W29-V33 HydrophobicContact CD2-CG2 3.96Å; W29-V33 HydrophobicContact CE3-CG2 3.98Å; W29-V33 HydrophobicContact CH2-CG2 3.82Å; W29-V33 HydrophobicContact CZ2-CG2 3.78Å; W29-V33 HydrophobicContact CZ3-CG2 3.91Å; W29-V33 WeakPolarHBondContact O-CG2 3.48Å; W29-V33 PolarHBondContact O-N 2.74Å; W29-I49 HydrophobicContact CH2-CB 4.49Å; W29-I49 HydrophobicContact CH2-CG2 4.02Å; W29-I49 HydrophobicContact CZ3-CG2 4.15Å; W29-R52 HydrophobicContact CZ2-CB 3.97Å; W29-L53 HydrophobicContact CH2-CD2 3.57Å; W29-L53 HydrophobicContact CH2-CG 4.23Å; W29-L53 HydrophobicContact CZ2-CD2 4.12Å; W29-L53 HydrophobicContact CZ3-CD2 3.94Å
30L93.9Very high87.9Confident10 Ų1071.2 Ų71.25%0.05237%0.367CS..Hα-helixtrans-60.2-44.8177-76172.9000112.1I26 K32 V33 E34 I49 K76 L80I26-L30 HydrophobicContact CD1-CD1 4.17Å; I26-L30 HydrophobicContact CD1-CG 3.98Å; I26-L30 HydrophobicContact CG1-CD1 4Å; I26-L30 HydrophobicContact CG1-CG 4.28Å; I26-L30 WeakPolarHBondContact O-CB 3.49Å; I26-L30 VanDerWaalsContact O-CG 3.29Å; I26-L30 WeakPolarHBondContact O-CG 3.5Å; I26-L30 PolarHBondContact O-N 2.85Å; L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.41Å; L30-V33 WeakPolarHBondContact O-CB 3.48Å; L30-V33 PolarHBondContact O-N 2.74Å; L30-V33 VanDerWaalsContact O-N 3.16Å; L30-E34 WeakPolarHBondContact O-CG 3.36Å; L30-E34 PolarHBondContact O-N 3.31Å; L30-I49 HydrophobicContact CD2-CD1 4.31Å; L30-K76 HydrophobicContact CD1-CB 4.37Å; L30-K76 HydrophobicContact CD1-CG 4.2Å; L30-K76 HydrophobicContact CD2-CG 4.1Å; L30-L80 HydrophobicContact CD1-CD1 4.47Å; L30-L80 HydrophobicContact CD1-CD2 4.01Å; L30-L80 HydrophobicContact CD1-CG 4.02Å
31K92.8Very high88Confident140 Ų14072.8 Ų72.861%0.60938%0.383SS*.Hα-helixtrans-59-38.8174.7-76.7176.4179.7178.90112.2M27 E28 W29 L35M27-K31 WeakPolarHBondContact O-CB 3.39Å; M27-K31 WeakPolarHBondContact O-CG 3.43Å; M27-K31 PolarHBondContact O-N 3.42Å; E28-K31 PolarHBondContact O-N 2.85Å; W29-K31 PolarHBondContact O-N 3.08Å; K31-L35 VanDerWaalsContact O-CB 3.31Å; K31-L35 WeakPolarHBondContact O-CB 3.4Å; K31-L35 PolarHBondContact O-N 3.19Å
32K92.5Very high88.3Confident97 Ų9769.2 Ų69.242%0.42237%0.366SS..Hα-helixtrans-67.9-40.8176.5-173.4171.3178.8-179.70111.6P16 E28 W29 L30 L35 V36P16-K32 HydrophobicContact CG-CD 4.02Å; E28-K32 WeakPolarHBondContact O-CB 3.43Å; E28-K32 PolarHBondContact O-N 3.3Å; W29-K32 WeakPolarHBondContact O-CB 3.39Å; W29-K32 PolarHBondContact O-N 3.42Å; W29-K32 VanDerWaalsContact O-N 3.12Å; L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.41Å; K32-L35 PolarHBondContact O-N 3.15Å; K32-V36 VanDerWaalsContact O-CG2 3.3Å; K32-V36 WeakPolarHBondContact O-CG2 3.5Å; K32-V36 PolarHBondContact O-N 3.4Å
33V93.1Very high89.2Confident2 Ų269.5 Ų69.51%0.01236%0.364CS..Hα-helixtrans-59.9-50.4173.9173.60000110.6I15 W29 L30 L35 V36 C37 I45 V48 I49I15-V33 HydrophobicContact CD1-CG1 4.29Å; I15-V33 HydrophobicContact CD1-CG2 4.4Å; I15-V33 HydrophobicContact CG2-CG2 3.6Å; W29-V33 HydrophobicContact CD2-CG2 3.96Å; W29-V33 HydrophobicContact CE3-CG2 3.98Å; W29-V33 HydrophobicContact CH2-CG2 3.82Å; W29-V33 HydrophobicContact CZ2-CG2 3.78Å; W29-V33 HydrophobicContact CZ3-CG2 3.91Å; W29-V33 WeakPolarHBondContact O-CG2 3.48Å; W29-V33 PolarHBondContact O-N 2.74Å; L30-V33 WeakPolarHBondContact O-CB 3.48Å; L30-V33 PolarHBondContact O-N 2.74Å; L30-V33 VanDerWaalsContact O-N 3.16Å; V33-L35 PolarHBondContact O-N 2.91Å; V33-V36 PolarHBondContact O-N 2.95Å; V33-C37 WeakPolarHBondContact O-CB 3.22Å; V33-C37 PolarHBondContact O-N 3.16Å; V33-C37 PolarHBondContact O-SG 3.41Å; V33-I45 HydrophobicContact CG1-CG2 4.11Å; V33-V48 HydrophobicContact CG1-CG1 4.44Å; V33-I49 HydrophobicContact CG1-CG1 4.18Å
34E93Very high90Very high54 Ų5469.5 Ų69.525%0.25235%0.345SS..Hα-helixtrans-56.4-49.3177.5-71.5172.1162.900111.4L30 V36 C37 E38 I45 K76L30-E34 WeakPolarHBondContact O-CG 3.36Å; L30-E34 PolarHBondContact O-N 3.31Å; E34-V36 PolarHBondContact O-N 3.34Å; E34-C37 PolarHBondContact O-N 3.21Å; E34-E38 WeakPolarHBondContact O-CB 3.46Å; E34-E38 WeakPolarHBondContact O-CG 3.31Å; E34-E38 PolarHBondContact O-N 3.3Å; E34-I45 HydrophobicContact CG-CD1 4.49Å; E34-K76 WeakPolarHBondContact OE1-CE 3.41Å; E34-K76 IonicContact OE1-NZ 2.74Å; E34-K76 PolarHBondContact OE1-NZ 3.36Å
35L92.6Very high90.6Very high94 Ų9466.8 Ų66.849%0.49233%0.332SS..Hα-helixtrans-59.8-43.4178.8-179.164.9000112.4K31 K32 V33 E38 L39K31-L35 VanDerWaalsContact O-CB 3.31Å; K31-L35 WeakPolarHBondContact O-CB 3.4Å; K31-L35 PolarHBondContact O-N 3.19Å; K32-L35 PolarHBondContact O-N 3.15Å; V33-L35 PolarHBondContact O-N 2.91Å; L35-E38 PolarHBondContact O-N 3.47Å; L35-L39 HydrophobicContact CD1-CD1 4.23Å; L35-L39 HydrophobicContact CD1-CG 4.37Å; L35-L39 HydrophobicContact CG-CD1 4.09Å; L35-L39 WeakPolarHBondContact O-CB 3.48Å; L35-L39 VanDerWaalsContact O-CG 3.24Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.43Å
36V92Very high90.7Very high15 Ų1566.1 Ų66.19%0.09133%0.328CS..Hα-helixtrans-64.4-46.6176.4172.80000110.1I10 L14 I15 K32 V33 E34 E38 L39 Y40I10-V36 HydrophobicContact CG2-CG1 4.16Å; L14-V36 HydrophobicContact CB-CG1 4.45Å; I15-V36 HydrophobicContact CD1-CB 4.42Å; I15-V36 HydrophobicContact CD1-CG1 4.2Å; I15-V36 HydrophobicContact CG1-CB 4.08Å; I15-V36 HydrophobicContact CG1-CG1 3.99Å; I15-V36 HydrophobicContact CG1-CG2 4.19Å; K32-V36 VanDerWaalsContact O-CG2 3.3Å; K32-V36 WeakPolarHBondContact O-CG2 3.5Å; K32-V36 PolarHBondContact O-N 3.4Å; V33-V36 PolarHBondContact O-N 2.95Å; E34-V36 PolarHBondContact O-N 3.34Å; V36-E38 VanDerWaalsContact C-N 3.32Å; V36-E38 PolarHBondContact O-N 3.21Å; V36-L39 PolarHBondContact O-N 3.04Å; V36-Y40 HydrophobicContact CG1-CD2 3.94Å; V36-Y40 HydrophobicContact CG1-CE2 4.22Å; V36-Y40 VanDerWaalsContact O-CD2 3.29Å; V36-Y40 WeakPolarHBondContact O-CD2 3.48Å; V36-Y40 PolarHBondContact O-N 3.01Å; V36-Y40 VanDerWaalsContact O-N 3.08Å
37C91.5Very high90.6Very high0 Ų068.7 Ų68.70%035%0.347CS..Hα-helixtrans-59.9-41178-69.40000112.4V33 E34 Y40 G41 V42 I45V33-C37 WeakPolarHBondContact O-CB 3.22Å; V33-C37 PolarHBondContact O-N 3.16Å; V33-C37 PolarHBondContact O-SG 3.41Å; E34-C37 PolarHBondContact O-N 3.21Å; C37-Y40 PolarHBondContact O-N 3.43Å; C37-G41 PolarHBondContact O-N 2.97Å; C37-V42 HydrophobicContact CB-CB 4.4Å; C37-V42 PolarHBondContact O-N 3.47Å; C37-I45 HydrophobicContact CB-CD1 4.43Å; C37-I45 HydrophobicContact CB-CG1 3.93Å
38E91.1Very high90.7Very high143 Ų14366.3 Ų66.367%0.66834%0.335SS*.Hα-helixtrans-62.5-46.9175.9-75.3176.8-175.100112.1E34 L35 V36 Y40 G41E34-E38 WeakPolarHBondContact O-CB 3.46Å; E34-E38 WeakPolarHBondContact O-CG 3.31Å; E34-E38 PolarHBondContact O-N 3.3Å; L35-E38 PolarHBondContact O-N 3.47Å; V36-E38 VanDerWaalsContact C-N 3.32Å; V36-E38 PolarHBondContact O-N 3.21Å; E38-Y40 VanDerWaalsContact C-N 3.29Å; E38-Y40 PolarHBondContact O-N 3.47Å; E38-G41 PolarHBondContact O-N 3.31Å
39L90.4Very high90.8Very high131 Ų13161.5 Ų61.569%0.68631%0.313SS*.Hα-helixtrans-66-30.3-178.8-71.7172.5000113.3L35 V36L35-L39 HydrophobicContact CD1-CD1 4.23Å; L35-L39 HydrophobicContact CD1-CG 4.37Å; L35-L39 HydrophobicContact CG-CD1 4.09Å; L35-L39 WeakPolarHBondContact O-CB 3.48Å; L35-L39 VanDerWaalsContact O-CG 3.24Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.43Å; V36-L39 PolarHBondContact O-N 3.04Å
40Y89.7Confident90.8Very high105 Ų10562.1 Ų62.141%0.41232%0.318SS..Hα-helixtrans-97.70.6178.3-75.2-94000113.8I10 L14 V36 C37 E38I10-Y40 HydrophobicContact CG1-CD1 4.41Å; I10-Y40 HydrophobicContact CG1-CG 4.02Å; L14-Y40 HydrophobicContact CD1-CE1 4.47Å; L14-Y40 HydrophobicContact CD1-CE2 3.55Å; L14-Y40 VanDerWaalsContact CD1-CZ 3.45Å; L14-Y40 WeakPolarHBondContact CD1-OH 3.42Å; V36-Y40 HydrophobicContact CG1-CD2 3.94Å; V36-Y40 HydrophobicContact CG1-CE2 4.22Å; V36-Y40 VanDerWaalsContact O-CD2 3.29Å; V36-Y40 WeakPolarHBondContact O-CD2 3.48Å; V36-Y40 PolarHBondContact O-N 3.01Å; V36-Y40 VanDerWaalsContact O-N 3.08Å; C37-Y40 PolarHBondContact O-N 3.43Å; E38-Y40 VanDerWaalsContact C-N 3.29Å; E38-Y40 PolarHBondContact O-N 3.47Å
41G86.8Confident90.7Very high57 Ų5767 Ų6759%0.58834%0.344SS*.THydrogen-bonded Turntrans73.423.117600000115.2C37 E38C37-G41 PolarHBondContact O-N 2.97Å; E38-G41 PolarHBondContact O-N 3.31Å
42V87.2Confident90.8Very high36 Ų3662.2 Ų62.222%0.21832%0.322CS..  trans-85120.3178.3171.20000111.1I10 C37 V48I10-V42 HydrophobicContact CD1-CB 3.53Å; I10-V42 HydrophobicContact CD1-CG1 4.13Å; I10-V42 HydrophobicContact CD1-CG2 3.13Å; I10-V42 HydrophobicContact CG1-CB 4.42Å; I10-V42 HydrophobicContact CG1-CG2 3.49Å; I10-V42 VanDerWaalsContact CG1-CG2 3.49Å; C37-V42 HydrophobicContact CB-CB 4.4Å; C37-V42 PolarHBondContact O-N 3.47Å; V42-V48 HydrophobicContact CG1-CG2 3.98Å
43K86Confident90.9Very high206 Ų20658 Ų5890%0.89630%0.304SS*.SBendtrans-84.3-29.2-178.8-62.2-178.8-179177.20112.9I45K43-I45 PolarHBondContact O-N 2.9Å
44D88.1Confident90.9Very high86 Ų8660 Ų6046%0.4632%0.316SS..  trans-95.680.4-178.3-177.122.9000111A46 S47D44-A46 PolarHBondContact O-N 3.49Å; D44-A46 PolarHBondContact OD1-N 3.24Å; D44-S47 PolarHBondContact O-OG 2.93Å; D44-S47 VanDerWaalsContact O-OG 3.08Å; D44-S47 WeakPolarHBondContact OD2-CB 3.42Å; D44-S47 PolarHBondContact OD2-OG 3.12Å
45I90.5Very high90.9Very high32 Ų3260.2 Ų60.216%0.16433%0.332CS..Hα-helixtrans-67.6-28.2178.3-57.1174.3000110.8V33 E34 C37 K43 S47 V48 I49 V72V33-I45 HydrophobicContact CG1-CG2 4.11Å; E34-I45 HydrophobicContact CG-CD1 4.49Å; C37-I45 HydrophobicContact CB-CD1 4.43Å; C37-I45 HydrophobicContact CB-CG1 3.93Å; K43-I45 PolarHBondContact O-N 2.9Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.35Å; I45-V48 PolarHBondContact O-N 3.45Å; I45-V48 VanDerWaalsContact O-N 3.13Å; I45-I49 HydrophobicContact CG2-CD1 4.15Å; I45-I49 HydrophobicContact CG2-CG1 4.28Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 3.25Å; I45-V72 HydrophobicContact CB-CG2 3.96Å; I45-V72 HydrophobicContact CG2-CG2 3.98Å
46A90.5Very high90.9Very high4 Ų457.6 Ų57.63%0.03333%0.328CS..Hα-helixtrans-65.2-31.8-175.900000112.7D44 P50 V72D44-A46 PolarHBondContact O-N 3.49Å; D44-A46 PolarHBondContact OD1-N 3.24Å; A46-P50 WeakPolarHBondContact O-CD 3.48Å; A46-V72 HydrophobicContact CB-CB 4.2Å
47S88.1Confident91Very high58 Ų5856.9 Ų56.941%0.40632%0.324SS..Hα-helixtrans-79.6-22.6174.457.90000114D44 I45 P50 L51D44-S47 PolarHBondContact O-OG 2.93Å; D44-S47 VanDerWaalsContact O-OG 3.08Å; D44-S47 WeakPolarHBondContact OD2-CB 3.42Å; D44-S47 PolarHBondContact OD2-OG 3.12Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.35Å; S47-P50 WeakPolarHBondContact O-CG 3.41Å; S47-L51 WeakPolarHBondContact O-CG 3.44Å
48V91.5Very high91.2Very high12 Ų1260.6 Ų60.67%0.07334%0.34CS..Hα-helixtrans-78.1-42179.4178.70000111.9I15 V33 V42 I45 L51I15-V48 HydrophobicContact CD1-CG1 3.39Å; V33-V48 HydrophobicContact CG1-CG1 4.44Å; V42-V48 HydrophobicContact CG1-CG2 3.98Å; I45-V48 PolarHBondContact O-N 3.45Å; I45-V48 VanDerWaalsContact O-N 3.13Å; V48-L51 WeakPolarHBondContact O-CB 3.3Å; V48-L51 PolarHBondContact O-N 3.28Å; V48-L51 VanDerWaalsContact O-N 3.16Å
49I92.6Very high91.4Very high1 Ų156 Ų561%0.00533%0.327CS..Hα-helixtrans-47.6-57.9-179.5-70.9168.7000112.4W29 L30 V33 I45 L51 R52 L53 V72 V75 L79W29-I49 HydrophobicContact CH2-CB 4.49Å; W29-I49 HydrophobicContact CH2-CG2 4.02Å; W29-I49 HydrophobicContact CZ3-CG2 4.15Å; L30-I49 HydrophobicContact CD2-CD1 4.31Å; V33-I49 HydrophobicContact CG1-CG1 4.18Å; I45-I49 HydrophobicContact CG2-CD1 4.15Å; I45-I49 HydrophobicContact CG2-CG1 4.28Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 3.25Å; I49-L51 PolarHBondContact O-N 3.41Å; I49-L51 VanDerWaalsContact O-N 3.13Å; I49-R52 PolarHBondContact O-N 2.92Å; I49-R52 VanDerWaalsContact O-N 3.14Å; I49-L53 HydrophobicContact CG2-CD1 3.81Å; I49-L53 HydrophobicContact CG2-CD2 4.4Å; I49-L53 HydrophobicContact CG2-CG 4.04Å; I49-L53 WeakPolarHBondContact O-CG 3.37Å; I49-L53 PolarHBondContact O-N 2.99Å; I49-V72 HydrophobicContact CD1-CG2 4.36Å; I49-V75 HydrophobicContact CD1-CG1 3.99Å; I49-V75 HydrophobicContact CG2-CG1 3.9Å; I49-L79 HydrophobicContact CG2-CD1 3.83Å
50P92.9Very high91.5Very high22 Ų2251.1 Ų51.114%0.14330%0.302CS..Hα-helixtrans-63.8-22.1-174.425.4-36.2000114.1A46 S47 R52 L53 F58 Y61A46-P50 WeakPolarHBondContact O-CD 3.48Å; S47-P50 WeakPolarHBondContact O-CG 3.41Å; P50-R52 PolarHBondContact O-N 3.49Å; P50-L53 PolarHBondContact O-N 2.89Å; P50-F58 HydrophobicContact CB-CE2 4.27Å; P50-Y61 HydrophobicContact CB-CD1 4Å; P50-Y61 HydrophobicContact CB-CD2 4.45Å; P50-Y61 HydrophobicContact CB-CE1 3.61Å; P50-Y61 HydrophobicContact CB-CE2 4.09Å; P50-Y61 HydrophobicContact CB-CG 4.41Å; P50-Y61 HydrophobicContact CG-CE1 4.22Å; P50-Y61 HydrophobicContact CG-CE2 4.23Å
