A0A5K4F6G2_SCHMA Loading...

V-type proton ATPase subunit a

AlphaFold DB , UniProt , Accession A0A5K4F6G2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 111 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
1M58.8Low69.4Low205 Ų20590.9 Ų90.9100%1.0147%0.473SS*.  0-48.20-74.9177.2171.400112.2G3 F4 C5M1-G3 PolarHBondContact O-N 3.15Å; M1-F4 WeakPolarHBondContact O-CB 3.4Å; M1-F4 PolarHBondContact O-N 3.1Å; M1-F4 VanDerWaalsContact O-N 3.09Å; M1-C5 PolarHBondContact O-N 3.31Å
2Y57.4Low69.6Low199 Ų19984.3 Ų84.378%0.7844%0.439SS*.Hα-helixtrans-51.2-53.7-177.8-162.6-94000114.6F4 C5 E6Y2-F4 VanDerWaalsContact C-N 3.3Å; Y2-F4 PolarHBondContact O-N 3.17Å; Y2-C5 PolarHBondContact O-N 2.82Å; Y2-C5 VanDerWaalsContact O-N 3.15Å; Y2-E6 PolarHBondContact O-N 3Å
3G71.2Confident69.7Low41 Ų4181.6 Ų81.642%0.42343%0.425SS..Hα-helixtrans-67-26179.300000115M1 T7M1-G3 PolarHBondContact O-N 3.15Å; G3-T7 PolarHBondContact O-N 3.3Å; G3-T7 PolarHBondContact O-OG1 3.37Å
4F73.8Confident70Confident113 Ų11384.2 Ų84.250%0.49643%0.434SS..Hα-helixtrans-70.3-41.2173.5175.9-96.1000110.8M1 Y2 T7 L8 V47M1-F4 WeakPolarHBondContact O-CB 3.4Å; M1-F4 PolarHBondContact O-N 3.1Å; M1-F4 VanDerWaalsContact O-N 3.09Å; Y2-F4 VanDerWaalsContact C-N 3.3Å; Y2-F4 PolarHBondContact O-N 3.17Å; F4-T7 WeakPolarHBondContact O-CB 3.35Å; F4-T7 PolarHBondContact O-N 3.01Å; F4-L8 HydrophobicContact CD1-CD1 3.94Å; F4-L8 HydrophobicContact CD1-CG 4.38Å; F4-L8 HydrophobicContact CE1-CD1 3.2Å; F4-L8 HydrophobicContact CE1-CG 3.87Å; F4-L8 HydrophobicContact CZ-CD1 3.6Å; F4-L8 HydrophobicContact CZ-CD2 4.3Å; F4-L8 HydrophobicContact CZ-CG 3.96Å; F4-L8 PolarHBondContact O-N 3.16Å; F4-V47 HydrophobicContact CD1-CG1 4.11Å; F4-V47 HydrophobicContact CE1-CB 4.46Å; F4-V47 HydrophobicContact CE1-CG1 3.51Å
5C70Confident70Confident22 Ų2282.9 Ų82.915%0.14943%0.428CS..Hα-helixtrans-70-38.7178.3-73.50000113.1M1 Y2 T7 L8 H9 F44 C48M1-C5 PolarHBondContact O-N 3.31Å; Y2-C5 PolarHBondContact O-N 2.82Å; Y2-C5 VanDerWaalsContact O-N 3.15Å; C5-T7 VanDerWaalsContact C-N 3.3Å; C5-T7 PolarHBondContact O-N 3.45Å; C5-L8 PolarHBondContact O-N 3.27Å; C5-H9 VanDerWaalsContact O-CB 3.27Å; C5-H9 WeakPolarHBondContact O-CB 3.4Å; C5-H9 PolarHBondContact O-N 3.07Å; C5-F44 WeakPolarHBondContact O-CE2 3.33Å; C5-C48 WeakPolarHBondContact CA-SG 2.9Å; C5-C48 HydrophobicContact CB-CB 3.62Å; C5-C48 WeakPolarHBondContact CB-SG 3.32Å; C5-C48 WeakPolarHBondContact SG-CA 3.01Å; C5-C48 WeakPolarHBondContact SG-CB 2.98Å; C5-C48 CovalentContact SG-SG 2.04Å; C5-C48 PolarHBondContact SG-SG 3.18Å
6E71.6Confident70Confident118 Ų11878.9 Ų78.955%0.55141%0.408SS*.Hα-helixtrans-59-43.1171.5-172.4173.3-165.300111.7Y2 H9 V10Y2-E6 PolarHBondContact O-N 3Å; E6-H9 WeakPolarHBondContact O-CB 3.31Å; E6-H9 PolarHBondContact O-N 3.38Å; E6-V10 WeakPolarHBondContact O-CG2 3.43Å; E6-V10 PolarHBondContact O-N 3.35Å