51L92.4Very high91.8Very high112 Ų11247.4 Ų47.459%0.58629%0.288SS*.Hα-helixtrans-66.1-21.5178.6-60.1176000112.9V12 S47 V48 I49V12-L51 HydrophobicContact CG1-CB 3.99Å; V12-L51 HydrophobicContact CG1-CD1 4.19Å; V12-L51 HydrophobicContact CG2-CD1 4.3Å; S47-L51 WeakPolarHBondContact O-CG 3.44Å; V48-L51 WeakPolarHBondContact O-CB 3.3Å; V48-L51 PolarHBondContact O-N 3.28Å; V48-L51 VanDerWaalsContact O-N 3.16Å; I49-L51 PolarHBondContact O-N 3.41Å; I49-L51 VanDerWaalsContact O-N 3.13Å
52R94.1Very high92.1Very high39 Ų3948.8 Ų48.815%0.14728%0.281CS..Hα-helixtrans-1225.4-176.2-56.2-60-73.9152.5-4.3113.3V12 I15 E17 F18 W29 I49 P50V12-R52 HydrophobicContact CG1-CG 3.5Å; V12-R52 WeakPolarHBondContact O-CD 3.26Å; V12-R52 PolarHBondContact O-NE 2.78Å; V12-R52 VanDerWaalsContact O-NE 3.15Å; I15-R52 HydrophobicContact CB-CG 3.94Å; I15-R52 HydrophobicContact CG2-CB 3.78Å; I15-R52 HydrophobicContact CG2-CG 3.73Å; I15-R52 VanDerWaalsContact O-CZ 3.22Å; I15-R52 PolarHBondContact O-NE 3.27Å; I15-R52 PolarHBondContact O-NH2 3.49Å; E17-R52 CarbonylContact C-O 3.58Å; E17-R52 VanDerWaalsContact CA-O 3.32Å; E17-R52 WeakPolarHBondContact CA-O 3.4Å; E17-R52 IonicContact OE1-CZ 3.05Å; E17-R52 IonicContact OE1-NH1 3.43Å; E17-R52 PolarHBondContact OE1-NH1 3.27Å; E17-R52 IonicContact OE1-NH2 3Å; F18-R52 PolarHBondContact N-O 3.06Å; W29-R52 HydrophobicContact CZ2-CB 3.97Å; I49-R52 PolarHBondContact O-N 2.92Å; I49-R52 VanDerWaalsContact O-N 3.14Å; P50-R52 PolarHBondContact O-N 3.49Å
53L94.7Very high92.4Very high9 Ų954.6 Ų54.65%0.04731%0.306CS..BIsolated β-bridgetrans-80.6135.4164.9-64.5-177.6000109.4F18 W29 I49 P50 A57 F58 Y61 L79F18-L53 HydrophobicContact CB-CD2 4.28Å; F18-L53 HydrophobicContact CD1-CD2 3.95Å; F18-L53 WeakPolarHBondContact O-CA 3.35Å; W29-L53 HydrophobicContact CH2-CD2 3.57Å; W29-L53 HydrophobicContact CH2-CG 4.23Å; W29-L53 HydrophobicContact CZ2-CD2 4.12Å; W29-L53 HydrophobicContact CZ3-CD2 3.94Å; I49-L53 HydrophobicContact CG2-CD1 3.81Å; I49-L53 HydrophobicContact CG2-CD2 4.4Å; I49-L53 HydrophobicContact CG2-CG 4.04Å; I49-L53 WeakPolarHBondContact O-CG 3.37Å; I49-L53 PolarHBondContact O-N 2.99Å; P50-L53 PolarHBondContact O-N 2.89Å; L53-A57 HydrophobicContact CD2-CB 3.98Å; L53-F58 HydrophobicContact CB-CB 3.98Å; L53-F58 HydrophobicContact CB-CD2 4.07Å; L53-Y61 HydrophobicContact CD1-CD2 4.31Å; L53-Y61 HydrophobicContact CD1-CG 4.13Å; L53-L79 HydrophobicContact CD1-CD1 4.16Å; L53-L79 HydrophobicContact CD1-CD2 4.06Å; L53-L79 HydrophobicContact CD2-CD1 4.37Å; L53-L79 HydrophobicContact CD2-CD2 4.5Å
54T94.1Very high92.8Very high45 Ų4545.6 Ų45.628%0.27627%0.267SS..  trans-130.2174174.359.50000109.5E17 F18 D19 G56 A57 F58E17-T54 HydrophobicContact CB-CG2 4.15Å; E17-T54 HydrophobicContact CG-CG2 4.19Å; F18-T54 PolarHBondContact O-N 3.47Å; D19-T54 WeakPolarHBondContact CA-O 3.46Å; D19-T54 WeakPolarHBondContact CA-OG1 3.25Å; D19-T54 WeakPolarHBondContact CB-OG1 3.4Å; T54-G56 PolarHBondContact O-N 2.91Å; T54-A57 PolarHBondContact O-N 3.18Å; T54-F58 PolarHBondContact O-N 3.37Å; T54-F58 VanDerWaalsContact O-N 3.11Å
55G93.1Very high93Very high57 Ų5745 Ų4559%0.58827%0.269SS*.Hα-helixtrans50.4-131171.500000115.1A57 F58 A59G55-A57 VanDerWaalsContact C-N 3.32Å; G55-A57 PolarHBondContact O-N 3.26Å; G55-F58 PolarHBondContact O-N 3.46Å; G55-A59 PolarHBondContact O-N 3.03Å
56G92.2Very high93.1Very high40 Ų4048.4 Ų48.441%0.41229%0.287SS..Hα-helixtrans-65.4-34.1-178.100000113D19 T54 A59 V60D19-G56 PolarHBondContact O-N 3.48Å; T54-G56 PolarHBondContact O-N 2.91Å; G56-A59 WeakPolarHBondContact O-CB 3.38Å; G56-A59 PolarHBondContact O-N 3.04Å; G56-V60 WeakPolarHBondContact O-CG2 3.44Å; G56-V60 PolarHBondContact O-N 3.27Å
57A94.1Very high93.1Very high0 Ų054.3 Ų54.30%032%0.318CS..Hα-helixtrans-65-41.4178.700000112.8F18 D19 L53 T54 G55 A59 V60 Y61 F83F18-A57 HydrophobicContact CD1-CB 3.49Å; F18-A57 VanDerWaalsContact CD1-CB 3.49Å; F18-A57 HydrophobicContact CE1-CB 3.73Å; F18-A57 WeakPolarHBondContact O-CB 3.41Å; D19-A57 PolarHBondContact O-N 3.29Å; L53-A57 HydrophobicContact CD2-CB 3.98Å; T54-A57 PolarHBondContact O-N 3.18Å; G55-A57 VanDerWaalsContact C-N 3.32Å; G55-A57 PolarHBondContact O-N 3.26Å; A57-A59 VanDerWaalsContact C-N 3.34Å; A57-V60 PolarHBondContact O-N 3.03Å; A57-Y61 PolarHBondContact O-N 2.98Å; A57-Y61 VanDerWaalsContact O-N 3.13Å; A57-F83 HydrophobicContact CB-CE2 3.85Å; A57-F83 HydrophobicContact CB-CZ 3.91Å
58F95Very high93.3Very high78 Ų7854 Ų5434%0.34231%0.312SS..Hα-helixtrans-66.9-36.9173.8-170.6-117.4000112.1P50 L53 T54 G55 V60 Y61 L62P50-F58 HydrophobicContact CB-CE2 4.27Å; L53-F58 HydrophobicContact CB-CB 3.98Å; L53-F58 HydrophobicContact CB-CD2 4.07Å; T54-F58 PolarHBondContact O-N 3.37Å; T54-F58 VanDerWaalsContact O-N 3.11Å; G55-F58 PolarHBondContact O-N 3.46Å; F58-V60 VanDerWaalsContact C-N 3.33Å; F58-V60 PolarHBondContact O-N 3.18Å; F58-Y61 HydrophobicContact CD2-CD1 4.31Å; F58-Y61 HydrophobicContact CE2-CD1 4.09Å; F58-Y61 WeakPolarHBondContact O-CB 3Å; F58-Y61 PolarHBondContact O-N 2.93Å; F58-L62 HydrophobicContact CD1-CD1 3.94Å; F58-L62 HydrophobicContact CD1-CG 4.3Å; F58-L62 HydrophobicContact CE1-CD1 3.61Å; F58-L62 HydrophobicContact CE1-CD2 4.28Å; F58-L62 HydrophobicContact CE1-CG 3.99Å; F58-L62 HydrophobicContact CZ-CD1 4.18Å; F58-L62 HydrophobicContact CZ-CD2 4Å; F58-L62 HydrophobicContact CZ-CG 4.11Å; F58-L62 WeakPolarHBondContact O-CG 3.25Å; F58-L62 PolarHBondContact O-N 3.17Å
59A94.9Very high93.4Very high47 Ų4756.1 Ų56.139%0.38832%0.319SS..Hα-helixtrans-61.6-39.8175.800000112.4G55 G56 A57 L62 Q63G55-A59 PolarHBondContact O-N 3.03Å; G56-A59 WeakPolarHBondContact O-CB 3.38Å; G56-A59 PolarHBondContact O-N 3.04Å; A57-A59 VanDerWaalsContact C-N 3.34Å; A59-L62 PolarHBondContact O-N 3.09Å; A59-Q63 WeakPolarHBondContact O-CG 3.24Å; A59-Q63 PolarHBondContact O-N 2.62Å
60V94.1Very high93.2Very high27 Ų2763.5 Ų63.516%0.16435%0.351CS..Hα-helixtrans-64.4-43.7173.91700000111.2G56 A57 F58 L62 Q63 T78 L79 A82 F83G56-V60 WeakPolarHBondContact O-CG2 3.44Å; G56-V60 PolarHBondContact O-N 3.27Å; A57-V60 PolarHBondContact O-N 3.03Å; F58-V60 VanDerWaalsContact C-N 3.33Å; F58-V60 PolarHBondContact O-N 3.18Å; V60-L62 VanDerWaalsContact C-N 3.28Å; V60-L62 PolarHBondContact O-N 3.24Å; V60-Q63 WeakPolarHBondContact O-CB 3.43Å; V60-Q63 PolarHBondContact O-N 3Å; V60-T78 HydrophobicContact CG1-CG2 3.74Å; V60-L79 HydrophobicContact CG1-CD2 4.49Å; V60-A82 HydrophobicContact CG1-CB 3.81Å; V60-A82 HydrophobicContact CG2-CB 4.02Å; V60-F83 HydrophobicContact CB-CE2 3.97Å; V60-F83 HydrophobicContact CB-CZ 4.24Å; V60-F83 HydrophobicContact CG1-CE2 4.29Å; V60-F83 HydrophobicContact CG2-CE2 3.81Å; V60-F83 HydrophobicContact CG2-CZ 3.66Å
61Y94Very high93.2Very high28 Ų2866 Ų6611%0.1136%0.362CS..Hα-helixtrans-58.5-40.8175.5173.7-92.8000112.2P50 L53 A57 F58 Q63 L64 R69 V75P50-Y61 HydrophobicContact CB-CD1 4Å; P50-Y61 HydrophobicContact CB-CD2 4.45Å; P50-Y61 HydrophobicContact CB-CE1 3.61Å; P50-Y61 HydrophobicContact CB-CE2 4.09Å; P50-Y61 HydrophobicContact CB-CG 4.41Å; P50-Y61 HydrophobicContact CG-CE1 4.22Å; P50-Y61 HydrophobicContact CG-CE2 4.23Å; L53-Y61 HydrophobicContact CD1-CD2 4.31Å; L53-Y61 HydrophobicContact CD1-CG 4.13Å; A57-Y61 PolarHBondContact O-N 2.98Å; A57-Y61 VanDerWaalsContact O-N 3.13Å; F58-Y61 HydrophobicContact CD2-CD1 4.31Å; F58-Y61 HydrophobicContact CE2-CD1 4.09Å; F58-Y61 WeakPolarHBondContact O-CB 3Å; F58-Y61 PolarHBondContact O-N 2.93Å; Y61-Q63 PolarHBondContact O-N 3.05Å; Y61-L64 HydrophobicContact CD2-CD1 4.4Å; Y61-L64 WeakPolarHBondContact O-CB 3.39Å; Y61-L64 PolarHBondContact O-N 3.16Å; Y61-L64 VanDerWaalsContact O-N 3.14Å; Y61-R69 HydrophobicContact CE1-CG 4.36Å; Y61-R69 HydrophobicContact CE2-CB 4.39Å; Y61-R69 HydrophobicContact CE2-CG 4.1Å; Y61-R69 PolarHBondContact O-NE 3.02Å; Y61-V75 HydrophobicContact CD2-CG1 4.01Å; Y61-V75 HydrophobicContact CD2-CG2 4.49Å; Y61-V75 HydrophobicContact CE2-CG1 4.16Å; Y61-V75 HydrophobicContact CE2-CG2 4.08Å
62L94.5Very high93.2Very high86 Ų8662.3 Ų62.345%0.4535%0.345SS..Hα-helixtrans-67.4-16.8177.5-71179.6000113.8F58 A59 V60 L64 R69F58-L62 HydrophobicContact CD1-CD1 3.94Å; F58-L62 HydrophobicContact CD1-CG 4.3Å; F58-L62 HydrophobicContact CE1-CD1 3.61Å; F58-L62 HydrophobicContact CE1-CD2 4.28Å; F58-L62 HydrophobicContact CE1-CG 3.99Å; F58-L62 HydrophobicContact CZ-CD1 4.18Å; F58-L62 HydrophobicContact CZ-CD2 4Å; F58-L62 HydrophobicContact CZ-CG 4.11Å; F58-L62 WeakPolarHBondContact O-CG 3.25Å; F58-L62 PolarHBondContact O-N 3.17Å; A59-L62 PolarHBondContact O-N 3.09Å; V60-L62 VanDerWaalsContact C-N 3.28Å; V60-L62 PolarHBondContact O-N 3.24Å; L62-L64 VanDerWaalsContact C-N 3.29Å; L62-R69 VanDerWaalsContact C-NH2 3.32Å; L62-R69 PolarHBondContact O-NH2 3.42Å
63Q93.6Very high93.2Very high158 Ų15865.7 Ų65.774%0.73836%0.362SS*.THydrogen-bonded Turntrans-80-12.2174.7-67.8174.215.800113A59 V60 Y61A59-Q63 WeakPolarHBondContact O-CG 3.24Å; A59-Q63 PolarHBondContact O-N 2.62Å; V60-Q63 WeakPolarHBondContact O-CB 3.43Å; V60-Q63 PolarHBondContact O-N 3Å; Y61-Q63 PolarHBondContact O-N 3.05Å
64L93.7Very high93.1Very high16 Ų1669.3 Ų69.38%0.08438%0.378CS..SBendtrans-72.3140.5177.2-72.8164.3000111.9Y61 L62 D68 R69 V75 T78Y61-L64 HydrophobicContact CD2-CD1 4.4Å; Y61-L64 WeakPolarHBondContact O-CB 3.39Å; Y61-L64 PolarHBondContact O-N 3.16Å; Y61-L64 VanDerWaalsContact O-N 3.14Å; L62-L64 VanDerWaalsContact C-N 3.29Å; L64-D68 HydrophobicContact CB-CB 4.45Å; L64-D68 HydrophobicContact CD2-CB 4.17Å; L64-R69 HydrophobicContact CB-CG 3.85Å; L64-R69 PolarHBondContact O-NE 3.22Å; L64-R69 PolarHBondContact O-NH2 3.18Å; L64-V75 HydrophobicContact CD1-CG2 4.2Å; L64-T78 HydrophobicContact CD1-CG2 4.04Å; L64-T78 HydrophobicContact CD2-CG2 3.82Å; L64-T78 WeakPolarHBondContact CD2-OG1 3.26Å; L64-T78 HydrophobicContact CG-CG2 3.98Å
65P93.4Very high93.1Very high75 Ų7567.2 Ų67.249%0.48737%0.365SS..  trans-55.8149.1166.8-22.933000112D67 D68 R69P65-D67 PolarHBondContact O-N 3.03Å; P65-D67 VanDerWaalsContact O-N 3.15Å; P65-D68 PolarHBondContact O-N 3.24Å; P65-R69 PolarHBondContact O-N 3.31Å
66D91Very high93.2Very high103 Ų10365.6 Ų65.655%0.55134%0.342SS*.Hα-helixtrans-60.4-28.2-178.6-71.1-32.3000113.5R69D66-R69 IonicContact OD1-CZ 3.55Å; D66-R69 IonicContact OD1-NH1 2.77Å; D66-R69 PolarHBondContact OD1-NH1 3.32Å
67D91.4Very high93.3Very high128 Ų12869.6 Ų69.668%0.68435%0.35SS*.Hα-helixtrans-70-38.4174.4-68.7-29.4000112P65P65-D67 PolarHBondContact O-N 3.03Å; P65-D67 VanDerWaalsContact O-N 3.15Å
68D92.7Very high93.3Very high51 Ų5171.6 Ų71.627%0.27336%0.362SS..Hα-helixtrans-74-30.9178.5-75.9-23000111.9L64 P65 K70 N71 K74L64-D68 HydrophobicContact CB-CB 4.45Å; L64-D68 HydrophobicContact CD2-CB 4.17Å; P65-D68 PolarHBondContact O-N 3.24Å; D68-K70 PolarHBondContact O-N 3.33Å; D68-N71 PolarHBondContact O-N 3.15Å; D68-K74 HydrophobicContact CB-CB 4.13Å
69R92.2Very high93.2Very high57 Ų5767.9 Ų67.922%0.21535%0.346CS..Hα-helixtrans-63-24.6177-71.3-179.9-171.8161.8-2.1113.7Y61 L62 L64 P65 D66 N71Y61-R69 HydrophobicContact CE1-CG 4.36Å; Y61-R69 HydrophobicContact CE2-CB 4.39Å; Y61-R69 HydrophobicContact CE2-CG 4.1Å; Y61-R69 PolarHBondContact O-NE 3.02Å; L62-R69 VanDerWaalsContact C-NH2 3.32Å; L62-R69 PolarHBondContact O-NH2 3.42Å; L64-R69 HydrophobicContact CB-CG 3.85Å; L64-R69 PolarHBondContact O-NE 3.22Å; L64-R69 PolarHBondContact O-NH2 3.18Å; P65-R69 PolarHBondContact O-N 3.31Å; D66-R69 IonicContact OD1-CZ 3.55Å; D66-R69 IonicContact OD1-NH1 2.77Å; D66-R69 PolarHBondContact OD1-NH1 3.32Å; R69-N71 VanDerWaalsContact C-N 3.32Å
70K90.2Very high93.1Very high156 Ų15668.4 Ų68.468%0.67834%0.341SS*.THydrogen-bonded Turntrans-81.2-15.8175-63.5170.2-171.2161.90112.4D68D68-K70 PolarHBondContact O-N 3.33Å
71N91.3Very high92.9Very high73 Ų7372.3 Ų72.339%0.3937%0.37SS..  trans-99.5106.9-178.6-172.9-25.7000110.2D68 R69 E73 K74 V75D68-N71 PolarHBondContact O-N 3.15Å; R69-N71 VanDerWaalsContact C-N 3.32Å; N71-E73 PolarHBondContact O-N 3.46Å; N71-E73 PolarHBondContact OD1-N 3.44Å; N71-K74 HydrophobicContact CB-CB 4.02Å; N71-K74 HydrophobicContact CB-CG 3.9Å; N71-K74 WeakPolarHBondContact O-CB 3.43Å; N71-K74 PolarHBondContact O-N 2.92Å; N71-K74 VanDerWaalsContact O-N 3.07Å; N71-K74 PolarHBondContact OD1-N 3.43Å; N71-V75 WeakPolarHBondContact O-CG2 3.24Å; N71-V75 PolarHBondContact O-N 2.89Å