7T74.3Confident69.9Low98 Ų9879.9 Ų79.960%0.60141%0.411SS*.Hα-helixtrans-61.9-46.9176.1-56.20000111.9G3 F4 C5 H9 V10 S11G3-T7 PolarHBondContact O-N 3.3Å; G3-T7 PolarHBondContact O-OG1 3.37Å; F4-T7 WeakPolarHBondContact O-CB 3.35Å; F4-T7 PolarHBondContact O-N 3.01Å; C5-T7 VanDerWaalsContact C-N 3.3Å; C5-T7 PolarHBondContact O-N 3.45Å; T7-H9 VanDerWaalsContact C-N 3.3Å; T7-H9 PolarHBondContact O-N 3.43Å; T7-V10 PolarHBondContact O-N 3.3Å; T7-S11 PolarHBondContact O-N 2.04Å
8L69.7Low69.8Low33 Ų3384.8 Ų84.817%0.17342%0.423CS..Hα-helixtrans-64.8-36.1176.2-72.2-179.6000112.1F4 C5 S11 L12 F44 V47F4-L8 HydrophobicContact CD1-CD1 3.94Å; F4-L8 HydrophobicContact CD1-CG 4.38Å; F4-L8 HydrophobicContact CE1-CD1 3.2Å; F4-L8 HydrophobicContact CE1-CG 3.87Å; F4-L8 HydrophobicContact CZ-CD1 3.6Å; F4-L8 HydrophobicContact CZ-CD2 4.3Å; F4-L8 HydrophobicContact CZ-CG 3.96Å; F4-L8 PolarHBondContact O-N 3.16Å; C5-L8 PolarHBondContact O-N 3.27Å; L8-S11 PolarHBondContact O-N 2.84Å; L8-L12 VanDerWaalsContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.14Å; L8-L12 PolarHBondContact O-N 3.22Å; L8-F44 HydrophobicContact CB-CD2 3.62Å; L8-F44 HydrophobicContact CB-CE2 4.12Å; L8-F44 HydrophobicContact CD1-CD2 4.49Å; L8-V47 HydrophobicContact CD1-CB 4.42Å
9H71.2Confident69.6Low45 Ų4580.3 Ų80.321%0.20840%0.401CS..Hα-helixtrans-62.7-47.6177.7-176.976.6000111.2C5 E6 T7 S11 L12 L13 F44C5-H9 VanDerWaalsContact O-CB 3.27Å; C5-H9 WeakPolarHBondContact O-CB 3.4Å; C5-H9 PolarHBondContact O-N 3.07Å; E6-H9 WeakPolarHBondContact O-CB 3.31Å; E6-H9 PolarHBondContact O-N 3.38Å; T7-H9 VanDerWaalsContact C-N 3.3Å; T7-H9 PolarHBondContact O-N 3.43Å; H9-S11 PolarHBondContact O-N 2.89Å; H9-L12 PolarHBondContact O-N 3.25Å; H9-L13 VanDerWaalsContact NE2-CD1 3.31Å; H9-L13 WeakPolarHBondContact NE2-CD1 3.38Å; H9-L13 WeakPolarHBondContact O-CB 3.27Å; H9-L13 WeakPolarHBondContact O-CG 2.94Å; H9-L13 PolarHBondContact O-N 3.4Å; H9-F44 HydrophobicContact CB-CE2 3.69Å; H9-F44 HydrophobicContact CB-CZ 3.88Å; H9-F44 AromaticContact ND1-CZ 3.73Å
10V72.1Confident69.3Low70 Ų7080.2 Ų80.242%0.42440%0.401SS..Hα-helixtrans-61-45.1176.2172.50000111E6 T7 L12 L13 Q14E6-V10 WeakPolarHBondContact O-CG2 3.43Å; E6-V10 PolarHBondContact O-N 3.35Å; T7-V10 PolarHBondContact O-N 3.3Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.2Å; V10-L13 PolarHBondContact O-N 3.45Å; V10-Q14 WeakPolarHBondContact O-CG 3.38Å; V10-Q14 PolarHBondContact O-N 2.82Å
11S72.9Confident69.3Low56 Ų5685.3 Ų85.339%0.39242%0.415SS..Hα-helixtrans-60-45.1176.3-170.60000111.6T7 L8 H9 Q14 D15T7-S11 PolarHBondContact O-N 2.04Å; L8-S11 PolarHBondContact O-N 2.84Å; H9-S11 PolarHBondContact O-N 2.89Å; S11-Q14 PolarHBondContact O-N 2.81Å; S11-D15 PolarHBondContact O-N 3.26Å