72V92.3Very high92.8Very high36 Ų3673.4 Ų73.422%0.21839%0.385CS..Hα-helixtrans-54-39.1-179.1650000112.8I45 A46 I49 V75 K76I45-V72 HydrophobicContact CB-CG2 3.96Å; I45-V72 HydrophobicContact CG2-CG2 3.98Å; A46-V72 HydrophobicContact CB-CB 4.2Å; I49-V72 HydrophobicContact CD1-CG2 4.36Å; V72-V75 PolarHBondContact O-N 3.18Å; V72-K76 HydrophobicContact CG2-CD 4.24Å; V72-K76 HydrophobicContact CG2-CG 4.43Å; V72-K76 WeakPolarHBondContact O-CB 3.46Å; V72-K76 VanDerWaalsContact O-CG 3.28Å; V72-K76 WeakPolarHBondContact O-CG 3.2Å; V72-K76 PolarHBondContact O-N 2.94Å
73E94Very high92.7Very high110 Ų11071.4 Ų71.451%0.51437%0.372SS..Hα-helixtrans-70.7-35.2-178.2-63.6-53.6128.900111.5N71 K76 Q77N71-E73 PolarHBondContact O-N 3.46Å; N71-E73 PolarHBondContact OD1-N 3.44Å; E73-K76 IonicContact OE1-NZ 3.17Å; E73-K76 PolarHBondContact OE1-NZ 3.18Å; E73-Q77 VanDerWaalsContact O-CB 3.23Å; E73-Q77 WeakPolarHBondContact O-CB 3.29Å; E73-Q77 PolarHBondContact O-N 3.24Å
74K93.9Very high92.4Very high85 Ų8566.7 Ų66.737%0.3736%0.361SS..Hα-helixtrans-67.8-43.5173.3-69.2-68.4-172.4178.20111.7D68 N71 Q77 T78D68-K74 HydrophobicContact CB-CB 4.13Å; N71-K74 HydrophobicContact CB-CB 4.02Å; N71-K74 HydrophobicContact CB-CG 3.9Å; N71-K74 WeakPolarHBondContact O-CB 3.43Å; N71-K74 PolarHBondContact O-N 2.92Å; N71-K74 VanDerWaalsContact O-N 3.07Å; N71-K74 PolarHBondContact OD1-N 3.43Å; K74-Q77 PolarHBondContact O-N 3.17Å; K74-T78 WeakPolarHBondContact O-CB 3.42Å; K74-T78 PolarHBondContact O-N 2.92Å; K74-T78 PolarHBondContact O-OG1 3.4Å
75V94Very high91.8Very high0 Ų068.1 Ų68.10%037%0.374CS..Hα-helixtrans-60.5-48.8175.8175.40000110.4I49 Y61 L64 N71 V72 T78 L79I49-V75 HydrophobicContact CD1-CG1 3.99Å; I49-V75 HydrophobicContact CG2-CG1 3.9Å; Y61-V75 HydrophobicContact CD2-CG1 4.01Å; Y61-V75 HydrophobicContact CD2-CG2 4.49Å; Y61-V75 HydrophobicContact CE2-CG1 4.16Å; Y61-V75 HydrophobicContact CE2-CG2 4.08Å; L64-V75 HydrophobicContact CD1-CG2 4.2Å; N71-V75 WeakPolarHBondContact O-CG2 3.24Å; N71-V75 PolarHBondContact O-N 2.89Å; V72-V75 PolarHBondContact O-N 3.18Å; V75-T78 PolarHBondContact O-N 2.65Å; V75-L79 HydrophobicContact CG1-CD1 3.95Å; V75-L79 WeakPolarHBondContact O-CG 3.38Å; V75-L79 PolarHBondContact O-N 2.96Å
76K94.5Very high91.5Very high24 Ų2468.6 Ų68.610%0.10437%0.373CS..Hα-helixtrans-57.7-50.2175.8-74.6173.9-176.6169.60111.6L30 E34 V72 E73 T78 L79 L80L30-K76 HydrophobicContact CD1-CB 4.37Å; L30-K76 HydrophobicContact CD1-CG 4.2Å; L30-K76 HydrophobicContact CD2-CG 4.1Å; E34-K76 WeakPolarHBondContact OE1-CE 3.41Å; E34-K76 IonicContact OE1-NZ 2.74Å; E34-K76 PolarHBondContact OE1-NZ 3.36Å; V72-K76 HydrophobicContact CG2-CD 4.24Å; V72-K76 HydrophobicContact CG2-CG 4.43Å; V72-K76 WeakPolarHBondContact O-CB 3.46Å; V72-K76 VanDerWaalsContact O-CG 3.28Å; V72-K76 WeakPolarHBondContact O-CG 3.2Å; V72-K76 PolarHBondContact O-N 2.94Å; E73-K76 IonicContact OE1-NZ 3.17Å; E73-K76 PolarHBondContact OE1-NZ 3.18Å; K76-T78 VanDerWaalsContact C-N 3.31Å; K76-T78 PolarHBondContact O-N 2.88Å; K76-L79 PolarHBondContact O-N 3.24Å; K76-L80 WeakPolarHBondContact O-CB 3.14Å; K76-L80 VanDerWaalsContact O-CG 3.23Å; K76-L80 WeakPolarHBondContact O-CG 3.37Å; K76-L80 PolarHBondContact O-N 3.45Å
77Q94.1Very high91.4Very high124 Ų12467.2 Ų67.258%0.57937%0.37SS*.Hα-helixtrans-59.9-42-178.4-173.8177.97.800111.8E73 K74 S81E73-Q77 VanDerWaalsContact O-CB 3.23Å; E73-Q77 WeakPolarHBondContact O-CB 3.29Å; E73-Q77 PolarHBondContact O-N 3.24Å; K74-Q77 PolarHBondContact O-N 3.17Å; Q77-S81 VanDerWaalsContact O-CB 3.28Å; Q77-S81 WeakPolarHBondContact O-CB 3.48Å; Q77-S81 PolarHBondContact O-N 2.74Å
78T94.3Very high91.3Very high42 Ų4268.3 Ų68.326%0.25837%0.369SS..Hα-helixtrans-65.8-45.4177.5-60.80000111.8V60 L64 K74 V75 K76 S81 A82V60-T78 HydrophobicContact CG1-CG2 3.74Å; L64-T78 HydrophobicContact CD1-CG2 4.04Å; L64-T78 HydrophobicContact CD2-CG2 3.82Å; L64-T78 WeakPolarHBondContact CD2-OG1 3.26Å; L64-T78 HydrophobicContact CG-CG2 3.98Å; K74-T78 WeakPolarHBondContact O-CB 3.42Å; K74-T78 PolarHBondContact O-N 2.92Å; K74-T78 PolarHBondContact O-OG1 3.4Å; V75-T78 PolarHBondContact O-N 2.65Å; K76-T78 VanDerWaalsContact C-N 3.31Å; K76-T78 PolarHBondContact O-N 2.88Å; T78-S81 PolarHBondContact O-N 3.3Å; T78-A82 WeakPolarHBondContact O-CB 3.47Å; T78-A82 PolarHBondContact O-N 2.9Å
79L94.1Very high91.2Very high0 Ų069.3 Ų69.30%038%0.376CS..Hα-helixtrans-64.9-42.1177.8-69.1172.8000111.8I26 I49 L53 V60 V75 K76 A82 F83I26-L79 HydrophobicContact CD1-CB 4.04Å; I26-L79 HydrophobicContact CD1-CD1 4.49Å; I26-L79 HydrophobicContact CG1-CB 4.21Å; I49-L79 HydrophobicContact CG2-CD1 3.83Å; L53-L79 HydrophobicContact CD1-CD1 4.16Å; L53-L79 HydrophobicContact CD1-CD2 4.06Å; L53-L79 HydrophobicContact CD2-CD1 4.37Å; L53-L79 HydrophobicContact CD2-CD2 4.5Å; V60-L79 HydrophobicContact CG1-CD2 4.49Å; V75-L79 HydrophobicContact CG1-CD1 3.95Å; V75-L79 WeakPolarHBondContact O-CG 3.38Å; V75-L79 PolarHBondContact O-N 2.96Å; K76-L79 PolarHBondContact O-N 3.24Å; L79-A82 PolarHBondContact O-N 3.41Å; L79-F83 HydrophobicContact CD2-CD2 4.26Å; L79-F83 HydrophobicContact CD2-CE2 4.09Å; L79-F83 WeakPolarHBondContact O-CB 3.06Å; L79-F83 WeakPolarHBondContact O-CD2 3.31Å; L79-F83 PolarHBondContact O-N 3.29Å
80L91.8Very high91.2Very high58 Ų5866.6 Ų66.630%0.30437%0.366SS..Hα-helixtrans-61.5-45173.2-70.6171.3000110.7I26 M27 L30 K76 A82 A84I26-L80 HydrophobicContact CG1-CD2 4.26Å; I26-L80 HydrophobicContact CG2-CD2 3.92Å; M27-L80 HydrophobicContact CG-CD2 3.58Å; L30-L80 HydrophobicContact CD1-CD1 4.47Å; L30-L80 HydrophobicContact CD1-CD2 4.01Å; L30-L80 HydrophobicContact CD1-CG 4.02Å; K76-L80 WeakPolarHBondContact O-CB 3.14Å; K76-L80 VanDerWaalsContact O-CG 3.23Å; K76-L80 WeakPolarHBondContact O-CG 3.37Å; K76-L80 PolarHBondContact O-N 3.45Å; L80-A82 VanDerWaalsContact C-N 3.25Å; L80-A82 PolarHBondContact O-N 3.21Å; L80-A84 WeakPolarHBondContact O-CA 3.43Å; L80-A84 WeakPolarHBondContact O-CB 3.49Å; L80-A84 PolarHBondContact O-N 2.85Å
81S90.8Very high91.4Very high108 Ų10865 Ų6576%0.75536%0.356SS*.Hα-helixtrans-62.9-31.3178.2-1750000113.2Q77 T78Q77-S81 VanDerWaalsContact O-CB 3.28Å; Q77-S81 WeakPolarHBondContact O-CB 3.48Å; Q77-S81 PolarHBondContact O-N 2.74Å; T78-S81 PolarHBondContact O-N 3.3Å
82A92Very high91.5Very high51 Ų5167.1 Ų67.142%0.42136%0.364SS..Hα-helixtrans-87.7-33.4-177.600000113.3V60 T78 L79 L80V60-A82 HydrophobicContact CG1-CB 3.81Å; V60-A82 HydrophobicContact CG2-CB 4.02Å; T78-A82 WeakPolarHBondContact O-CB 3.47Å; T78-A82 PolarHBondContact O-N 2.9Å; L79-A82 PolarHBondContact O-N 3.41Å; L80-A82 VanDerWaalsContact C-N 3.25Å; L80-A82 PolarHBondContact O-N 3.21Å
83F92Very high91.6Very high45 Ų4569.8 Ų69.820%0.19737%0.374CS..Hα-helixtrans-123.72.8-170-58.3-72.5000114.6F18 I26 A57 V60 L79 A85F18-F83 HydrophobicContact CE1-CB 4.29Å; F18-F83 HydrophobicContact CE1-CD1 4.5Å; F18-F83 HydrophobicContact CE1-CD2 4.01Å; F18-F83 AromaticContact CE1-CG 4Å; F18-F83 HydrophobicContact CE1-CG 4Å; F18-F83 HydrophobicContact CZ-CB 4.03Å; F18-F83 HydrophobicContact CZ-CG 4.16Å; I26-F83 HydrophobicContact CB-CB 4.14Å; I26-F83 HydrophobicContact CG2-CB 4.13Å; A57-F83 HydrophobicContact CB-CE2 3.85Å; A57-F83 HydrophobicContact CB-CZ 3.91Å; V60-F83 HydrophobicContact CB-CE2 3.97Å; V60-F83 HydrophobicContact CB-CZ 4.24Å; V60-F83 HydrophobicContact CG1-CE2 4.29Å; V60-F83 HydrophobicContact CG2-CE2 3.81Å; V60-F83 HydrophobicContact CG2-CZ 3.66Å; L79-F83 HydrophobicContact CD2-CD2 4.26Å; L79-F83 HydrophobicContact CD2-CE2 4.09Å; L79-F83 WeakPolarHBondContact O-CB 3.06Å; L79-F83 WeakPolarHBondContact O-CD2 3.31Å; L79-F83 PolarHBondContact O-N 3.29Å; F83-A85 PolarHBondContact O-N 3.48Å
84A86.1Confident91.7Very high59 Ų5965.1 Ų65.149%0.48835%0.352SS..PPolyproline II helixtrans-57.2139173.300000110L80 D86L80-A84 WeakPolarHBondContact O-CA 3.43Å; L80-A84 WeakPolarHBondContact O-CB 3.49Å; L80-A84 PolarHBondContact O-N 2.85Å; A84-D86 PolarHBondContact O-N 3.4Å
85A81.9Confident91.8Very high45 Ų4564.5 Ų64.537%0.37236%0.355SS..PPolyproline II helixtrans-62.7135.7172.500000109F83 P87 L118F83-A85 PolarHBondContact O-N 3.48Å; A85-P87 WeakPolarHBondContact O-CD 3.23Å; A85-L118 HydrophobicContact CB-CD1 4.22Å; A85-L118 HydrophobicContact CB-CD2 4.24Å
86D86.5Confident91.8Very high85 Ų8567.4 Ų67.446%0.45538%0.376SS..PPolyproline II helixtrans-58.9124173.8175.2-89.4000109.8A84 F88 V89 A90A84-D86 PolarHBondContact O-N 3.4Å; D86-F88 PolarHBondContact O-N 2.93Å; D86-F88 WeakPolarHBondContact OD1-CA 3.39Å; D86-F88 WeakPolarHBondContact OD1-CB 3.48Å; D86-F88 PolarHBondContact OD1-N 2.97Å; D86-V89 HydrophobicContact CB-CB 4.05Å; D86-V89 HydrophobicContact CB-CG2 3.85Å; D86-V89 PolarHBondContact O-N 2.95Å; D86-V89 VanDerWaalsContact O-N 3.1Å; D86-V89 PolarHBondContact OD1-N 3.3Å; D86-A90 PolarHBondContact O-N 2.94Å
87P88.8Confident92Very high75 Ų7569.2 Ų69.249%0.48738%0.382SS..Hα-helixtrans-57.8-31.3-177.3-2835.5000113.4A85 Y91 C119A85-P87 WeakPolarHBondContact O-CD 3.23Å; P87-Y91 WeakPolarHBondContact O-CB 3.3Å; P87-Y91 PolarHBondContact O-N 3.43Å; P87-C119 PolarHBondContact O-SG 2.88Å
88F90.7Very high92.1Very high151 Ų15169.6 Ų69.666%0.66238%0.378SS*.Hα-helixtrans-73-41.1177.2173.3-94.7000111.6D86 A90 Y91 H92D86-F88 PolarHBondContact O-N 2.93Å; D86-F88 WeakPolarHBondContact OD1-CA 3.39Å; D86-F88 WeakPolarHBondContact OD1-CB 3.48Å; D86-F88 PolarHBondContact OD1-N 2.97Å; F88-A90 VanDerWaalsContact C-N 3.35Å; F88-Y91 PolarHBondContact O-N 3.32Å; F88-H92 PolarHBondContact O-N 3.48Å
89V90.2Very high92.2Very high72 Ų7268.6 Ų68.644%0.43637%0.371SS..Hα-helixtrans-61.5-43.6171.9175.20000111D86 Y91 H92 Q93D86-V89 HydrophobicContact CB-CB 4.05Å; D86-V89 HydrophobicContact CB-CG2 3.85Å; D86-V89 PolarHBondContact O-N 2.95Å; D86-V89 VanDerWaalsContact O-N 3.1Å; D86-V89 PolarHBondContact OD1-N 3.3Å; V89-Y91 VanDerWaalsContact C-N 3.3Å; V89-Y91 PolarHBondContact O-N 3Å; V89-H92 PolarHBondContact O-N 3.33Å; V89-Q93 WeakPolarHBondContact O-CG 3.29Å; V89-Q93 PolarHBondContact O-N 3Å
90A91.5Very high92.2Very high0 Ų070 Ų700%039%0.386CS..Hα-helixtrans-62.1-38.6176.900000111.7D86 F88 Q93 F94 L118 C119D86-A90 PolarHBondContact O-N 2.94Å; F88-A90 VanDerWaalsContact C-N 3.35Å; A90-Q93 PolarHBondContact O-N 2.77Å; A90-F94 WeakPolarHBondContact O-CB 3.42Å; A90-F94 PolarHBondContact O-N 2.91Å; A90-L118 HydrophobicContact CB-CB 3.72Å; A90-L118 HydrophobicContact CB-CD1 4.08Å; A90-C119 WeakPolarHBondContact CB-SG 3.37Å
91Y94.6Very high92.1Very high121 Ų12173.4 Ų73.448%0.47541%0.414SS..Hα-helixtrans-64.8-45.3174.1176.5-102.4000111.3P87 F88 V89 Q93 F94 V95 C119 I121P87-Y91 WeakPolarHBondContact O-CB 3.3Å; P87-Y91 PolarHBondContact O-N 3.43Å; F88-Y91 PolarHBondContact O-N 3.32Å; V89-Y91 VanDerWaalsContact C-N 3.3Å; V89-Y91 PolarHBondContact O-N 3Å; Y91-Q93 VanDerWaalsContact C-N 3.3Å; Y91-Q93 PolarHBondContact O-N 3.44Å; Y91-F94 WeakPolarHBondContact O-CB 3.42Å; Y91-F94 PolarHBondContact O-N 3.49Å; Y91-F94 VanDerWaalsContact O-N 3.1Å; Y91-V95 HydrophobicContact CD1-CG2 4.29Å; Y91-V95 HydrophobicContact CD2-CG2 4.15Å; Y91-V95 HydrophobicContact CE1-CG2 3.86Å; Y91-V95 HydrophobicContact CE2-CG2 3.71Å; Y91-V95 HydrophobicContact CG-CG2 4.43Å; Y91-V95 WeakPolarHBondContact O-CG2 3.41Å; Y91-V95 PolarHBondContact O-N 3.41Å; Y91-C119 PolarHBondContact N-SG 3.41Å; Y91-I121 HydrophobicContact CD2-CD1 3.97Å; Y91-I121 HydrophobicContact CE2-CD1 4.31Å
92H94.1Very high92.1Very high118 Ų11875.1 Ų75.155%0.54642%0.421SS..Hα-helixtrans-59.4-42.2176.9-175.4-84.1000112F88 V89 S96F88-H92 PolarHBondContact O-N 3.48Å; V89-H92 PolarHBondContact O-N 3.33Å; H92-S96 VanDerWaalsContact O-CB 3.23Å; H92-S96 WeakPolarHBondContact O-CB 3.31Å; H92-S96 PolarHBondContact O-N 2.98Å; H92-S96 VanDerWaalsContact O-N 3.11Å; H92-S96 PolarHBondContact O-OG 3.24Å
93Q93.9Very high92.3Very high92 Ų9274.5 Ų74.543%0.4341%0.409SS..Hα-helixtrans-62.6-43.5173.5-72.8179.8-1000111.6V89 A90 Y91 S96 R97 L115V89-Q93 WeakPolarHBondContact O-CG 3.29Å; V89-Q93 PolarHBondContact O-N 3Å; A90-Q93 PolarHBondContact O-N 2.77Å; Y91-Q93 VanDerWaalsContact C-N 3.3Å; Y91-Q93 PolarHBondContact O-N 3.44Å; Q93-S96 PolarHBondContact O-N 3.03Å; Q93-R97 WeakPolarHBondContact O-CB 3.35Å; Q93-R97 PolarHBondContact O-N 3.11Å; Q93-L115 HydrophobicContact CB-CD1 4.06Å; Q93-L115 HydrophobicContact CB-CD2 3.9Å