12L71.8Confident69.5Low11 Ų1183.4 Ų83.46%0.05840%0.398CS..Hα-helixtrans-62.6-46.117917963.2000111.4L8 H9 V10 Q14 D15 V16 A40 C41 F44L8-L12 VanDerWaalsContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.14Å; L8-L12 PolarHBondContact O-N 3.22Å; H9-L12 PolarHBondContact O-N 3.25Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.2Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 PolarHBondContact O-N 2.99Å; L12-D15 PolarHBondContact O-N 3.38Å; L12-V16 HydrophobicContact CD1-CG2 4.15Å; L12-V16 HydrophobicContact CG-CG2 4.31Å; L12-V16 WeakPolarHBondContact O-CB 3.34Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.31Å; L12-V16 PolarHBondContact O-N 2.88Å; L12-A40 HydrophobicContact CD1-CB 3.53Å; L12-C41 HydrophobicContact CD1-CB 4.4Å; L12-F44 HydrophobicContact CD2-CB 3.84Å; L12-F44 HydrophobicContact CD2-CD1 3.78Å; L12-F44 HydrophobicContact CD2-CG 3.84Å
13L71.6Confident69.8Low50 Ų5076.1 Ų76.126%0.26237%0.373SS..Hα-helixtrans-60.7-38.9177.2-75.1-178.7000111.6H9 V10 Q17H9-L13 VanDerWaalsContact NE2-CD1 3.31Å; H9-L13 WeakPolarHBondContact NE2-CD1 3.38Å; H9-L13 WeakPolarHBondContact O-CB 3.27Å; H9-L13 WeakPolarHBondContact O-CG 2.94Å; H9-L13 PolarHBondContact O-N 3.4Å; V10-L13 PolarHBondContact O-N 3.45Å; L13-Q17 WeakPolarHBondContact O-CB 3.12Å; L13-Q17 WeakPolarHBondContact O-CG 3.16Å; L13-Q17 PolarHBondContact O-N 3.47Å
14Q73.3Confident69.6Low118 Ų11878.1 Ų78.155%0.55137%0.374SS*.Hα-helixtrans-65-43.6175.4-74176-1000111.9V10 S11 L12 Q17 R18V10-Q14 WeakPolarHBondContact O-CG 3.38Å; V10-Q14 PolarHBondContact O-N 2.82Å; S11-Q14 PolarHBondContact O-N 2.81Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 PolarHBondContact O-N 2.99Å; Q14-Q17 PolarHBondContact O-N 3.28Å; Q14-R18 WeakPolarHBondContact O-CB 2.93Å; Q14-R18 PolarHBondContact O-N 3.39Å
15D71Confident69.1Low65 Ų6573.1 Ų73.135%0.34835%0.352SS..Hα-helixtrans-64.5-45.2177.6-73.4-27.5000111.6S11 L12 R18 G19S11-D15 PolarHBondContact O-N 3.26Å; L12-D15 PolarHBondContact O-N 3.38Å; D15-R18 PolarHBondContact O-N 3.06Å; D15-G19 PolarHBondContact O-N 2.95Å
16V68.8Low68.9Low18 Ų1875.4 Ų75.411%0.10937%0.369CS..Hα-helixtrans-61.2-49.7174.81710000110.5L12 R18 G19 I20 V37L12-V16 HydrophobicContact CD1-CG2 4.15Å; L12-V16 HydrophobicContact CG-CG2 4.31Å; L12-V16 WeakPolarHBondContact O-CB 3.34Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.31Å; L12-V16 PolarHBondContact O-N 2.88Å; V16-R18 VanDerWaalsContact C-N 3.31Å; V16-R18 PolarHBondContact O-N 3.45Å; V16-G19 WeakPolarHBondContact O-CA 3.34Å; V16-G19 PolarHBondContact O-N 3.46Å; V16-G19 VanDerWaalsContact O-N 3.15Å; V16-I20 HydrophobicContact CG1-CD1 3.67Å; V16-I20 HydrophobicContact CG1-CG1 4.38Å; V16-I20 VanDerWaalsContact O-CG1 3.3Å; V16-I20 WeakPolarHBondContact O-CG1 3.29Å; V16-I20 PolarHBondContact O-N 2.81Å; V16-V37 HydrophobicContact CG2-CG1 3.75Å