94F95.8Very high92.4Very high13 Ų1374.8 Ų74.86%0.05742%0.417CS..Hα-helixtrans-57.4-50.7178.9179.9-99.8000112.1A90 Y91 R97 L112 L115 A116 I121 T126 L127 A130A90-F94 WeakPolarHBondContact O-CB 3.42Å; A90-F94 PolarHBondContact O-N 2.91Å; Y91-F94 WeakPolarHBondContact O-CB 3.42Å; Y91-F94 PolarHBondContact O-N 3.49Å; Y91-F94 VanDerWaalsContact O-N 3.1Å; F94-R97 PolarHBondContact O-N 3.12Å; F94-L112 HydrophobicContact CD2-CD2 3.87Å; F94-L112 HydrophobicContact CE2-CB 4.11Å; F94-L112 HydrophobicContact CE2-CD2 3.88Å; F94-L112 WeakPolarHBondContact CE2-O 3.29Å; F94-L115 HydrophobicContact CB-CB 4.02Å; F94-L115 HydrophobicContact CB-CD1 4.48Å; F94-L115 HydrophobicContact CD2-CB 3.96Å; F94-L115 HydrophobicContact CG-CB 4.49Å; F94-A116 HydrophobicContact CD2-CB 4.19Å; F94-A116 HydrophobicContact CE2-CB 3.78Å; F94-A116 HydrophobicContact CZ-CB 4.39Å; F94-I121 HydrophobicContact CD1-CD1 3.75Å; F94-I121 HydrophobicContact CE1-CD1 3.8Å; F94-I121 HydrophobicContact CG-CD1 4.24Å; F94-I121 HydrophobicContact CZ-CD1 4.33Å; F94-T126 HydrophobicContact CE1-CG2 4.01Å; F94-T126 HydrophobicContact CZ-CG2 3.97Å; F94-L127 HydrophobicContact CE2-CD2 4.24Å; F94-A130 HydrophobicContact CE1-CB 3.6Å; F94-A130 HydrophobicContact CE2-CB 3.96Å; F94-A130 HydrophobicContact CZ-CB 3.23Å
95V95.6Very high92.9Very high72 Ų7272.6 Ų72.644%0.43640%0.397SS..Hα-helixtrans-71.9-32.6-176.9-1720000112.1Y91 R97 R98Y91-V95 HydrophobicContact CD1-CG2 4.29Å; Y91-V95 HydrophobicContact CD2-CG2 4.15Å; Y91-V95 HydrophobicContact CE1-CG2 3.86Å; Y91-V95 HydrophobicContact CE2-CG2 3.71Å; Y91-V95 HydrophobicContact CG-CG2 4.43Å; Y91-V95 WeakPolarHBondContact O-CG2 3.41Å; Y91-V95 PolarHBondContact O-N 3.41Å; V95-R97 VanDerWaalsContact C-N 3.34Å; V95-R98 PolarHBondContact O-NH1 3.02Å
96S95.6Very high93.6Very high61 Ų6173.9 Ų73.943%0.42740%0.398SS..Hα-helixtrans-82-11.4-179.6-56.10000113.4H92 Q93 R98H92-S96 VanDerWaalsContact O-CB 3.23Å; H92-S96 WeakPolarHBondContact O-CB 3.31Å; H92-S96 PolarHBondContact O-N 2.98Å; H92-S96 VanDerWaalsContact O-N 3.11Å; H92-S96 PolarHBondContact O-OG 3.24Å; Q93-S96 PolarHBondContact O-N 3.03Å; S96-R98 PolarHBondContact O-N 2.7Å; S96-R98 PolarHBondContact O-NH1 2.98Å
97R96.7Very high94Very high61 Ų6173.9 Ų73.923%0.2340%0.401CS..  trans-66.3131.7-173.6-162.148.6172.380.98111.1Q93 F94 V95 E103 F108 L112Q93-R97 WeakPolarHBondContact O-CB 3.35Å; Q93-R97 PolarHBondContact O-N 3.11Å; F94-R97 PolarHBondContact O-N 3.12Å; V95-R97 VanDerWaalsContact C-N 3.34Å; R97-E103 IonicContact CZ-OE1 3.4Å; R97-E103 IonicContact CZ-OE2 2.77Å; R97-E103 IonicContact NH1-OE1 3.64Å; R97-E103 IonicContact NH1-OE2 2.69Å; R97-E103 PolarHBondContact NH1-OE2 2.98Å; R97-E103 VanDerWaalsContact NH2-CD 3.28Å; R97-E103 IonicContact NH2-OE1 3.77Å; R97-E103 PolarHBondContact NH2-OE1 2.84Å; R97-E103 IonicContact NH2-OE2 3.46Å; R97-E103 PolarHBondContact NH2-OE2 3.26Å; R97-F108 HydrophobicContact CB-CE2 4.29Å; R97-F108 HydrophobicContact CG-CD2 4.05Å; R97-F108 HydrophobicContact CG-CE2 3.73Å; R97-L112 HydrophobicContact CB-CD2 3.97Å; R97-L112 HydrophobicContact CG-CD2 4.18Å
98R97.5Very high94.5Very high132 Ų13270.3 Ų70.350%0.49838%0.377SS..  trans-127.4143.9174.3-60.7-59.7177.3-95-0.7109.2V95 S96 G100 G134V95-R98 PolarHBondContact O-NH1 3.02Å; S96-R98 PolarHBondContact O-N 2.7Å; S96-R98 PolarHBondContact O-NH1 2.98Å; R98-G100 PolarHBondContact O-N 2.78Å; R98-G134 CarbonylContact C-O 3.6Å; R98-G134 WeakPolarHBondContact CA-O 3.38Å
99L96.7Very high94.8Very high21 Ų2163.1 Ų63.111%0.1135%0.346CS..  trans-57.9123.7175.2178.466.3000109.8E103 F108 G134 L135 L165L99-E103 HydrophobicContact CD1-CB 4Å; L99-E103 HydrophobicContact CD1-CG 3.97Å; L99-F108 HydrophobicContact CB-CD1 4.15Å; L99-F108 HydrophobicContact CB-CE1 4.41Å; L99-F108 HydrophobicContact CB-CG 4.23Å; L99-F108 HydrophobicContact CD1-CB 3.46Å; L99-F108 VanDerWaalsContact CD1-CB 3.46Å; L99-F108 HydrophobicContact CD1-CD1 4.05Å; L99-F108 HydrophobicContact CD1-CG 3.84Å; L99-G134 PolarHBondContact N-O 3.17Å; L99-L135 HydrophobicContact CB-CD2 4.37Å; L99-L135 HydrophobicContact CD2-CD2 3.7Å; L99-L165 HydrophobicContact CD2-CD1 3.66Å
100G93.7Very high95Very high31 Ų3162.2 Ų62.232%0.3235%0.346SS..  trans-67.1152.9175.200000112.1R98 T102 E103R98-G100 PolarHBondContact O-N 2.78Å; G100-T102 PolarHBondContact O-N 3.18Å; G100-E103 PolarHBondContact N-OE2 3.49Å; G100-E103 PolarHBondContact O-N 3.01Å; G100-E103 VanDerWaalsContact O-N 3.16Å
101S90Very high95.2Very high129 Ų12964.6 Ų64.690%0.90236%0.357SS*.THydrogen-bonded Turntrans-63.7-25-178.454.40000114.2
102T91.3Very high95.3Very high144 Ų14458.9 Ų58.988%0.88334%0.335SS*.THydrogen-bonded Turntrans-109.32.2178.155.80000112.8G100G100-T102 PolarHBondContact O-N 3.18Å
103E94.7Very high95.4Very high38 Ų3858.8 Ų58.818%0.17833%0.33CS..  trans-88.6139.6-175.2-177.4178.7-156.200110.7R97 L99 G100 V107 F108R97-E103 IonicContact CZ-OE1 3.4Å; R97-E103 IonicContact CZ-OE2 2.77Å; R97-E103 IonicContact NH1-OE1 3.64Å; R97-E103 IonicContact NH1-OE2 2.69Å; R97-E103 PolarHBondContact NH1-OE2 2.98Å; R97-E103 VanDerWaalsContact NH2-CD 3.28Å; R97-E103 IonicContact NH2-OE1 3.77Å; R97-E103 PolarHBondContact NH2-OE1 2.84Å; R97-E103 IonicContact NH2-OE2 3.46Å; R97-E103 PolarHBondContact NH2-OE2 3.26Å; L99-E103 HydrophobicContact CD1-CB 4Å; L99-E103 HydrophobicContact CD1-CG 3.97Å; G100-E103 PolarHBondContact N-OE2 3.49Å; G100-E103 PolarHBondContact O-N 3.01Å; G100-E103 VanDerWaalsContact O-N 3.16Å; E103-V107 HydrophobicContact CG-CB 4.1Å; E103-V107 HydrophobicContact CG-CG1 4.09Å; E103-F108 HydrophobicContact CG-CB 4.25Å; E103-F108 VanDerWaalsContact OE1-CA 3.24Å; E103-F108 WeakPolarHBondContact OE1-CA 2.87Å; E103-F108 PolarHBondContact OE1-N 2.86Å
104S94.7Very high95.3Very high51 Ų5156.8 Ų56.836%0.35732%0.318SS..  trans-78.7149.9172.771.80000111.3D106 V107 F108S104-D106 PolarHBondContact O-N 3.37Å; S104-V107 PolarHBondContact O-N 3.37Å; S104-V107 VanDerWaalsContact O-N 3.15Å; S104-V107 VanDerWaalsContact OG-CG2 3.25Å; S104-V107 WeakPolarHBondContact OG-CG2 3.45Å; S104-V107 PolarHBondContact OG-N 3.47Å; S104-F108 PolarHBondContact O-N 3.08Å; S104-F108 VanDerWaalsContact O-N 3.09Å
105P95.9Very high95.2Very high12 Ų1256.2 Ų56.28%0.07832%0.315CS..Hα-helixtrans-56.4-33.3176.2-27.137000113.6L109 F131 R162 L165P105-L109 WeakPolarHBondContact O-CB 3.23Å; P105-L109 PolarHBondContact O-N 2.85Å; P105-F131 HydrophobicContact CB-CE2 4.29Å; P105-F131 HydrophobicContact CB-CZ 4.01Å; P105-R162 HydrophobicContact CB-CG 4.22Å; P105-R162 HydrophobicContact CG-CG 4.1Å; P105-L165 HydrophobicContact CG-CD1 3.47Å; P105-L165 VanDerWaalsContact CG-CD1 3.47Å
106D96.9Very high95.2Very high73 Ų7352.8 Ų52.839%0.3930%0.295SS..Hα-helixtrans-66.5-43.3178.6-59.5-85.1000112.1S104 L109 A110 R162S104-D106 PolarHBondContact O-N 3.37Å; D106-L109 PolarHBondContact O-N 3.28Å; D106-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 PolarHBondContact O-N 3.03Å; D106-R162 WeakPolarHBondContact OD2-CD 3.35Å
107V96.3Very high95Very high84 Ų8452.7 Ų52.751%0.50929%0.294SS..Hα-helixtrans-66.3-43.1176.8174.20000110.6E103 S104 L109 A110 E111E103-V107 HydrophobicContact CG-CB 4.1Å; E103-V107 HydrophobicContact CG-CG1 4.09Å; S104-V107 PolarHBondContact O-N 3.37Å; S104-V107 VanDerWaalsContact O-N 3.15Å; S104-V107 VanDerWaalsContact OG-CG2 3.25Å; S104-V107 WeakPolarHBondContact OG-CG2 3.45Å; S104-V107 PolarHBondContact OG-N 3.47Å; V107-L109 PolarHBondContact O-N 2.91Å; V107-A110 WeakPolarHBondContact O-CB 3.37Å; V107-A110 PolarHBondContact O-N 2.99Å; V107-E111 PolarHBondContact O-N 3.45Å
108F97.4Very high94.7Very high0 Ų051 Ų510%029%0.289CS..Hα-helixtrans-60.8-44.7176.1168-122.1000112R97 L99 E103 S104 E111 L112 F131 L135R97-F108 HydrophobicContact CB-CE2 4.29Å; R97-F108 HydrophobicContact CG-CD2 4.05Å; R97-F108 HydrophobicContact CG-CE2 3.73Å; L99-F108 HydrophobicContact CB-CD1 4.15Å; L99-F108 HydrophobicContact CB-CE1 4.41Å; L99-F108 HydrophobicContact CB-CG 4.23Å; L99-F108 HydrophobicContact CD1-CB 3.46Å; L99-F108 VanDerWaalsContact CD1-CB 3.46Å; L99-F108 HydrophobicContact CD1-CD1 4.05Å; L99-F108 HydrophobicContact CD1-CG 3.84Å; E103-F108 HydrophobicContact CG-CB 4.25Å; E103-F108 VanDerWaalsContact OE1-CA 3.24Å; E103-F108 WeakPolarHBondContact OE1-CA 2.87Å; E103-F108 PolarHBondContact OE1-N 2.86Å; S104-F108 PolarHBondContact O-N 3.08Å; S104-F108 VanDerWaalsContact O-N 3.09Å; F108-E111 PolarHBondContact O-N 2.96Å; F108-L112 HydrophobicContact CD1-CD1 4.5Å; F108-L112 HydrophobicContact CD2-CD1 4.46Å; F108-L112 HydrophobicContact CD2-CG 4.35Å; F108-L112 HydrophobicContact CE1-CD1 3.92Å; F108-L112 HydrophobicContact CE2-CD1 3.87Å; F108-L112 HydrophobicContact CE2-CD2 4.19Å; F108-L112 HydrophobicContact CE2-CG 3.94Å; F108-L112 HydrophobicContact CZ-CD1 3.55Å; F108-L112 HydrophobicContact CZ-CD2 4.5Å; F108-L112 HydrophobicContact CZ-CG 4.16Å; F108-L112 WeakPolarHBondContact O-CG 3.36Å; F108-L112 PolarHBondContact O-N 2.97Å; F108-F131 AromaticContact CD1-CD2 3.56Å; F108-F131 HydrophobicContact CD1-CD2 3.56Å; F108-F131 AromaticContact CD1-CE2 3.58Å; F108-F131 HydrophobicContact CD1-CE2 3.58Å; F108-F131 HydrophobicContact CE1-CB 4.5Å; F108-F131 AromaticContact CE1-CD2 3.5Å; F108-F131 HydrophobicContact CE1-CD2 3.5Å; F108-F131 AromaticContact CE1-CE2 3.93Å; F108-F131 HydrophobicContact CE1-CE2 3.93Å; F108-F131 HydrophobicContact CE1-CG 4.1Å; F108-F131 WeakPolarHBondContact CE1-O 3.4Å; F108-L135 HydrophobicContact CE1-CD2 4.38Å
109L97.2Very high94.3Very high1 Ų145.8 Ų45.81%0.00527%0.273CS..Hα-helixtrans-67.1-36.8176.6-176.360.2000112.4P105 D106 V107 E111 L112 R113 F131 L154 L158P105-L109 WeakPolarHBondContact O-CB 3.23Å; P105-L109 PolarHBondContact O-N 2.85Å; D106-L109 PolarHBondContact O-N 3.28Å; V107-L109 PolarHBondContact O-N 2.91Å; L109-E111 VanDerWaalsContact C-N 3.3Å; L109-E111 PolarHBondContact O-N 3.35Å; L109-L112 HydrophobicContact CD1-CD1 4.48Å; L109-L112 PolarHBondContact O-N 3.42Å; L109-R113 WeakPolarHBondContact O-CG 3.42Å; L109-R113 PolarHBondContact O-N 2.85Å; L109-F131 HydrophobicContact CB-CD2 3.89Å; L109-F131 HydrophobicContact CB-CE2 3.93Å; L109-F131 HydrophobicContact CD1-CB 4.3Å; L109-F131 HydrophobicContact CD1-CD2 3.89Å; L109-F131 HydrophobicContact CD1-CG 4.39Å; L109-F131 HydrophobicContact CG-CD2 4.36Å; L109-L154 HydrophobicContact CD1-CD1 3.89Å; L109-L154 HydrophobicContact CD1-CD2 4.21Å; L109-L154 HydrophobicContact CD1-CG 4.47Å; L109-L154 HydrophobicContact CD2-CD1 4.03Å; L109-L154 HydrophobicContact CD2-CD2 4.14Å; L109-L154 HydrophobicContact CD2-CG 4.03Å; L109-L158 HydrophobicContact CB-CD1 4.11Å; L109-L158 HydrophobicContact CD2-CD1 3.36Å; L109-L158 HydrophobicContact CG-CD1 4.38Å
110A96Very high94Very high52 Ų5252.2 Ų52.243%0.4331%0.307SS..Hα-helixtrans-60.2-42.7174.900000111.1D106 V107 R113 R114D106-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 PolarHBondContact O-N 3.03Å; V107-A110 WeakPolarHBondContact O-CB 3.37Å; V107-A110 PolarHBondContact O-N 2.99Å; A110-R113 PolarHBondContact O-N 3.27Å; A110-R114 PolarHBondContact O-N 3.47Å
111E94.3Very high93.9Very high50 Ų5053 Ų5323%0.23430%0.304CS..Hα-helixtrans-65.8-41.4176.1-179.559.1-17200112.3V107 F108 L109 R113 R114 L115V107-E111 PolarHBondContact O-N 3.45Å; F108-E111 PolarHBondContact O-N 2.96Å; L109-E111 VanDerWaalsContact C-N 3.3Å; L109-E111 PolarHBondContact O-N 3.35Å; E111-R113 VanDerWaalsContact C-N 3.33Å; E111-R113 PolarHBondContact O-N 3.46Å; E111-R114 WeakPolarHBondContact O-CB 3.35Å; E111-R114 PolarHBondContact O-N 3.33Å; E111-R114 IonicContact OE1-CZ 3.69Å; E111-R114 IonicContact OE1-NE 3.45Å; E111-R114 PolarHBondContact OE1-NE 2.98Å; E111-R114 IonicContact OE1-NH2 2.62Å; E111-R114 PolarHBondContact OE1-NH2 3.33Å; E111-R114 IonicContact OE2-CZ 2.79Å; E111-R114 IonicContact OE2-NE 2.61Å; E111-R114 PolarHBondContact OE2-NE 3.12Å; E111-R114 IonicContact OE2-NH2 3.06Å; E111-L115 HydrophobicContact CG-CD1 4.18Å; E111-L115 WeakPolarHBondContact O-CG 3.37Å; E111-L115 PolarHBondContact O-N 3.02Å