17Q69.5Low68.6Low97 Ų9770.9 Ų70.945%0.45335%0.351SS..Hα-helixtrans-62.9-37.3178.6-76.7175.80.400112.2L13 Q14 I20 R21L13-Q17 WeakPolarHBondContact O-CB 3.12Å; L13-Q17 WeakPolarHBondContact O-CG 3.16Å; L13-Q17 PolarHBondContact O-N 3.47Å; Q14-Q17 PolarHBondContact O-N 3.28Å; Q17-I20 PolarHBondContact O-N 3.49Å; Q17-R21 VanDerWaalsContact O-CB 3.31Å; Q17-R21 WeakPolarHBondContact O-CB 3.5Å; Q17-R21 WeakPolarHBondContact O-CG 3.44Å; Q17-R21 PolarHBondContact O-N 3.4Å
18R68Low68.2Low167 Ų16768.6 Ų68.663%0.6334%0.338SS*.Hα-helixtrans-66.1-40.8174.8-172.7-179.7-178.7169.80.6110.8Q14 D15 V16 Y22Q14-R18 WeakPolarHBondContact O-CB 2.93Å; Q14-R18 PolarHBondContact O-N 3.39Å; D15-R18 PolarHBondContact O-N 3.06Å; V16-R18 VanDerWaalsContact C-N 3.31Å; V16-R18 PolarHBondContact O-N 3.45Å; R18-Y22 HydrophobicContact CB-CD2 4.39Å; R18-Y22 HydrophobicContact CG-CD2 3.7Å; R18-Y22 HydrophobicContact CG-CE2 4.17Å; R18-Y22 WeakPolarHBondContact O-CB 3.19Å; R18-Y22 WeakPolarHBondContact O-CD2 3.49Å; R18-Y22 PolarHBondContact O-N 2.85Å; R18-Y22 VanDerWaalsContact O-N 3.16Å
19G65.7Low68.3Low0 Ų072.7 Ų72.70%036%0.364CS..Hα-helixtrans-57.3-51.7171.200000112D15 V16 N23 D24D15-G19 PolarHBondContact O-N 2.95Å; V16-G19 WeakPolarHBondContact O-CA 3.34Å; V16-G19 PolarHBondContact O-N 3.46Å; V16-G19 VanDerWaalsContact O-N 3.15Å; G19-N23 CarbonylContact O-C 3.23Å; G19-N23 VanDerWaalsContact O-C 3.23Å; G19-N23 PolarHBondContact O-N 3.31Å; G19-N23 VanDerWaalsContact O-N 3.11Å; G19-D24 PolarHBondContact O-N 3.24Å
20I63.8Low68.4Low78 Ų7871.9 Ų71.940%0.436%0.361SS..Hα-helixtrans-64.1-47.4-178.3-66.4167.3000111.8V16 Q17 L25V16-I20 HydrophobicContact CG1-CD1 3.67Å; V16-I20 HydrophobicContact CG1-CG1 4.38Å; V16-I20 VanDerWaalsContact O-CG1 3.3Å; V16-I20 WeakPolarHBondContact O-CG1 3.29Å; V16-I20 PolarHBondContact O-N 2.81Å; Q17-I20 PolarHBondContact O-N 3.49Å; I20-L25 HydrophobicContact CG1-CD1 3.9Å
21R68Low68.4Low187 Ų18771.6 Ų71.671%0.70636%0.355SS*.Hα-helixtrans-72.9-39.4-172.9-75-175.5-177.7-162.72.1113.6Q17Q17-R21 VanDerWaalsContact O-CB 3.31Å; Q17-R21 WeakPolarHBondContact O-CB 3.5Å; Q17-R21 WeakPolarHBondContact O-CG 3.44Å; Q17-R21 PolarHBondContact O-N 3.4Å
22Y64.6Low68.4Low165 Ų16573.3 Ų73.365%0.64736%0.36SS*.Hα-helixtrans-105.1-28.6-167.9-64.7-72.5000113.5R18R18-Y22 HydrophobicContact CB-CD2 4.39Å; R18-Y22 HydrophobicContact CG-CD2 3.7Å; R18-Y22 HydrophobicContact CG-CE2 4.17Å; R18-Y22 WeakPolarHBondContact O-CB 3.19Å; R18-Y22 WeakPolarHBondContact O-CD2 3.49Å; R18-Y22 PolarHBondContact O-N 2.85Å; R18-Y22 VanDerWaalsContact O-N 3.16Å
23N62Low68.5Low46 Ų4674.6 Ų74.625%0.24637%0.366CS..SBendtrans-140.838.7-163.1-55.9-61.1000111.4G19 L25 N30 I33G19-N23 CarbonylContact O-C 3.23Å; G19-N23 VanDerWaalsContact O-C 3.23Å; G19-N23 PolarHBondContact O-N 3.31Å; G19-N23 VanDerWaalsContact O-N 3.11Å; N23-L25 PolarHBondContact O-N 2.99Å; N23-N30 HydrophobicContact CB-CB 4.13Å; N23-N30 VanDerWaalsContact O-CB 3.27Å; N23-N30 WeakPolarHBondContact O-CB 3.47Å; N23-N30 PolarHBondContact O-ND2 3.49Å; N23-I33 HydrophobicContact CB-CD1 3.53Å; N23-I33 HydrophobicContact CB-CG2 4.41Å; N23-I33 WeakPolarHBondContact ND2-CD1 3.27Å
24D67.5Low68.5Low84 Ų8472.3 Ų72.345%0.44935%0.354SS..  trans11.196.4177.7178.87.3000113G19 S26 A27 N30G19-D24 PolarHBondContact O-N 3.24Å; D24-S26 PolarHBondContact O-N 3.05Å; D24-S26 WeakPolarHBondContact OD1-CB 3.38Å; D24-S26 PolarHBondContact OD1-N 3.09Å; D24-S26 PolarHBondContact OD1-OG 2.91Å; D24-S26 PolarHBondContact OD2-OG 2.79Å; D24-S26 VanDerWaalsContact OD2-OG 3.11Å; D24-A27 HydrophobicContact CB-CB 4.02Å; D24-A27 VanDerWaalsContact O-CB 3.3Å; D24-A27 WeakPolarHBondContact O-CB 3.45Å; D24-A27 PolarHBondContact O-N 3.31Å; D24-N30 PolarHBondContact O-ND2 2.94Å
25L63.7Low68.6Low8 Ų869 Ų694%0.04234%0.339CS..THydrogen-bonded Turntrans-60.3-13.9-175.8-67175.9000112.5I20 N23 I33 R34 V37 L64I20-L25 HydrophobicContact CG1-CD1 3.9Å; N23-L25 PolarHBondContact O-N 2.99Å; L25-I33 HydrophobicContact CD2-CG2 3.92Å; L25-R34 HydrophobicContact CD2-CG 4Å; L25-R34 VanDerWaalsContact O-CZ 3.31Å; L25-R34 PolarHBondContact O-NE 3.42Å; L25-R34 PolarHBondContact O-NH2 3.34Å; L25-V37 HydrophobicContact CD1-CG1 4.42Å; L25-V37 HydrophobicContact CD1-CG2 4.42Å; L25-V37 HydrophobicContact CD2-CG2 4.25Å; L25-L64 HydrophobicContact CB-CD1 3.85Å; L25-L64 HydrophobicContact CD1-CD2 3.87Å
26S64.9Low68.9Low70 Ų7072.7 Ų72.749%0.4935%0.352SS..THydrogen-bonded Turntrans-82.5-12.9171.8790000113.8D24 P28 R34D24-S26 PolarHBondContact O-N 3.05Å; D24-S26 WeakPolarHBondContact OD1-CB 3.38Å; D24-S26 PolarHBondContact OD1-N 3.09Å; D24-S26 PolarHBondContact OD1-OG 2.91Å; D24-S26 PolarHBondContact OD2-OG 2.79Å; D24-S26 VanDerWaalsContact OD2-OG 3.11Å; S26-P28 WeakPolarHBondContact O-CD 3.42Å; S26-R34 PolarHBondContact O-NH2 2.86Å
27A66.5Low69.1Low22 Ų2272 Ų7218%0.18235%0.348CS..SBendtrans-84.3122.817900000112.6D24 V29 N30 R34D24-A27 HydrophobicContact CB-CB 4.02Å; D24-A27 VanDerWaalsContact O-CB 3.3Å; D24-A27 WeakPolarHBondContact O-CB 3.45Å; D24-A27 PolarHBondContact O-N 3.31Å; A27-V29 HydrophobicContact CB-CG2 4.26Å; A27-V29 PolarHBondContact O-N 3.27Å; A27-V29 VanDerWaalsContact O-N 3.11Å; A27-N30 PolarHBondContact O-N 3.41Å; A27-N30 VanDerWaalsContact O-N 3.1Å; A27-R34 PolarHBondContact O-NE 2.79Å; A27-R34 PolarHBondContact O-NH2 3.48Å; A27-R34 VanDerWaalsContact O-NH2 3.14Å
28P65.4Low69.3Low50 Ų5067.6 Ų67.633%0.32533%0.327SS..G310 helixtrans-59.9-26.5-174.4-27.434.2000116.5S26 N30 H31 E71S26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-N30 PolarHBondContact O-N 3.44Å; P28-H31 PolarHBondContact O-N 2.86Å; P28-E71 VanDerWaalsContact CB-OE1 3.3Å; P28-E71 WeakPolarHBondContact CB-OE1 3.38Å