112L96.9Very high94Very high1 Ų149.6 Ų49.61%0.00528%0.283CS..Hα-helixtrans-60.2-41.6173.4-73178.8000112.2F94 R97 F108 L109 R114 L115 A116 L127 A130 F131F94-L112 HydrophobicContact CD2-CD2 3.87Å; F94-L112 HydrophobicContact CE2-CB 4.11Å; F94-L112 HydrophobicContact CE2-CD2 3.88Å; F94-L112 WeakPolarHBondContact CE2-O 3.29Å; R97-L112 HydrophobicContact CB-CD2 3.97Å; R97-L112 HydrophobicContact CG-CD2 4.18Å; F108-L112 HydrophobicContact CD1-CD1 4.5Å; F108-L112 HydrophobicContact CD2-CD1 4.46Å; F108-L112 HydrophobicContact CD2-CG 4.35Å; F108-L112 HydrophobicContact CE1-CD1 3.92Å; F108-L112 HydrophobicContact CE2-CD1 3.87Å; F108-L112 HydrophobicContact CE2-CD2 4.19Å; F108-L112 HydrophobicContact CE2-CG 3.94Å; F108-L112 HydrophobicContact CZ-CD1 3.55Å; F108-L112 HydrophobicContact CZ-CD2 4.5Å; F108-L112 HydrophobicContact CZ-CG 4.16Å; F108-L112 WeakPolarHBondContact O-CG 3.36Å; F108-L112 PolarHBondContact O-N 2.97Å; L109-L112 HydrophobicContact CD1-CD1 4.48Å; L109-L112 PolarHBondContact O-N 3.42Å; L112-R114 VanDerWaalsContact C-N 3.34Å; L112-L115 PolarHBondContact O-N 3.36Å; L112-A116 VanDerWaalsContact O-CB 3.23Å; L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 3.17Å; L112-L127 HydrophobicContact CB-CD2 4.23Å; L112-A130 HydrophobicContact CD1-CB 4.28Å; L112-A130 HydrophobicContact CD2-CB 4.39Å; L112-F131 HydrophobicContact CD1-CB 4Å; L112-F131 HydrophobicContact CD1-CD2 4.35Å
113R95.8Very high94.1Very high117 Ų11745.4 Ų45.444%0.44226%0.26SS..Hα-helixtrans-62.1-43.3175.1-74.7-179.7-179125.9-3.1111.6L109 A110 E111 A116 S117 L127L109-R113 WeakPolarHBondContact O-CG 3.42Å; L109-R113 PolarHBondContact O-N 2.85Å; A110-R113 PolarHBondContact O-N 3.27Å; E111-R113 VanDerWaalsContact C-N 3.33Å; E111-R113 PolarHBondContact O-N 3.46Å; R113-A116 PolarHBondContact O-N 3.03Å; R113-S117 WeakPolarHBondContact O-CB 3.46Å; R113-S117 PolarHBondContact O-N 2.93Å; R113-L127 HydrophobicContact CG-CD1 3.83Å; R113-L127 HydrophobicContact CG-CD2 3.97Å
114R92.7Very high94Very high49 Ų4949 Ų4919%0.18528%0.277CS..Hα-helixtrans-59.1-51.8177.2-169.4-168.170.278.9-0.5110.8E28 A110 E111 L112 S117 L118E28-R114 WeakPolarHBondContact OE1-CD 3.5Å; A110-R114 PolarHBondContact O-N 3.47Å; E111-R114 WeakPolarHBondContact O-CB 3.35Å; E111-R114 PolarHBondContact O-N 3.33Å; E111-R114 IonicContact OE1-CZ 3.69Å; E111-R114 IonicContact OE1-NE 3.45Å; E111-R114 PolarHBondContact OE1-NE 2.98Å; E111-R114 IonicContact OE1-NH2 2.62Å; E111-R114 PolarHBondContact OE1-NH2 3.33Å; E111-R114 IonicContact OE2-CZ 2.79Å; E111-R114 IonicContact OE2-NE 2.61Å; E111-R114 PolarHBondContact OE2-NE 3.12Å; E111-R114 IonicContact OE2-NH2 3.06Å; L112-R114 VanDerWaalsContact C-N 3.34Å; R114-S117 PolarHBondContact O-N 3.29Å; R114-S117 PolarHBondContact O-OG 2.68Å; R114-L118 PolarHBondContact O-N 3.22Å
115L93.4Very high93.9Very high1 Ų153.5 Ų53.51%0.00529%0.29CS..Hα-helixtrans-63.3-42178.3-68.8171000112.5Q93 F94 E111 L112 S117 L118Q93-L115 HydrophobicContact CB-CD1 4.06Å; Q93-L115 HydrophobicContact CB-CD2 3.9Å; F94-L115 HydrophobicContact CB-CB 4.02Å; F94-L115 HydrophobicContact CB-CD1 4.48Å; F94-L115 HydrophobicContact CD2-CB 3.96Å; F94-L115 HydrophobicContact CG-CB 4.49Å; E111-L115 HydrophobicContact CG-CD1 4.18Å; E111-L115 WeakPolarHBondContact O-CG 3.37Å; E111-L115 PolarHBondContact O-N 3.02Å; L112-L115 PolarHBondContact O-N 3.36Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3.4Å; L115-L118 HydrophobicContact CD2-CD1 4.45Å; L115-L118 WeakPolarHBondContact O-CB 3.5Å; L115-L118 PolarHBondContact O-N 3.1Å; L115-L118 VanDerWaalsContact O-N 3.15Å
116A94.8Very high93.8Very high0 Ų055.1 Ų55.10%030%0.3CS..Hα-helixtrans-64-33.6177.900000112.8F94 L112 R113 L118 C119 D120 I121 A122 L127F94-A116 HydrophobicContact CD2-CB 4.19Å; F94-A116 HydrophobicContact CE2-CB 3.78Å; F94-A116 HydrophobicContact CZ-CB 4.39Å; L112-A116 VanDerWaalsContact O-CB 3.23Å; L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 3.17Å; R113-A116 PolarHBondContact O-N 3.03Å; A116-L118 VanDerWaalsContact C-N 3.3Å; A116-C119 PolarHBondContact O-N 3.02Å; A116-D120 PolarHBondContact O-N 2.8Å; A116-I121 HydrophobicContact CB-CG1 3.96Å; A116-I121 PolarHBondContact O-N 2.69Å; A116-A122 HydrophobicContact CB-CB 3.98Å; A116-L127 HydrophobicContact CB-CD2 3.92Å
117S92.2Very high93.7Very high59 Ų5952.1 Ų52.141%0.41328%0.284SS..Hα-helixtrans-70.3-25.3176.273.50000113.4R113 R114 L115 C119R113-S117 WeakPolarHBondContact O-CB 3.46Å; R113-S117 PolarHBondContact O-N 2.93Å; R114-S117 PolarHBondContact O-N 3.29Å; R114-S117 PolarHBondContact O-OG 2.68Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3.4Å; S117-C119 VanDerWaalsContact C-N 3.31Å
118L89.8Confident93.6Very high25 Ų2548.6 Ų48.613%0.13126%0.263CS..Hα-helixtrans-75.1-21.4176.3-76.2166.3000113.1M27 A85 A90 R114 L115 A116M27-L118 HydrophobicContact CE-CD2 3.23Å; M27-L118 HydrophobicContact CE-CG 3.96Å; M27-L118 HydrophobicContact SD-CD2 4.47Å; A85-L118 HydrophobicContact CB-CD1 4.22Å; A85-L118 HydrophobicContact CB-CD2 4.24Å; A90-L118 HydrophobicContact CB-CB 3.72Å; A90-L118 HydrophobicContact CB-CD1 4.08Å; R114-L118 PolarHBondContact O-N 3.22Å; L115-L118 HydrophobicContact CD2-CD1 4.45Å; L115-L118 WeakPolarHBondContact O-CB 3.5Å; L115-L118 PolarHBondContact O-N 3.1Å; L115-L118 VanDerWaalsContact O-N 3.15Å; A116-L118 VanDerWaalsContact C-N 3.3Å
119C89.5Confident93.4Very high23 Ų2354.7 Ų54.716%0.15529%0.287CS..THydrogen-bonded Turntrans-114.89.2-177.1-46.70000112.9P87 A90 Y91 A116 S117 I121P87-C119 PolarHBondContact O-SG 2.88Å; A90-C119 WeakPolarHBondContact CB-SG 3.37Å; Y91-C119 PolarHBondContact N-SG 3.41Å; A116-C119 PolarHBondContact O-N 3.02Å; S117-C119 VanDerWaalsContact C-N 3.31Å; C119-I121 VanDerWaalsContact C-N 3.27Å; C119-I121 HydrophobicContact CB-CD1 4.36Å; C119-I121 HydrophobicContact CB-CG1 4.15Å; C119-I121 WeakPolarHBondContact O-CG2 3.48Å; C119-I121 PolarHBondContact O-N 3.11Å
120D90.4Very high93.3Very high156 Ų15655.5 Ų55.583%0.83429%0.294SS*.THydrogen-bonded Turntrans55.932.4-176.9-61.4-46.7000115.1A116A116-D120 PolarHBondContact O-N 2.8Å
121I92.7Very high93.3Very high48 Ų4853 Ų5325%0.24627%0.273CS..  trans-113.117.7-179.463.8174.7000114Y91 F94 A116 C119 S123 T126Y91-I121 HydrophobicContact CD2-CD1 3.97Å; Y91-I121 HydrophobicContact CE2-CD1 4.31Å; F94-I121 HydrophobicContact CD1-CD1 3.75Å; F94-I121 HydrophobicContact CE1-CD1 3.8Å; F94-I121 HydrophobicContact CG-CD1 4.24Å; F94-I121 HydrophobicContact CZ-CD1 4.33Å; A116-I121 HydrophobicContact CB-CG1 3.96Å; A116-I121 PolarHBondContact O-N 2.69Å; C119-I121 VanDerWaalsContact C-N 3.27Å; C119-I121 HydrophobicContact CB-CD1 4.36Å; C119-I121 HydrophobicContact CB-CG1 4.15Å; C119-I121 WeakPolarHBondContact O-CG2 3.48Å; C119-I121 PolarHBondContact O-N 3.11Å; I121-S123 PolarHBondContact O-N 3.01Å; I121-T126 HydrophobicContact CB-CG2 4.46Å; I121-T126 HydrophobicContact CD1-CG2 4.42Å; I121-T126 WeakPolarHBondContact O-CB 3.38Å; I121-T126 WeakPolarHBondContact O-CG2 3.32Å
122A91.3Very high93.3Very high57 Ų5751.9 Ų51.947%0.47127%0.27SS..  trans-72.839.5-171.800000115.3A116A116-A122 HydrophobicContact CB-CB 3.98Å
123S93.5Very high93.2Very high56 Ų5654 Ų5439%0.39229%0.287SS..  trans-72.2146.2171.296.40000110.8I121 K125 T126 L127I121-S123 PolarHBondContact O-N 3.01Å; S123-K125 VanDerWaalsContact C-N 3.26Å; S123-K125 PolarHBondContact O-N 3.4Å; S123-T126 PolarHBondContact O-N 3.13Å; S123-T126 WeakPolarHBondContact OG-CB 3.37Å; S123-T126 PolarHBondContact OG-N 3.25Å; S123-T126 PolarHBondContact OG-OG1 3.15Å; S123-L127 WeakPolarHBondContact O-CG 3.46Å; S123-L127 PolarHBondContact O-N 2.84Å
124E92.2Very high93.2Very high113 Ų11348.4 Ų48.453%0.52827%0.267SS..Hα-helixtrans-59-39.1180-170.7177.3173.300112.1L127 A128 L154E124-L127 PolarHBondContact O-N 2.76Å; E124-A128 WeakPolarHBondContact O-CB 3.42Å; E124-A128 PolarHBondContact O-N 2.88Å; E124-L154 HydrophobicContact CG-CB 3.8Å; E124-L154 HydrophobicContact CG-CD2 4.38Å; E124-L154 PolarHBondContact OE1-N 3.08Å
125K92.3Very high93.3Very high147 Ų14746.3 Ų46.364%0.63926%0.259SS*.Hα-helixtrans-66-44.2176.2-68.5-171.4177.3-174.40112.1S123 L127 A128 Y129S123-K125 VanDerWaalsContact C-N 3.26Å; S123-K125 PolarHBondContact O-N 3.4Å; K125-L127 VanDerWaalsContact C-N 3.28Å; K125-L127 PolarHBondContact O-N 3.21Å; K125-A128 PolarHBondContact O-N 2.99Å; K125-Y129 HydrophobicContact CB-CE2 4.09Å; K125-Y129 WeakPolarHBondContact O-CD2 3.43Å; K125-Y129 VanDerWaalsContact O-CG 3.27Å; K125-Y129 PolarHBondContact O-N 3.3Å
126T94Very high93.4Very high46 Ų4649.2 Ų49.228%0.28228%0.278SS..Hα-helixtrans-58.6-44.5176.5-53.90000110.5F94 I121 S123 Y129 A130F94-T126 HydrophobicContact CE1-CG2 4.01Å; F94-T126 HydrophobicContact CZ-CG2 3.97Å; I121-T126 HydrophobicContact CB-CG2 4.46Å; I121-T126 HydrophobicContact CD1-CG2 4.42Å; I121-T126 WeakPolarHBondContact O-CB 3.38Å; I121-T126 WeakPolarHBondContact O-CG2 3.32Å; S123-T126 PolarHBondContact O-N 3.13Å; S123-T126 WeakPolarHBondContact OG-CB 3.37Å; S123-T126 PolarHBondContact OG-N 3.25Å; S123-T126 PolarHBondContact OG-OG1 3.15Å; T126-Y129 PolarHBondContact O-N 2.89Å; T126-A130 VanDerWaalsContact O-CB 3.29Å; T126-A130 WeakPolarHBondContact O-CB 3.38Å; T126-A130 PolarHBondContact O-N 3.2Å
127L95.8Very high93.2Very high10 Ų1054.2 Ų54.25%0.05230%0.301CS..Hα-helixtrans-64.9-41.5177.1-70.6168.9000112.1F94 L112 R113 A116 S123 E124 K125 F131 L154F94-L127 HydrophobicContact CE2-CD2 4.24Å; L112-L127 HydrophobicContact CB-CD2 4.23Å; R113-L127 HydrophobicContact CG-CD1 3.83Å; R113-L127 HydrophobicContact CG-CD2 3.97Å; A116-L127 HydrophobicContact CB-CD2 3.92Å; S123-L127 WeakPolarHBondContact O-CG 3.46Å; S123-L127 PolarHBondContact O-N 2.84Å; E124-L127 PolarHBondContact O-N 2.76Å; K125-L127 VanDerWaalsContact C-N 3.28Å; K125-L127 PolarHBondContact O-N 3.21Å; L127-F131 WeakPolarHBondContact O-CB 3.48Å; L127-F131 PolarHBondContact O-N 3.4Å; L127-L154 HydrophobicContact CB-CD1 4.45Å; L127-L154 HydrophobicContact CB-CD2 3.85Å; L127-L154 HydrophobicContact CD1-CD2 4.22Å
128A94Very high93.1Very high9 Ų953.3 Ų53.37%0.07430%0.301CS..Hα-helixtrans-61.2-48.4176.300000111.9E124 K125 F131 V132 L154 I157E124-A128 WeakPolarHBondContact O-CB 3.42Å; E124-A128 PolarHBondContact O-N 2.88Å; K125-A128 PolarHBondContact O-N 2.99Å; A128-F131 PolarHBondContact O-N 3.24Å; A128-V132 VanDerWaalsContact O-CG2 3.25Å; A128-V132 WeakPolarHBondContact O-CG2 3.33Å; A128-V132 PolarHBondContact O-N 2.94Å; A128-L154 HydrophobicContact CB-CD1 4.24Å; A128-I157 HydrophobicContact CB-CD1 3.84Å
129Y92.8Very high93.2Very high128 Ų12852.7 Ų52.750%0.50230%0.298SS..Hα-helixtrans-64.1-44.5178.4-59.8-34.3000112.2K125 T126 V132 A133K125-Y129 HydrophobicContact CB-CE2 4.09Å; K125-Y129 WeakPolarHBondContact O-CD2 3.43Å; K125-Y129 VanDerWaalsContact O-CG 3.27Å; K125-Y129 PolarHBondContact O-N 3.3Å; T126-Y129 PolarHBondContact O-N 2.89Å; Y129-V132 PolarHBondContact O-N 3.46Å; Y129-A133 VanDerWaalsContact O-CB 3.26Å; Y129-A133 WeakPolarHBondContact O-CB 3.16Å; Y129-A133 PolarHBondContact O-N 3.36Å
130A95.5Very high93.3Very high18 Ų1855.2 Ų55.215%0.14931%0.305CS..Hα-helixtrans-64.8-41177.700000112.3F94 L112 T126 A133 G134F94-A130 HydrophobicContact CE1-CB 3.6Å; F94-A130 HydrophobicContact CE2-CB 3.96Å; F94-A130 HydrophobicContact CZ-CB 3.23Å; L112-A130 HydrophobicContact CD1-CB 4.28Å; L112-A130 HydrophobicContact CD2-CB 4.39Å; T126-A130 VanDerWaalsContact O-CB 3.29Å; T126-A130 WeakPolarHBondContact O-CB 3.38Å; T126-A130 PolarHBondContact O-N 3.2Å; A130-A133 PolarHBondContact O-N 3.06Å; A130-G134 PolarHBondContact O-N 2.92Å
131F96.1Very high93.2Very high0 Ų054 Ų540%029%0.294CS..Hα-helixtrans-58.9-53176-178.7-95.7000110.5P105 F108 L109 L112 L127 A128 A133 G134 L135 I157 L158 A161P105-F131 HydrophobicContact CB-CE2 4.29Å; P105-F131 HydrophobicContact CB-CZ 4.01Å; F108-F131 AromaticContact CD1-CD2 3.56Å; F108-F131 HydrophobicContact CD1-CD2 3.56Å; F108-F131 AromaticContact CD1-CE2 3.58Å; F108-F131 HydrophobicContact CD1-CE2 3.58Å; F108-F131 HydrophobicContact CE1-CB 4.5Å; F108-F131 AromaticContact CE1-CD2 3.5Å; F108-F131 HydrophobicContact CE1-CD2 3.5Å; F108-F131 AromaticContact CE1-CE2 3.93Å; F108-F131 HydrophobicContact CE1-CE2 3.93Å; F108-F131 HydrophobicContact CE1-CG 4.1Å; F108-F131 WeakPolarHBondContact CE1-O 3.4Å; L109-F131 HydrophobicContact CB-CD2 3.89Å; L109-F131 HydrophobicContact CB-CE2 3.93Å; L109-F131 HydrophobicContact CD1-CB 4.3Å; L109-F131 HydrophobicContact CD1-CD2 3.89Å; L109-F131 HydrophobicContact CD1-CG 4.39Å; L109-F131 HydrophobicContact CG-CD2 4.36Å; L112-F131 HydrophobicContact CD1-CB 4Å; L112-F131 HydrophobicContact CD1-CD2 4.35Å; L127-F131 WeakPolarHBondContact O-CB 3.48Å; L127-F131 PolarHBondContact O-N 3.4Å; A128-F131 PolarHBondContact O-N 3.24Å; F131-A133 PolarHBondContact O-N 3.16Å; F131-G134 PolarHBondContact O-N 3.16Å; F131-L135 HydrophobicContact CD1-CD1 4.15Å; F131-L135 HydrophobicContact CE1-CD1 3.85Å; F131-L135 HydrophobicContact CE1-CD2 4.33Å; F131-L135 HydrophobicContact CE1-CG 4.39Å; F131-L135 HydrophobicContact CZ-CD2 4.29Å; F131-L135 WeakPolarHBondContact O-CG 2.94Å; F131-L135 PolarHBondContact O-N 3.47Å; F131-I157 HydrophobicContact CD1-CG2 3.71Å; F131-I157 HydrophobicContact CE1-CG2 3.88Å; F131-L158 HydrophobicContact CZ-CB 4.47Å; F131-A161 HydrophobicContact CE1-CB 3.8Å; F131-A161 HydrophobicContact CZ-CB 3.95Å