29V71.6Confident69.8Low119 Ų11963.7 Ų63.772%0.72132%0.317SS*.G310 helixtrans-63.9-19.6179-63.40000112.9A27 H31A27-V29 HydrophobicContact CB-CG2 4.26Å; A27-V29 PolarHBondContact O-N 3.27Å; A27-V29 VanDerWaalsContact O-N 3.11Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 3.28Å
30N73.3Confident70.3Confident29 Ų2964.9 Ų64.916%0.15533%0.327CS..G310 helixtrans-9527.6-175.7-61.3-46.1000113.3N23 D24 A27 P28 D32 I33 R34N23-N30 HydrophobicContact CB-CB 4.13Å; N23-N30 VanDerWaalsContact O-CB 3.27Å; N23-N30 WeakPolarHBondContact O-CB 3.47Å; N23-N30 PolarHBondContact O-ND2 3.49Å; D24-N30 PolarHBondContact O-ND2 2.94Å; A27-N30 PolarHBondContact O-N 3.41Å; A27-N30 VanDerWaalsContact O-N 3.1Å; P28-N30 PolarHBondContact O-N 3.44Å; N30-D32 PolarHBondContact O-N 3.35Å; N30-I33 HydrophobicContact CB-CD1 4.3Å; N30-I33 PolarHBondContact O-N 2.93Å; N30-R34 WeakPolarHBondContact O-CG 3.3Å; N30-R34 PolarHBondContact O-N 3.29Å
31H72.1Confident70.8Confident63 Ų6361.3 Ų61.329%0.29231%0.309SS..Hα-helixtrans-48-46.9-179.668.7-33.2000114.5P28 V29 I33 R34 E35P28-H31 PolarHBondContact O-N 2.86Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 3.28Å; H31-I33 VanDerWaalsContact C-N 3.27Å; H31-I33 PolarHBondContact O-N 2.95Å; H31-R34 WeakPolarHBondContact O-CB 3.47Å; H31-R34 PolarHBondContact O-N 3.26Å; H31-E35 PolarHBondContact O-N 3.11Å
32D73.9Confident71Confident92 Ų9253.3 Ų53.349%0.49228%0.28SS..Hα-helixtrans-56.6-38.7177.1-68.9-35.5000113.3N30 K36N30-D32 PolarHBondContact O-N 3.35Å; D32-K36 VanDerWaalsContact O-CG 3.3Å; D32-K36 WeakPolarHBondContact O-CG 3.26Å; D32-K36 PolarHBondContact O-N 3.16Å; D32-K36 VanDerWaalsContact O-N 3.14Å
33I72.6Confident71.5Confident38 Ų3852 Ų5220%0.19528%0.277CS..Hα-helixtrans-78.4-39.1-177.9-67.4143.5000109.8N23 L25 N30 H31 E35 K36 V37N23-I33 HydrophobicContact CB-CD1 3.53Å; N23-I33 HydrophobicContact CB-CG2 4.41Å; N23-I33 WeakPolarHBondContact ND2-CD1 3.27Å; L25-I33 HydrophobicContact CD2-CG2 3.92Å; N30-I33 HydrophobicContact CB-CD1 4.3Å; N30-I33 PolarHBondContact O-N 2.93Å; H31-I33 VanDerWaalsContact C-N 3.27Å; H31-I33 PolarHBondContact O-N 2.95Å; I33-E35 VanDerWaalsContact C-N 3.34Å; I33-K36 PolarHBondContact O-N 3.01Å; I33-V37 WeakPolarHBondContact O-CG2 3.42Å; I33-V37 PolarHBondContact O-N 3.15Å
34R71.9Confident72Confident2 Ų249.9 Ų49.91%0.00827%0.266CS..Hα-helixtrans-59.7-45.7172.5-66.1168.1175.4-170.9-15.1111.2L25 S26 A27 N30 H31 K36 V37 I38 I68 E71L25-R34 HydrophobicContact CD2-CG 4Å; L25-R34 VanDerWaalsContact O-CZ 3.31Å; L25-R34 PolarHBondContact O-NE 3.42Å; L25-R34 PolarHBondContact O-NH2 3.34Å; S26-R34 PolarHBondContact O-NH2 2.86Å; A27-R34 PolarHBondContact O-NE 2.79Å; A27-R34 PolarHBondContact O-NH2 3.48Å; A27-R34 VanDerWaalsContact O-NH2 3.14Å; N30-R34 WeakPolarHBondContact O-CG 3.3Å; N30-R34 PolarHBondContact O-N 3.29Å; H31-R34 WeakPolarHBondContact O-CB 3.47Å; H31-R34 PolarHBondContact O-N 3.26Å; R34-K36 VanDerWaalsContact C-N 3.35Å; R34-K36 PolarHBondContact O-N 2.86Å; R34-V37 PolarHBondContact O-N 2.88Å; R34-I38 WeakPolarHBondContact O-CD1 3.39Å; R34-I38 VanDerWaalsContact O-CG1 3.29Å; R34-I38 WeakPolarHBondContact O-CG1 3.43Å; R34-I38 PolarHBondContact O-N 2.86Å; R34-I68 HydrophobicContact CB-CD1 4.41Å; R34-E71 IonicContact CZ-OE1 2.84Å; R34-E71 IonicContact CZ-OE2 3.66Å; R34-E71 IonicContact NH1-OE1 3.03Å; R34-E71 PolarHBondContact NH1-OE1 3.13Å; R34-E71 IonicContact NH1-OE2 3.55Å; R34-E71 PolarHBondContact NH1-OE2 2.88Å; R34-E71 IonicContact NH2-OE1 2.62Å; R34-E71 IonicContact NH2-OE2 3.27Å; R34-E71 PolarHBondContact NH2-OE2 2.8Å
35E74.9Confident72.2Confident48 Ų4846.7 Ų46.722%0.22425%0.248CC..Hα-helixtrans-59.4-46.2176.5177.1168.1-171.400111.1H31 I33 V37 I38 M39 Y86 M90 K93H31-E35 PolarHBondContact O-N 3.11Å; I33-E35 VanDerWaalsContact C-N 3.34Å; E35-V37 VanDerWaalsContact C-N 3.31Å; E35-V37 PolarHBondContact O-N 3.39Å; E35-I38 PolarHBondContact O-N 3.22Å; E35-M39 HydrophobicContact CG-CG 4.12Å; E35-M39 WeakPolarHBondContact O-CB 3.22Å; E35-M39 VanDerWaalsContact O-CG 3.26Å; E35-M39 WeakPolarHBondContact O-CG 3.36Å; E35-M39 PolarHBondContact O-N 2.84Å; E35-Y86 WeakPolarHBondContact OE2-CE2 3.26Å; E35-Y86 PolarHBondContact OE2-OH 3.33Å; E35-M90 HydrophobicContact CB-CE 3.75Å; E35-M90 HydrophobicContact CB-SD 4.3Å; E35-M90 VanDerWaalsContact CD-SD 3.55Å; E35-M90 HydrophobicContact CG-CE 3.71Å; E35-M90 HydrophobicContact CG-SD 3.77Å; E35-K93 IonicContact OE1-NZ 3.57Å
36K77.3Confident72.5Confident143 Ų14351.2 Ų51.262%0.62227%0.273SS*.Hα-helixtrans-57.3-44.8175.2-75.7171.3-175.4172.40112.1D32 I33 R34 M39 A40D32-K36 VanDerWaalsContact O-CG 3.3Å; D32-K36 WeakPolarHBondContact O-CG 3.26Å; D32-K36 PolarHBondContact O-N 3.16Å; D32-K36 VanDerWaalsContact O-N 3.14Å; I33-K36 PolarHBondContact O-N 3.01Å; R34-K36 VanDerWaalsContact C-N 3.35Å; R34-K36 PolarHBondContact O-N 2.86Å; K36-M39 PolarHBondContact O-N 3.37Å; K36-A40 WeakPolarHBondContact O-CB 3.48Å; K36-A40 PolarHBondContact O-N 2.62Å
37V73.5Confident72.9Confident5 Ų551.9 Ų51.93%0.0327%0.273CS..Hα-helixtrans-63.8-46.2177.51690000111.3V16 L25 I33 R34 E35 M39 A40 C41V16-V37 HydrophobicContact CG2-CG1 3.75Å; L25-V37 HydrophobicContact CD1-CG1 4.42Å; L25-V37 HydrophobicContact CD1-CG2 4.42Å; L25-V37 HydrophobicContact CD2-CG2 4.25Å; I33-V37 WeakPolarHBondContact O-CG2 3.42Å; I33-V37 PolarHBondContact O-N 3.15Å; R34-V37 PolarHBondContact O-N 2.88Å; E35-V37 VanDerWaalsContact C-N 3.31Å; E35-V37 PolarHBondContact O-N 3.39Å; V37-M39 PolarHBondContact O-N 3.37Å; V37-A40 PolarHBondContact O-N 2.86Å; V37-C41 WeakPolarHBondContact O-CB 3.37Å; V37-C41 PolarHBondContact O-N 3.31Å; V37-C41 PolarHBondContact O-SG 3.47Å; V37-C41 VanDerWaalsContact O-SG 3.38Å