132V94.2Very high93.1Very high26 Ų2655.3 Ų55.316%0.15830%0.301CS..Hα-helixtrans-60-46.2178.3173.90000111.2A128 Y129 G134 L135 R140 M149 I157A128-V132 VanDerWaalsContact O-CG2 3.25Å; A128-V132 WeakPolarHBondContact O-CG2 3.33Å; A128-V132 PolarHBondContact O-N 2.94Å; Y129-V132 PolarHBondContact O-N 3.46Å; V132-G134 PolarHBondContact O-N 3.01Å; V132-L135 PolarHBondContact O-N 3.15Å; V132-R140 HydrophobicContact CG1-CG 4.47Å; V132-R140 WeakPolarHBondContact O-CD 3.32Å; V132-R140 WeakPolarHBondContact O-CG 3.05Å; V132-M149 HydrophobicContact CB-CE 4.09Å; V132-M149 HydrophobicContact CG1-CE 3.69Å; V132-M149 HydrophobicContact CG2-CE 3.25Å; V132-I157 HydrophobicContact CG2-CD1 4.48Å; V132-I157 HydrophobicContact CG2-CG2 3.87Å
133A94.3Very high93Very high45 Ų4552.7 Ų52.737%0.37228%0.279SS..Hα-helixtrans-59.7-32.3179.800000112.6Y129 A130 F131 R140Y129-A133 VanDerWaalsContact O-CB 3.26Å; Y129-A133 WeakPolarHBondContact O-CB 3.16Å; Y129-A133 PolarHBondContact O-N 3.36Å; A130-A133 PolarHBondContact O-N 3.06Å; F131-A133 PolarHBondContact O-N 3.16Å; A133-R140 PolarHBondContact O-NH1 2.86Å
134G96.2Very high92.5Very high1 Ų151.9 Ų51.91%0.0128%0.279CS..Hα-helixtrans-85.3-5.5-179.800000116R98 L99 A130 F131 V132R98-G134 CarbonylContact C-O 3.6Å; R98-G134 WeakPolarHBondContact CA-O 3.38Å; L99-G134 PolarHBondContact N-O 3.17Å; A130-G134 PolarHBondContact O-N 2.92Å; F131-G134 PolarHBondContact O-N 3.16Å; V132-G134 PolarHBondContact O-N 3.01Å
135L95.1Very high92Very high4 Ų449.8 Ų49.82%0.02128%0.281CS..SBendtrans-77.2154.3176.2-66173.4000112.2L99 F108 F131 V132 V139 R140 L143 A161L99-L135 HydrophobicContact CB-CD2 4.37Å; L99-L135 HydrophobicContact CD2-CD2 3.7Å; F108-L135 HydrophobicContact CE1-CD2 4.38Å; F131-L135 HydrophobicContact CD1-CD1 4.15Å; F131-L135 HydrophobicContact CE1-CD1 3.85Å; F131-L135 HydrophobicContact CE1-CD2 4.33Å; F131-L135 HydrophobicContact CE1-CG 4.39Å; F131-L135 HydrophobicContact CZ-CD2 4.29Å; F131-L135 WeakPolarHBondContact O-CG 2.94Å; F131-L135 PolarHBondContact O-N 3.47Å; V132-L135 PolarHBondContact O-N 3.15Å; L135-V139 HydrophobicContact CB-CB 4.39Å; L135-V139 HydrophobicContact CB-CG1 4.45Å; L135-V139 HydrophobicContact CD1-CG1 4.02Å; L135-R140 HydrophobicContact CB-CG 3.89Å; L135-L143 HydrophobicContact CD1-CD1 3.31Å; L135-A161 HydrophobicContact CD1-CB 4.23Å
136P93.8Very high91.1Very high63 Ų6346.5 Ų46.541%0.40929%0.289SS..  trans-57.5144.7170.2-21.832.7000111.8G138 V139 R140P136-G138 PolarHBondContact O-N 3.44Å; P136-V139 HydrophobicContact CB-CG2 4.24Å; P136-V139 HydrophobicContact CG-CG2 4.34Å; P136-V139 WeakPolarHBondContact O-CA 3.48Å; P136-V139 WeakPolarHBondContact O-CB 3.28Å; P136-V139 PolarHBondContact O-N 3.21Å; P136-R140 PolarHBondContact O-N 3.23Å; P136-R140 VanDerWaalsContact O-N 3.17Å
137E91.8Very high90.1Very high105 Ų10546.6 Ų46.649%0.49129%0.291SS..Hα-helixtrans-49.6-51.7-173.4-171.868.6-90.900113.4V139 R140 E141E137-V139 PolarHBondContact O-N 3.36Å; E137-V139 VanDerWaalsContact O-N 3.12Å; E137-R140 WeakPolarHBondContact O-CA 3.29Å; E137-R140 WeakPolarHBondContact O-CB 3.23Å; E137-R140 PolarHBondContact O-N 2.94Å; E137-R140 IonicContact OE1-CZ 3.66Å; E137-R140 IonicContact OE1-NE 3.63Å; E137-R140 PolarHBondContact OE1-NE 2.93Å; E137-R140 IonicContact OE1-NH2 3.62Å; E137-R140 PolarHBondContact OE1-NH2 3.11Å; E137-R140 IonicContact OE2-CZ 3.6Å; E137-R140 IonicContact OE2-NH2 2.65Å; E137-R140 PolarHBondContact OE2-NH2 3.5Å; E137-E141 PolarHBondContact O-N 3.43Å
138G90.4Very high89.1Confident39 Ų3955.2 Ų55.240%0.40232%0.323SS..Hα-helixtrans-61.5-26.2-178.700000113.8P136 L142P136-G138 PolarHBondContact O-N 3.44Å; G138-L142 WeakPolarHBondContact O-CB 3.39Å; G138-L142 WeakPolarHBondContact O-CD1 3.49Å; G138-L142 VanDerWaalsContact O-CG 3.22Å; G138-L142 WeakPolarHBondContact O-CG 3.48Å; G138-L142 PolarHBondContact O-N 3.28Å
139V91.1Very high88Confident12 Ų1257.4 Ų57.47%0.07333%0.332CS..Hα-helixtrans-75.3-39.3173.6-1760000110.3L135 P136 E137 L142 L143 I164 L165L135-V139 HydrophobicContact CB-CB 4.39Å; L135-V139 HydrophobicContact CB-CG1 4.45Å; L135-V139 HydrophobicContact CD1-CG1 4.02Å; P136-V139 HydrophobicContact CB-CG2 4.24Å; P136-V139 HydrophobicContact CG-CG2 4.34Å; P136-V139 WeakPolarHBondContact O-CA 3.48Å; P136-V139 WeakPolarHBondContact O-CB 3.28Å; P136-V139 PolarHBondContact O-N 3.21Å; E137-V139 PolarHBondContact O-N 3.36Å; E137-V139 VanDerWaalsContact O-N 3.12Å; V139-L142 PolarHBondContact O-N 3.39Å; V139-L143 HydrophobicContact CG1-CD1 4.27Å; V139-L143 HydrophobicContact CG1-CG 4.46Å; V139-L143 WeakPolarHBondContact O-CB 2.93Å; V139-L143 VanDerWaalsContact O-CG 3.3Å; V139-L143 WeakPolarHBondContact O-CG 3.39Å; V139-L143 PolarHBondContact O-N 2.93Å; V139-I164 HydrophobicContact CB-CG2 4.36Å; V139-I164 HydrophobicContact CG1-CB 4.33Å; V139-I164 HydrophobicContact CG1-CD1 4.4Å; V139-I164 HydrophobicContact CG1-CG2 3.96Å; V139-I164 HydrophobicContact CG2-CG2 4.16Å; V139-L165 HydrophobicContact CG1-CG 4.5Å; V139-L165 HydrophobicContact CG2-CD2 3.75Å; V139-L165 HydrophobicContact CG2-CG 4.23Å
140R91.3Very high87.2Confident77 Ų7757.3 Ų57.329%0.29134%0.341SS..Hα-helixtrans-62.3-44.5176.6-59.2-168.6-59.6-151.17.2111.7V132 A133 L135 P136 E137 L142 L143 G144V132-R140 HydrophobicContact CG1-CG 4.47Å; V132-R140 WeakPolarHBondContact O-CD 3.32Å; V132-R140 WeakPolarHBondContact O-CG 3.05Å; A133-R140 PolarHBondContact O-NH1 2.86Å; L135-R140 HydrophobicContact CB-CG 3.89Å; P136-R140 PolarHBondContact O-N 3.23Å; P136-R140 VanDerWaalsContact O-N 3.17Å; E137-R140 WeakPolarHBondContact O-CA 3.29Å; E137-R140 WeakPolarHBondContact O-CB 3.23Å; E137-R140 PolarHBondContact O-N 2.94Å; E137-R140 IonicContact OE1-CZ 3.66Å; E137-R140 IonicContact OE1-NE 3.63Å; E137-R140 PolarHBondContact OE1-NE 2.93Å; E137-R140 IonicContact OE1-NH2 3.62Å; E137-R140 PolarHBondContact OE1-NH2 3.11Å; E137-R140 IonicContact OE2-CZ 3.6Å; E137-R140 IonicContact OE2-NH2 2.65Å; E137-R140 PolarHBondContact OE2-NH2 3.5Å; R140-L142 PolarHBondContact O-N 3Å; R140-L143 PolarHBondContact O-N 2.9Å; R140-G144 PolarHBondContact O-N 2.77Å
141E88.9Confident86.5Confident130 Ų13062 Ų6261%0.60736%0.363SS*.Hα-helixtrans-59.9-46176-68.9177.9172.700111.5E137 L143 G144 A145E137-E141 PolarHBondContact O-N 3.43Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 2.9Å; E141-G144 PolarHBondContact O-N 3.34Å; E141-A145 PolarHBondContact O-N 2.79Å
142L90.4Very high85.9Confident75 Ų7563 Ų6339%0.39337%0.368SS..Hα-helixtrans-67.1-31.2177.6-72.9171.7000113.1G138 V139 R140 A145 I164G138-L142 WeakPolarHBondContact O-CB 3.39Å; G138-L142 WeakPolarHBondContact O-CD1 3.49Å; G138-L142 VanDerWaalsContact O-CG 3.22Å; G138-L142 WeakPolarHBondContact O-CG 3.48Å; G138-L142 PolarHBondContact O-N 3.28Å; V139-L142 PolarHBondContact O-N 3.39Å; R140-L142 PolarHBondContact O-N 3Å; L142-A145 PolarHBondContact O-N 2.87Å; L142-I164 HydrophobicContact CB-CD1 3.77Å; L142-I164 HydrophobicContact CB-CG1 4.27Å; L142-I164 HydrophobicContact CB-CG2 4.26Å; L142-I164 HydrophobicContact CD1-CG2 3.63Å
143L89Confident85.7Confident2 Ų264.9 Ų64.91%0.0138%0.378CS..Hα-helixtrans-68-39.3173.5-77.4172.2000112.2L135 V139 R140 E141 A145 M149 R160 A161 I164L135-L143 HydrophobicContact CD1-CD1 3.31Å; V139-L143 HydrophobicContact CG1-CD1 4.27Å; V139-L143 HydrophobicContact CG1-CG 4.46Å; V139-L143 WeakPolarHBondContact O-CB 2.93Å; V139-L143 VanDerWaalsContact O-CG 3.3Å; V139-L143 WeakPolarHBondContact O-CG 3.39Å; V139-L143 PolarHBondContact O-N 2.93Å; R140-L143 PolarHBondContact O-N 2.9Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 2.9Å; L143-A145 VanDerWaalsContact C-N 3.28Å; L143-M149 HydrophobicContact CB-SD 4.47Å; L143-R160 HydrophobicContact CD2-CB 3.44Å; L143-R160 VanDerWaalsContact CD2-CB 3.44Å; L143-A161 HydrophobicContact CD1-CB 4.48Å; L143-I164 HydrophobicContact CD2-CD1 3.72Å; L143-I164 HydrophobicContact CG-CD1 3.79Å
144G84Confident85.7Confident39 Ų3963.2 Ų63.240%0.40236%0.362SS..Hα-helixtrans-74.4-16.5175.900000113.8R140 E141 G146R140-G144 PolarHBondContact O-N 2.77Å; E141-G144 PolarHBondContact O-N 3.34Å; G144-G146 PolarHBondContact O-N 3.32Å; G144-G146 VanDerWaalsContact O-N 3.15Å
145A81.4Confident85.6Confident69 Ų6966.4 Ų66.457%0.5739%0.389SS*.THydrogen-bonded Turntrans-72.6106.1175.700000110.6E141 L142 L143E141-A145 PolarHBondContact O-N 2.79Å; L142-A145 PolarHBondContact O-N 2.87Å; L143-A145 VanDerWaalsContact C-N 3.28Å
146G72.7Confident85.5Confident78 Ų7870.1 Ų70.180%0.80441%0.406SS*.THydrogen-bonded Turntrans106.2-8.4167.600000116.4G144G144-G146 PolarHBondContact O-N 3.32Å; G144-G146 VanDerWaalsContact O-N 3.15Å
147C72.4Confident85.5Confident48 Ų4867.3 Ų67.332%0.32439%0.387SS..SBendtrans-145.8156.1171.8-62.80000111.3R160C147-R160 PolarHBondContact SG-NH1 3.17Å; C147-R160 PolarHBondContact SG-NH2 3.19Å
148R75Confident85.6Confident191 Ų19163.1 Ų63.172%0.72137%0.368SS*.  trans-74.8140165.2-59.9-178175.2-82.1-2.6108.2D150 D151R148-D150 PolarHBondContact O-N 3.36Å; R148-D151 WeakPolarHBondContact CB-OD2 3.43Å; R148-D151 PolarHBondContact O-N 3.06Å
149M71Confident85.8Confident55 Ų5563.2 Ų63.227%0.27137%0.365SS..G310 helixtrans-64.8-26.5-178.7-67.5-63.1-81.500112.5V132 L143 D151 L152V132-M149 HydrophobicContact CB-CE 4.09Å; V132-M149 HydrophobicContact CG1-CE 3.69Å; V132-M149 HydrophobicContact CG2-CE 3.25Å; L143-M149 HydrophobicContact CB-SD 4.47Å; M149-D151 PolarHBondContact O-N 2.61Å; M149-L152 PolarHBondContact O-N 2.64Å; M149-L152 HydrophobicContact SD-CD1 4.45Å
150D76.9Confident85.8Confident127 Ų12766.7 Ų66.768%0.67938%0.377SS*.G310 helixtrans-71.1-14.8178.6-59.2-47.8000113.7R148R148-D150 PolarHBondContact O-N 3.36Å
151D79.7Confident85.9Confident115 Ų11563 Ų6362%0.61536%0.363SS*.G310 helixtrans-85.6-12.8179.3-60.2-31000112.4R148 M149R148-D151 WeakPolarHBondContact CB-OD2 3.43Å; R148-D151 PolarHBondContact O-N 3.06Å; M149-D151 PolarHBondContact O-N 2.61Å
152L83.9Confident86.2Confident21 Ų2161.9 Ų61.911%0.1135%0.353CS..  trans-102.6131.5-173.6-55.7173.1000111.3M149 E156 I157 R160M149-L152 PolarHBondContact O-N 2.64Å; M149-L152 HydrophobicContact SD-CD1 4.45Å; L152-E156 VanDerWaalsContact CA-OE2 3.31Å; L152-E156 WeakPolarHBondContact CA-OE2 3.43Å; L152-E156 HydrophobicContact CB-CB 4.32Å; L152-E156 HydrophobicContact CD2-CB 4.24Å; L152-I157 HydrophobicContact CB-CD1 4.16Å; L152-I157 HydrophobicContact CB-CG1 3.61Å; L152-I157 HydrophobicContact CD1-CG1 4.08Å; L152-R160 VanDerWaalsContact CD1-NH1 3.34Å; L152-R160 VanDerWaalsContact CD2-CZ 3.41Å; L152-R160 VanDerWaalsContact CD2-NH2 3.35Å
153N90.8Very high86.3Confident67 Ų6761.6 Ų61.636%0.35836%0.362SS..  trans-77.6168.6166.668.352.7000111.3A155 E156 I157N153-A155 VanDerWaalsContact C-N 3.25Å; N153-A155 PolarHBondContact O-N 3.42Å; N153-A155 WeakPolarHBondContact OD1-CA 3.33Å; N153-A155 WeakPolarHBondContact OD1-CB 3.46Å; N153-A155 PolarHBondContact OD1-N 3.41Å; N153-E156 PolarHBondContact N-OE2 3.18Å; N153-E156 PolarHBondContact ND2-OE1 3.1Å; N153-E156 PolarHBondContact ND2-OE2 2.83Å; N153-E156 PolarHBondContact O-N 3.13Å; N153-E156 WeakPolarHBondContact OD1-CG 3.46Å; N153-E156 PolarHBondContact OD1-N 3.16Å; N153-I157 WeakPolarHBondContact O-CG1 3.21Å; N153-I157 PolarHBondContact O-N 2.95Å
154L93.6Very high86.4Confident9 Ų963.1 Ų63.15%0.04737%0.369CS..Hα-helixtrans-60.4-35.5-175.8177.961.4000112.7L109 E124 L127 A128 L158L109-L154 HydrophobicContact CD1-CD1 3.89Å; L109-L154 HydrophobicContact CD1-CD2 4.21Å; L109-L154 HydrophobicContact CD1-CG 4.47Å; L109-L154 HydrophobicContact CD2-CD1 4.03Å; L109-L154 HydrophobicContact CD2-CD2 4.14Å; L109-L154 HydrophobicContact CD2-CG 4.03Å; E124-L154 HydrophobicContact CG-CB 3.8Å; E124-L154 HydrophobicContact CG-CD2 4.38Å; E124-L154 PolarHBondContact OE1-N 3.08Å; L127-L154 HydrophobicContact CB-CD1 4.45Å; L127-L154 HydrophobicContact CB-CD2 3.85Å; L127-L154 HydrophobicContact CD1-CD2 4.22Å; A128-L154 HydrophobicContact CB-CD1 4.24Å; L154-L158 WeakPolarHBondContact O-CB 3.41Å; L154-L158 PolarHBondContact O-N 3.24Å
155A94.1Very high86.7Confident68 Ų6864.5 Ų64.556%0.56237%0.367SS*.Hα-helixtrans-69.2-38.2179.600000112.1N153 L158 A159N153-A155 VanDerWaalsContact C-N 3.25Å; N153-A155 PolarHBondContact O-N 3.42Å; N153-A155 WeakPolarHBondContact OD1-CA 3.33Å; N153-A155 WeakPolarHBondContact OD1-CB 3.46Å; N153-A155 PolarHBondContact OD1-N 3.41Å; A155-L158 PolarHBondContact O-N 3.35Å; A155-A159 WeakPolarHBondContact O-CB 3.44Å; A155-A159 PolarHBondContact O-N 3.2Å
156E93.3Very high87Confident82 Ų8266.8 Ų66.838%0.38337%0.374SS..Hα-helixtrans-67.5-43.1175.9-71166.316200111.7L152 N153 L158 A159 R160L152-E156 VanDerWaalsContact CA-OE2 3.31Å; L152-E156 WeakPolarHBondContact CA-OE2 3.43Å; L152-E156 HydrophobicContact CB-CB 4.32Å; L152-E156 HydrophobicContact CD2-CB 4.24Å; N153-E156 PolarHBondContact N-OE2 3.18Å; N153-E156 PolarHBondContact ND2-OE1 3.1Å; N153-E156 PolarHBondContact ND2-OE2 2.83Å; N153-E156 PolarHBondContact O-N 3.13Å; N153-E156 WeakPolarHBondContact OD1-CG 3.46Å; N153-E156 PolarHBondContact OD1-N 3.16Å; E156-L158 VanDerWaalsContact C-N 3.35Å; E156-L158 PolarHBondContact O-N 3.42Å; E156-A159 PolarHBondContact O-N 3.43Å; E156-R160 WeakPolarHBondContact O-CG 3.45Å; E156-R160 PolarHBondContact O-N 2.82Å
157I93.6Very high87.1Confident4 Ų470 Ų702%0.02136%0.362CS..Hα-helixtrans-59.3-47.8174.9-65.2170.3000110A128 F131 V132 L152 N153 A159 R160 A161A128-I157 HydrophobicContact CB-CD1 3.84Å; F131-I157 HydrophobicContact CD1-CG2 3.71Å; F131-I157 HydrophobicContact CE1-CG2 3.88Å; V132-I157 HydrophobicContact CG2-CD1 4.48Å; V132-I157 HydrophobicContact CG2-CG2 3.87Å; L152-I157 HydrophobicContact CB-CD1 4.16Å; L152-I157 HydrophobicContact CB-CG1 3.61Å; L152-I157 HydrophobicContact CD1-CG1 4.08Å; N153-I157 WeakPolarHBondContact O-CG1 3.21Å; N153-I157 PolarHBondContact O-N 2.95Å; I157-A159 PolarHBondContact O-N 3.13Å; I157-R160 PolarHBondContact O-N 3.32Å; I157-A161 WeakPolarHBondContact O-CB 3.49Å; I157-A161 PolarHBondContact O-N 3.07Å
158L94.9Very high86.5Confident17 Ų1772.3 Ų72.39%0.08938%0.376CS..Hα-helixtrans-62.4-40.9177.5177.2143.2000112L109 F131 L154 A155 E156 R160 A161 R162L109-L158 HydrophobicContact CB-CD1 4.11Å; L109-L158 HydrophobicContact CD2-CD1 3.36Å; L109-L158 HydrophobicContact CG-CD1 4.38Å; F131-L158 HydrophobicContact CZ-CB 4.47Å; L154-L158 WeakPolarHBondContact O-CB 3.41Å; L154-L158 PolarHBondContact O-N 3.24Å; A155-L158 PolarHBondContact O-N 3.35Å; E156-L158 VanDerWaalsContact C-N 3.35Å; E156-L158 PolarHBondContact O-N 3.42Å; L158-R160 PolarHBondContact O-N 2.86Å; L158-A161 PolarHBondContact O-N 3.19Å; L158-R162 VanDerWaalsContact CD2-NE 3.32Å; L158-R162 WeakPolarHBondContact O-CG 3.13Å; L158-R162 PolarHBondContact O-N 3.14Å
159A93.8Very high85.7Confident41 Ų4168.6 Ų68.634%0.33939%0.387SS..Hα-helixtrans-60.8-43.3176.300000112.3A155 E156 I157 A163A155-A159 WeakPolarHBondContact O-CB 3.44Å; A155-A159 PolarHBondContact O-N 3.2Å; E156-A159 PolarHBondContact O-N 3.43Å; I157-A159 PolarHBondContact O-N 3.13Å; A159-A163 PolarHBondContact O-N 3.5Å
160R92.1Very high84.4Confident85 Ų8569.8 Ų69.832%0.32141%0.406SS..Hα-helixtrans-68.1-42.4176.5-68.7179.1-176.4-165.3-0112.4L143 C147 L152 E156 I157 L158 R162 A163 I164L143-R160 HydrophobicContact CD2-CB 3.44Å; L143-R160 VanDerWaalsContact CD2-CB 3.44Å; C147-R160 PolarHBondContact SG-NH1 3.17Å; C147-R160 PolarHBondContact SG-NH2 3.19Å; L152-R160 VanDerWaalsContact CD1-NH1 3.34Å; L152-R160 VanDerWaalsContact CD2-CZ 3.41Å; L152-R160 VanDerWaalsContact CD2-NH2 3.35Å; E156-R160 WeakPolarHBondContact O-CG 3.45Å; E156-R160 PolarHBondContact O-N 2.82Å; I157-R160 PolarHBondContact O-N 3.32Å; L158-R160 PolarHBondContact O-N 2.86Å; R160-R162 VanDerWaalsContact C-N 3.32Å; R160-R162 PolarHBondContact O-N 3.11Å; R160-A163 WeakPolarHBondContact O-CB 3.28Å; R160-A163 PolarHBondContact O-N 3.18Å; R160-A163 VanDerWaalsContact O-N 3.16Å; R160-I164 WeakPolarHBondContact O-CG1 3.5Å; R160-I164 PolarHBondContact O-N 3.36Å
161A93.2Very high82.8Confident0 Ų068.8 Ų68.80%040%0.404CS..Hα-helixtrans-59.7-43.2178.100000111.6F131 L135 L143 I157 L158 A163 I164 L165F131-A161 HydrophobicContact CE1-CB 3.8Å; F131-A161 HydrophobicContact CZ-CB 3.95Å; L135-A161 HydrophobicContact CD1-CB 4.23Å; L143-A161 HydrophobicContact CD1-CB 4.48Å; I157-A161 WeakPolarHBondContact O-CB 3.49Å; I157-A161 PolarHBondContact O-N 3.07Å; L158-A161 PolarHBondContact O-N 3.19Å; A161-A163 PolarHBondContact O-N 3.07Å; A161-I164 PolarHBondContact O-N 3.38Å; A161-L165 WeakPolarHBondContact O-CB 3.49Å; A161-L165 WeakPolarHBondContact O-CG 3.23Å; A161-L165 PolarHBondContact O-N 3.38Å
162R94.2Very high81Confident107 Ų10766.7 Ų66.740%0.40441%0.409SS..Hα-helixtrans-57.2-47.2173.1-73.2-177.7-63.3168.7-2.7112.1P105 D106 L158 R160 I164 L165 T166P105-R162 HydrophobicContact CB-CG 4.22Å; P105-R162 HydrophobicContact CG-CG 4.1Å; D106-R162 WeakPolarHBondContact OD2-CD 3.35Å; L158-R162 VanDerWaalsContact CD2-NE 3.32Å; L158-R162 WeakPolarHBondContact O-CG 3.13Å; L158-R162 PolarHBondContact O-N 3.14Å; R160-R162 VanDerWaalsContact C-N 3.32Å; R160-R162 PolarHBondContact O-N 3.11Å; R162-I164 VanDerWaalsContact C-N 3.35Å; R162-I164 PolarHBondContact O-N 3.37Å; R162-L165 PolarHBondContact O-N 3.01Å; R162-T166 WeakPolarHBondContact O-CB 3.34Å; R162-T166 PolarHBondContact O-N 2.89Å; R162-T166 PolarHBondContact O-OG1 2.88Å
163A92.4Very high79Confident68 Ų6874.1 Ų74.156%0.56245%0.449SS*.Hα-helixtrans-62.4-40.7179.200000112.5A159 R160 A161A159-A163 PolarHBondContact O-N 3.5Å; R160-A163 WeakPolarHBondContact O-CB 3.28Å; R160-A163 PolarHBondContact O-N 3.18Å; R160-A163 VanDerWaalsContact O-N 3.16Å; A161-A163 PolarHBondContact O-N 3.07Å
164I91.2Very high76.8Confident34 Ų3474 Ų7417%0.17446%0.457CS..Hα-helixtrans-67.3-45.7178.5-66.6161.3000111V139 L142 L143 R160 A161 R162 R167V139-I164 HydrophobicContact CB-CG2 4.36Å; V139-I164 HydrophobicContact CG1-CB 4.33Å; V139-I164 HydrophobicContact CG1-CD1 4.4Å; V139-I164 HydrophobicContact CG1-CG2 3.96Å; V139-I164 HydrophobicContact CG2-CG2 4.16Å; L142-I164 HydrophobicContact CB-CD1 3.77Å; L142-I164 HydrophobicContact CB-CG1 4.27Å; L142-I164 HydrophobicContact CB-CG2 4.26Å; L142-I164 HydrophobicContact CD1-CG2 3.63Å; L143-I164 HydrophobicContact CD2-CD1 3.72Å; L143-I164 HydrophobicContact CG-CD1 3.79Å; R160-I164 WeakPolarHBondContact O-CG1 3.5Å; R160-I164 PolarHBondContact O-N 3.36Å; A161-I164 PolarHBondContact O-N 3.38Å; R162-I164 VanDerWaalsContact C-N 3.35Å; R162-I164 PolarHBondContact O-N 3.37Å; I164-R167 WeakPolarHBondContact O-CB 3.37Å; I164-R167 PolarHBondContact O-N 2.97Å
165L89.8Confident74.7Confident68 Ų6879.2 Ų79.236%0.35649%0.493SS..Hα-helixtrans-73.6-25.1-175.9-74.9164.9000113.9L99 P105 V139 A161 R162 R167L99-L165 HydrophobicContact CD2-CD1 3.66Å; P105-L165 HydrophobicContact CG-CD1 3.47Å; P105-L165 VanDerWaalsContact CG-CD1 3.47Å; V139-L165 HydrophobicContact CG1-CG 4.5Å; V139-L165 HydrophobicContact CG2-CD2 3.75Å; V139-L165 HydrophobicContact CG2-CG 4.23Å; A161-L165 WeakPolarHBondContact O-CB 3.49Å; A161-L165 WeakPolarHBondContact O-CG 3.23Å; A161-L165 PolarHBondContact O-N 3.38Å; R162-L165 PolarHBondContact O-N 3.01Å; L165-R167 VanDerWaalsContact C-N 3.27Å
166T87.9Confident72.4Confident117 Ų11784.9 Ų84.972%0.71851%0.513SS*.Hα-helixtrans-75.7-19.4175.7-550000111.7R162R162-T166 WeakPolarHBondContact O-CB 3.34Å; R162-T166 PolarHBondContact O-N 2.89Å; R162-T166 PolarHBondContact O-OG1 2.88Å
167R76Confident70.1Confident145 Ų14584.6 Ų84.655%0.54753%0.532SS..SBendtrans-68.9126-178.9-172171.861.4178.3-0.6109.5I164 L165 A169I164-R167 WeakPolarHBondContact O-CB 3.37Å; I164-R167 PolarHBondContact O-N 2.97Å; L165-R167 VanDerWaalsContact C-N 3.27Å; R167-A169 PolarHBondContact O-N 3.4Å
168P58.6Low67.8Low97 Ų9789 Ų8963%0.6357%0.569SS**  trans-57.8135.117322.6-31000109A170P168-A170 PolarHBondContact O-N 3.27Å
169A59.3Low65.5Low113 Ų11399.7 Ų99.793%0.93461%0.609SS**SBendtrans-61.311.4179.700000114.6R167R167-A169 PolarHBondContact O-N 3.4Å
170A42.3Very low63.2Low81 Ų81106.6 Ų106.667%0.66963%0.634SS**  trans-103.859.3-173.800000111.8P168P168-A170 PolarHBondContact O-N 3.27Å
171V43.2Very low61.1Low105 Ų105108.2 Ų108.264%0.63666%0.658SS**  trans-155.883.3140.9-162.10000107.9A174V171-A174 HydrophobicContact CG1-CB 3.52Å
172G43.2Very low58.8Low71 Ų71111.6 Ų111.673%0.73269%0.693SS**THydrogen-bonded Turntrans-57135146.600000107.3
173D42.4Very low56.4Low178 Ų178112.9 Ų112.995%0.95272%0.715SS**THydrogen-bonded Turntrans83.124.8171.9-81.3-10.8000121.6
174A43.3Very low54Low64 Ų64116.3 Ų116.353%0.52973%0.729SS.*  trans-137.689.4167.400000113.5V171V171-A174 HydrophobicContact CG1-CB 3.52Å
175C49.8Very low51.7Low119 Ų119118.7 Ų118.780%0.80475%0.754SS**SBendtrans-178.338.2142.8-94.50000115.2
176L45.5Very low49.3Very low186 Ų186124.3 Ų124.397%0.97478%0.779SS**  trans-123.354.8153.4-69.2179.4000109.5A178L176-A178 PolarHBondContact O-N 2.83Å
177G44.6Very low47Very low76 Ų76123.8 Ų123.878%0.78478%0.775SS**  trans-93.771.9176.200000111.6R179G177-R179 VanDerWaalsContact C-N 3.28Å; G177-R179 PolarHBondContact O-N 2.83Å
178A46Very low45.4Very low97 Ų97122.9 Ų122.980%0.80279%0.787SS**  trans-87.876.8150.400000107.7L176L176-A178 PolarHBondContact O-N 2.83Å
179R47.7Very low45Very low242 Ų242124.8 Ų124.891%0.91380%0.796SS**SBendtrans-168.8132.8151.4-105.6160.1-172.8-150.1-0.8110.5G177G177-R179 VanDerWaalsContact C-N 3.28Å; G177-R179 PolarHBondContact O-N 2.83Å
180Q44.6Very low44.7Very low185 Ų185124 Ų12486%0.86478%0.781SS**  trans-68.6144.1-169.8-58.6167.42700111
181S47.1Very low45.8Very low119 Ų119122 Ų12283%0.83277%0.769SS**  trans87.1114.5146.9-49.60000119.8
182G45.9Very low47.2Very low72 Ų72122.2 Ų122.274%0.74277%0.766SS**  trans114135.7130.700000117.1
183P44.1Very low49.1Very low134 Ų134127 Ų12787%0.8776%0.762SS**  trans-80.6149.4-160.333.4-35.3000115.2
184T42Very low51.1Low139 Ų139118.7 Ų118.785%0.85372%0.717SS**  trans-64.2124.6-175.1-39.20000114.1
185A43.1Very low52.9Low85 Ų85126.7 Ų126.770%0.70274%0.736SS**  trans-125.1104.6151.600000108.3
186Q37.9Very low54.4Low185 Ų185123.9 Ų123.986%0.86472%0.721SS**  trans36.686.9153.6-58.9-179.4-5.100117.1T188Q186-T188 PolarHBondContact O-N 3.01Å
187T39.9Very low56.4Low106 Ų106117.9 Ų117.965%0.6569%0.694SS**  trans-99.187.7171.1-50.80000110.7V189 P190T187-V189 PolarHBondContact O-N 3.29Å; T187-P190 HydrophobicContact CG2-CG 3.58Å
188T42.5Very low58.3Low127 Ų127116 Ų11678%0.77968%0.675SS**  trans-47.2125.3140.440.20000108.8Q186 P190Q186-T188 PolarHBondContact O-N 3.01Å; T188-P190 WeakPolarHBondContact O-CD 3.48Å
189V50Low60Low136 Ų136112.3 Ų112.382%0.82465%0.646SS**  trans-34.3107.7180-1750000111.1T187 G191T187-V189 PolarHBondContact O-N 3.29Å; V189-G191 PolarHBondContact O-N 3.3Å; V189-G191 VanDerWaalsContact O-N 3.08Å
190P54.1Low61.8Low97 Ų97104.6 Ų104.663%0.6363%0.627SS**  trans-79.6103.6178.215.30.4000106.1T187 T188 L192T187-P190 HydrophobicContact CG2-CG 3.58Å; T188-P190 WeakPolarHBondContact O-CD 3.48Å; P190-L192 PolarHBondContact O-N 2.98Å
191G64.9Low63.2Low40 Ų40102.5 Ų102.541%0.41262%0.622SS.*  trans-46.8134.3175.900000110.8V189 R193V189-G191 PolarHBondContact O-N 3.3Å; V189-G191 VanDerWaalsContact O-N 3.08Å; G191-R193 PolarHBondContact O-N 3.28Å; G191-R193 VanDerWaalsContact O-N 3.16Å
192L72.1Confident65Low108 Ų10899.2 Ų99.257%0.56559%0.593SS**  trans-45122.9178-10078.1000110.1P190 P200 N201 F203P190-L192 PolarHBondContact O-N 2.98Å; L192-P200 CarbonylContact O-C 3.53Å; L192-P200 WeakPolarHBondContact O-CA 3.43Å; L192-N201 PolarHBondContact O-N 2.92Å; L192-F203 HydrophobicContact CD2-CD1 4.39Å; L192-F203 HydrophobicContact CD2-CE1 3.49Å; L192-F203 VanDerWaalsContact CD2-CE1 3.49Å; L192-F203 HydrophobicContact CD2-CZ 3.66Å
193R83.4Confident66.7Low172 Ų172101 Ų10165%0.64958%0.581SS**BIsolated β-bridgetrans-105.2144.2173.8-66.2179.2-178-93.51.8110.3G191 Y195 G198 G199G191-R193 PolarHBondContact O-N 3.28Å; G191-R193 VanDerWaalsContact O-N 3.16Å; R193-Y195 PolarHBondContact O-N 3.13Å; R193-G198 PolarHBondContact NH1-O 3.48Å; R193-G199 CarbonylContact C-O 3.53Å; R193-G199 WeakPolarHBondContact CA-O 3.44Å
194C85.3Confident68.6Low3 Ų397 Ų972%0.0256%0.559CS.*  trans-67.7127.8172.6174.40000110.6A196 G198 G199 H202C194-A196 PolarHBondContact O-N 3.22Å; C194-A196 PolarHBondContact SG-N 3.39Å; C194-A196 VanDerWaalsContact SG-N 3.4Å; C194-G198 VanDerWaalsContact O-CA 3.26Å; C194-G198 WeakPolarHBondContact O-CA 3.46Å; C194-G198 PolarHBondContact O-N 3.46Å; C194-G199 WeakPolarHBondContact CB-O 3.4Å; C194-G199 PolarHBondContact N-O 3.24Å; C194-H202 WeakPolarHBondContact CA-O 3.46Å; C194-H202 WeakPolarHBondContact CB-CE1 3.45Å; C194-H202 WeakPolarHBondContact CB-NE2 3.2Å; C194-H202 WeakPolarHBondContact CB-O 3.49Å; C194-H202 PolarHBondContact SG-NE2 2.69Å
195Y81.6Confident70.6Confident232 Ų23299.9 Ų99.991%0.9155%0.554SS**THydrogen-bonded Turntrans-65.6-19.8177.8-95.6-90.5000114.3R193R193-Y195 PolarHBondContact O-N 3.13Å
196A81.3Confident72.4Confident60 Ų60100 Ų10050%0.49654%0.543SS..THydrogen-bonded Turntrans-89.3-36.7-177.900000113.6C194 A204 C207C194-A196 PolarHBondContact O-N 3.22Å; C194-A196 PolarHBondContact SG-N 3.39Å; C194-A196 VanDerWaalsContact SG-N 3.4Å; A196-A204 HydrophobicContact CB-CB 4.38Å; A196-C207 HydrophobicContact CB-CB 4.35Å
197C87Confident74.7Confident61 Ų6191.5 Ų91.541%0.41250%0.504SS..THydrogen-bonded Turntrans-124.7-5.1-175.571.60000114.9G199 H202 C207 A209C197-G199 PolarHBondContact O-N 3.23Å; C197-G199 PolarHBondContact SG-N 2.98Å; C197-G199 VanDerWaalsContact SG-N 3.36Å; C197-H202 PolarHBondContact SG-CE1 3.23Å; C197-H202 PolarHBondContact SG-NE2 3.47Å; C197-H202 VanDerWaalsContact SG-NE2 3.38Å; C197-C207 PolarHBondContact SG-SG 3.45Å; C197-A209 HydrophobicContact CB-CB 4.16Å
198G83.8Confident76.6Confident37 Ų3792.3 Ų92.338%0.38150%0.504SS..  trans72.50.1-175.500000115.3R193 C194R193-G198 PolarHBondContact NH1-O 3.48Å; C194-G198 VanDerWaalsContact O-CA 3.26Å; C194-G198 WeakPolarHBondContact O-CA 3.46Å; C194-G198 PolarHBondContact O-N 3.46Å
199G81.6Confident77.8Confident18 Ų1888.8 Ų88.819%0.18649%0.487CS..  trans-70.4145.8-179.100000112.8R193 C194 C197R193-G199 CarbonylContact C-O 3.53Å; R193-G199 WeakPolarHBondContact CA-O 3.44Å; C194-G199 WeakPolarHBondContact CB-O 3.4Å; C194-G199 PolarHBondContact N-O 3.24Å; C197-G199 PolarHBondContact O-N 3.23Å; C197-G199 PolarHBondContact SG-N 2.98Å; C197-G199 VanDerWaalsContact SG-N 3.36Å
200P85.5Confident78.4Confident81 Ų8186.6 Ų86.653%0.52647%0.474SS..BIsolated β-bridgetrans-72.2161.3179.230.5-34.6000112.5L192 H202L192-P200 CarbonylContact O-C 3.53Å; L192-P200 WeakPolarHBondContact O-CA 3.43Å; P200-H202 PolarHBondContact O-N 2.97Å; P200-H202 PolarHBondContact O-ND1 3.05Å; P200-H202 VanDerWaalsContact O-ND1 3.15Å
201N74.1Confident78.7Confident140 Ų14091.3 Ų91.375%0.74948%0.48SS*.SBendtrans60.333.2164-62.6-24.8000116.8L192L192-N201 PolarHBondContact O-N 2.92Å
202H85.4Confident78.4Confident50 Ų5096.1 Ų96.123%0.23149%0.491CS..  trans-155.8158.8165.266.7-73.6000112C194 C197 P200 D206C194-H202 WeakPolarHBondContact CA-O 3.46Å; C194-H202 WeakPolarHBondContact CB-CE1 3.45Å; C194-H202 WeakPolarHBondContact CB-NE2 3.2Å; C194-H202 WeakPolarHBondContact CB-O 3.49Å; C194-H202 PolarHBondContact SG-NE2 2.69Å; C197-H202 PolarHBondContact SG-CE1 3.23Å; C197-H202 PolarHBondContact SG-NE2 3.47Å; C197-H202 VanDerWaalsContact SG-NE2 3.38Å; P200-H202 PolarHBondContact O-N 2.97Å; P200-H202 PolarHBondContact O-ND1 3.05Å; P200-H202 VanDerWaalsContact O-ND1 3.15Å; H202-D206 HydrophobicContact CB-CB 4.41Å
203F81.8Confident77.5Confident110 Ų11098.4 Ų98.448%0.48250%0.504SS..  trans-89.3158.7174.9-63.3-79.7000111.2L192 R205 D206 C207L192-F203 HydrophobicContact CD2-CD1 4.39Å; L192-F203 HydrophobicContact CD2-CE1 3.49Å; L192-F203 VanDerWaalsContact CD2-CE1 3.49Å; L192-F203 HydrophobicContact CD2-CZ 3.66Å; F203-R205 HydrophobicContact CB-CG 4.02Å; F203-R205 PolarHBondContact O-N 3.36Å; F203-D206 WeakPolarHBondContact O-CA 3.47Å; F203-D206 PolarHBondContact O-N 3.06Å; F203-C207 PolarHBondContact O-N 2.97Å
204A84.1Confident76.1Confident50 Ų5095 Ų9541%0.41351%0.507SS..G310 helixtrans-55.2-29.3179.200000113.9A196 D206 C207A196-A204 HydrophobicContact CB-CB 4.38Å; A204-D206 VanDerWaalsContact C-N 3.26Å; A204-D206 PolarHBondContact O-N 3.14Å; A204-C207 WeakPolarHBondContact O-CB 3.47Å; A204-C207 PolarHBondContact O-N 3.25Å
205R82.5Confident74Confident200 Ų20099.3 Ų99.376%0.75554%0.537SS*.G310 helixtrans-66.4-25.8174.671.4-177.1-179.7-172-4.2113.9F203F203-R205 HydrophobicContact CB-CG 4.02Å; F203-R205 PolarHBondContact O-N 3.36Å
206D81.9Confident72.5Confident88 Ų8894.4 Ų94.447%0.47153%0.531SS..G310 helixtrans-103.89.3-175.6-56.7-51000111.4H202 F203 A204 L208H202-D206 HydrophobicContact CB-CB 4.41Å; F203-D206 WeakPolarHBondContact O-CA 3.47Å; F203-D206 PolarHBondContact O-N 3.06Å; A204-D206 VanDerWaalsContact C-N 3.26Å; A204-D206 PolarHBondContact O-N 3.14Å; D206-L208 PolarHBondContact O-N 3.36Å
207C85.4Confident70.6Confident6 Ų696.9 Ų96.94%0.04155%0.545CS..  trans-76.3112.1-176-165.90000111.8A196 C197 F203 A204 A209 T210A196-C207 HydrophobicContact CB-CB 4.35Å; C197-C207 PolarHBondContact SG-SG 3.45Å; F203-C207 PolarHBondContact O-N 2.97Å; A204-C207 WeakPolarHBondContact O-CB 3.47Å; A204-C207 PolarHBondContact O-N 3.25Å; C207-A209 PolarHBondContact O-N 3.03Å; C207-T210 PolarHBondContact O-N 3.15Å
208L79.6Confident68.5Low123 Ų123101.9 Ų101.964%0.64457%0.567SS**Hα-helixtrans-66.9-21.4176.2-63.5177.4000113D206 T210 R211D206-L208 PolarHBondContact O-N 3.36Å; L208-T210 VanDerWaalsContact C-N 3.32Å; L208-T210 PolarHBondContact O-N 2.98Å; L208-R211 PolarHBondContact O-N 3.36Å
209A68.4Low66.5Low52 Ų52111.7 Ų111.743%0.4359%0.593SS.*Hα-helixtrans-65.9-33.2178.100000112.5C197 C207 R211 Q212C197-A209 HydrophobicContact CB-CB 4.16Å; C207-A209 PolarHBondContact O-N 3.03Å; A209-R211 VanDerWaalsContact C-N 3.28Å; A209-R211 PolarHBondContact O-N 3.43Å; A209-Q212 PolarHBondContact O-N 2.77Å
210T63.3Low64.5Low91 Ų91114.1 Ų114.156%0.55862%0.618SS**Hα-helixtrans-70.8-25.4177-47.50000112.2C207 L208C207-T210 PolarHBondContact O-N 3.15Å; L208-T210 VanDerWaalsContact C-N 3.32Å; L208-T210 PolarHBondContact O-N 2.98Å
211R59.4Low62.6Low196 Ų196118.6 Ų118.674%0.7464%0.638SS**Hα-helixtrans-82.6-14.5178.6-71.7-171.1177.3-165.70.4113.9L208 A209 S214L208-R211 PolarHBondContact O-N 3.36Å; A209-R211 VanDerWaalsContact C-N 3.28Å; A209-R211 PolarHBondContact O-N 3.43Å; R211-S214 PolarHBondContact O-OG 3.04Å
212Q59.8Low61Low140 Ų140114.9 Ų114.965%0.65463%0.632SS**Hα-helixtrans-94.4-16-176.9-69.6-177.58.800113.8A209 S215A209-Q212 PolarHBondContact O-N 2.77Å; Q212-S215 PolarHBondContact O-OG 3.35Å
213N53Low59.3Low156 Ų156121.1 Ų121.183%0.83466%0.661SS**THydrogen-bonded Turntrans-85.8-2176-92.215.3000114.7
214S52.8Low57.5Low102 Ų102121.3 Ų121.371%0.71367%0.667SS**THydrogen-bonded Turntrans-92.413.2174.743.50000113.9R211R211-S214 PolarHBondContact O-OG 3.04Å
215S41.5Very low55.8Low92 Ų92124.6 Ų124.664%0.64368%0.677SS**  trans-117.361179.662.30000112.7Q212Q212-S215 PolarHBondContact O-OG 3.35Å
216V50.7Low53.9Low129 Ų129125.3 Ų125.378%0.78268%0.68SS**  trans-140.196158.4-175.40000109.1
217S40.7Very low52Low113 Ų113129.3 Ų129.379%0.7970%0.695SS**  trans20.9108.2140.7-49.60000118.4
218N43.2Very low50.3Low166 Ų166135 Ų13589%0.88873%0.732SS**  trans-137.2118137.1-147.25.4000110.1
219R41.8Very low48.3Very low242 Ų242134.7 Ų134.791%0.91374%0.735SS**  trans-84.4137174.6-67.4176.8172.5-178-2.8107.4
220G40.5Very low47.3Very low70 Ų70143.8 Ų143.872%0.72276%0.758SS**  trans154.694.2165.500000114.6
221D43.7Very low46.4Very low175 Ų175145.5 Ų145.594%0.93676%0.764SS**  trans51.4124.8146.3-80.7-31.4000123.1
222G40.6Very low45.7Very low62 Ų62147 Ų14764%0.63977%0.77SS**  117.4106.512200000117.7
223H50.6Low44.8Very low180 Ų180144 Ų14483%0.83378%0.776SS**  trans69141.8151.9-71.9-80.9000118.1
224D43.7Very low44.5Very low115 Ų115141 Ų14162%0.61577%0.768SS**  cis-172.2147.5-13.9-138.2-27.8000105.3
225L48.2Very low44.4Very low118 Ų118146.3 Ų146.362%0.61877%0.772SS**  trans68.9107.6151.7-52.5-178.3000122.9
226R43.1Very low44.7Very low216 Ų216151.8 Ų151.882%0.81578%0.779SS**  96.3105.7117.5-70.8173.6-173.2-178.24.7120.1
227H41.9Very low44.3Very low172 Ų172157.4 Ų157.480%0.79679%0.786SS**  trans-50.4156.9145.8-82.5-81000112.8
228P48.9Very low44.2Very low125 Ų125155.9 Ų155.981%0.81279%0.788SS**  -140.7136.3106.426.4-7.7000115.5
229V39.3Very low43.9Very low117 Ų117153 Ų15371%0.70979%0.788SS**  trans-75.8130.2159169.60000109.4
230R46.9Very low44Very low243 Ų243145.7 Ų145.792%0.91778%0.778SS**  trans-163.498155.8-98.5-179.3-176.2-173.40.3106.5
231N44.6Very low44Very low127 Ų127149 Ų14968%0.67979%0.785SS**  71120.463.1-139.42.6000114.4
232R43.7Very low43.6Very low227 Ų227145.8 Ų145.886%0.85778%0.776SS**  trans93.8118.2149.3-62.5-173.3177.9169.8-1.8121.6
233G40.9Very low43.8Very low77 Ų77148.8 Ų148.879%0.79479%0.786SS**  trans104.7136.613600000113.6
234S47.5Very low43.2Very low94 Ų94148.2 Ų148.266%0.65779%0.788SS**  cis180130.915.8175.30000108.4
235R49.4Very low43.3Very low213 Ų213151.7 Ų151.780%0.80480%0.8SS**  trans65.4142.6142-68.4174.3-170.5-175.3-0117.7
236R48Very low42.8Very low206 Ų206154.2 Ų154.278%0.77781%0.809SS**  cis-165.913420.3-115.3162.3-175-124.33.8106
237R43Very low43.1Very low248 Ų248151.3 Ų151.394%0.93681%0.81SS**  46.1131.9101.8-76.3-174.3-178.6-130.31.1114.5
238G38.4Very low43.4Very low80 Ų80151 Ų15183%0.82581%0.809SS**  cis179174.713.600000112.5
239A37.9Very low43.1Very low107 Ų107148.9 Ų148.988%0.88480%0.802SS**  trans-79.1152.9179.100000113.7
240A42.5Very low43.6Very low87 Ų87155 Ų15572%0.71981%0.813SS**  trans169.9108.8141.500000108.9
241T41.1Very low44.1Very low139 Ų139149.7 Ų149.785%0.85381%0.807SS**  42.1119.695.636.40000117.7
242S35.7Very low44.2Very low109 Ų109152.6 Ų152.676%0.76282%0.816SS**  trans63.8119.6142.1174.30000119.2
243C44.4Very low44.2Very low124 Ų124150.6 Ų150.684%0.83882%0.817SS**  -164118.3118.4-93.40000110.2
244L38.5Very low44.6Very low169 Ų169153.1 Ų153.189%0.88582%0.822SS**  trans-62139.1153.4-73.8154.3000108.4
245Q45.2Very low45Very low187 Ų187152.9 Ų152.987%0.87483%0.826SS**  trans-156.5120.5144-156.9148.813.300111.6
246E38.1Very low44.9Very low172 Ų172148 Ų14880%0.80482%0.821SS**  trans-63150167.9-64.7157.912000111.5
247N48.6Very low45.3Very low154 Ų154142.4 Ų142.482%0.82482%0.819SS**  trans173.7145.2145.4-92.7-14.6000108.2
248E49.5Very low45.8Very low165 Ų165139.8 Ų139.877%0.77182%0.815SS**  cis-173.9141.2-19.5-107.5-88.5110.400102.2
249A41.3Very low46.7Very low82 Ų82145.1 Ų145.168%0.67882%0.816SS**  trans22.7122.9150.800000121.1
250R50.2Low47.9Very low246 Ų246145.8 Ų145.893%0.92881%0.811SS**  trans-148.593.2141.6-154.9173.9-139.5-122.71.9113.8
251V56.5Low48.6Very low131 Ų131153.1 Ų153.179%0.79482%0.82SS**  trans21.4131.8137.4-175.90000120.2
252E48Very low49.3Very low187 Ų187153.6 Ų153.687%0.87482%0.818SS**  trans-34.2141.1165.5-67.3-172.3102.500117.7
253E44.3Very low50.2Low186 Ų186160.9 Ų160.987%0.86984%0.839SS**  trans-153.9111.8143-162169167.800109.6
254S49.4Very low50.5Low129 Ų129162.7 Ų162.790%0.90284%0.839SS**  trans-149.2101.6161.3-78.60000109.5
255A54.4Low51.1Low90 Ų90162.4 Ų162.474%0.74484%0.837SS**PPolyproline II helixtrans-88.4165.1172.100000110.7
256P47.8Very low51.4Low109 Ų109161 Ų16171%0.70884%0.835SS**PPolyproline II helixtrans-91.1152.9-145.835.5-35000114.4F258P256-F258 PolarHBondContact O-N 3.47Å
257A56.7Low52.2Low89 Ų89160.4 Ų160.474%0.73684%0.837SS**PPolyproline II helixtrans-77.6116.717000000111
258F52.7Low52.4Low194 Ų194160.8 Ų160.885%0.85184%0.837SS**PPolyproline II helixtrans-75.2133.8161.5-94.5-99.8000109.9P256P256-F258 PolarHBondContact O-N 3.47Å
259F57.8Low52.6Low191 Ų191160.5 Ų160.584%0.83884%0.842SS**PPolyproline II helixtrans-103.6132.1164.1-74-83.4000109.7
260P62.6Low53.4Low121 Ų121166.1 Ų166.179%0.78685%0.853SS**PPolyproline II helixtrans-83.7133.9162.7-0.919.8000110.2
261R57Low53.7Low241 Ų241159.9 Ų159.991%0.90985%0.848SS**PPolyproline II helixtrans-87.6128.8160.4-96.1-172.6171.7179.9-2.9108.6
262D56.6Low53.5Low150 Ų150162.3 Ų162.380%0.80285%0.852SS**  trans-106.5144153.9-87.3-48.8000108.4
263H54.2Low54Low261 Ų261160.1 Ų160.1100%1.20885%0.85SS**  trans97.10-172.9-56.8-34.9000116.8

Retrieved 263 of 263 residues in 177.7 ms (Link to these results)

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