38I74.3Confident73.2Confident3 Ų352.1 Ų52.12%0.01527%0.274CS..Hα-helixtrans-60.6-47177.3-70156.8000110.9R34 E35 C41 L42 I68 M90 V94R34-I38 WeakPolarHBondContact O-CD1 3.39Å; R34-I38 VanDerWaalsContact O-CG1 3.29Å; R34-I38 WeakPolarHBondContact O-CG1 3.43Å; R34-I38 PolarHBondContact O-N 2.86Å; E35-I38 PolarHBondContact O-N 3.22Å; I38-C41 WeakPolarHBondContact O-CB 3.46Å; I38-C41 PolarHBondContact O-N 3.45Å; I38-L42 HydrophobicContact CG2-CD1 4.04Å; I38-L42 WeakPolarHBondContact O-CB 3.45Å; I38-L42 PolarHBondContact O-N 2.98Å; I38-I68 HydrophobicContact CD1-CD1 3.82Å; I38-I68 HydrophobicContact CD1-CG2 4.22Å; I38-I68 HydrophobicContact CG1-CD1 4.29Å; I38-M90 HydrophobicContact CD1-CE 3.87Å; I38-V94 HydrophobicContact CD1-CG2 3.4Å; I38-V94 VanDerWaalsContact CD1-CG2 3.4Å; I38-V94 HydrophobicContact CG1-CG2 4.09Å; I38-V94 HydrophobicContact CG2-CG2 4.03Å
39M78.7Confident73.4Confident86 Ų8651 Ų5142%0.42427%0.271SS..Hα-helixtrans-66.1-39-179.9-71.5-61.3-65.300111.8E35 K36 V37 L42 K43 K93E35-M39 HydrophobicContact CG-CG 4.12Å; E35-M39 WeakPolarHBondContact O-CB 3.22Å; E35-M39 VanDerWaalsContact O-CG 3.26Å; E35-M39 WeakPolarHBondContact O-CG 3.36Å; E35-M39 PolarHBondContact O-N 2.84Å; K36-M39 PolarHBondContact O-N 3.37Å; V37-M39 PolarHBondContact O-N 3.37Å; M39-L42 HydrophobicContact SD-CD1 4.32Å; M39-K43 VanDerWaalsContact O-CB 3.31Å; M39-K43 WeakPolarHBondContact O-CB 3.41Å; M39-K43 PolarHBondContact O-N 3.33Å; M39-K93 HydrophobicContact SD-CD 4.25Å
40A76.4Confident73.2Confident24 Ų2445.5 Ų45.520%0.19824%0.238CC..Hα-helixtrans-64-44.8174.400000111.2L12 K36 V37 K43 F44L12-A40 HydrophobicContact CD1-CB 3.53Å; K36-A40 WeakPolarHBondContact O-CB 3.48Å; K36-A40 PolarHBondContact O-N 2.62Å; V37-A40 PolarHBondContact O-N 2.86Å; A40-K43 PolarHBondContact O-N 3.29Å; A40-F44 WeakPolarHBondContact O-CB 3.44Å; A40-F44 PolarHBondContact O-N 3.34Å
41C73.4Confident72.8Confident4 Ų451.9 Ų51.93%0.02727%0.267CS..Hα-helixtrans-56.7-56.8172.9-79.10000110.6L12 V37 I38 K43 F44 F45 F97L12-C41 HydrophobicContact CD1-CB 4.4Å; V37-C41 WeakPolarHBondContact O-CB 3.37Å; V37-C41 PolarHBondContact O-N 3.31Å; V37-C41 PolarHBondContact O-SG 3.47Å; V37-C41 VanDerWaalsContact O-SG 3.38Å; I38-C41 WeakPolarHBondContact O-CB 3.46Å; I38-C41 PolarHBondContact O-N 3.45Å; C41-K43 VanDerWaalsContact C-N 3.28Å; C41-K43 PolarHBondContact O-N 3Å; C41-F44 WeakPolarHBondContact O-CB 3.26Å; C41-F44 PolarHBondContact O-N 2.88Å; C41-F45 VanDerWaalsContact C-CD2 3.49Å; C41-F45 HydrophobicContact CB-CD2 4.14Å; C41-F45 HydrophobicContact CB-CE2 3.87Å; C41-F45 WeakPolarHBondContact O-CD2 3.42Å; C41-F45 PolarHBondContact O-N 3.35Å; C41-F97 HydrophobicContact CB-CD1 4.29Å; C41-F97 HydrophobicContact CB-CE1 3.44Å; C41-F97 VanDerWaalsContact CB-CE1 3.44Å; C41-F97 HydrophobicContact CB-CZ 3.67Å
42L72.1Confident72.2Confident19 Ų1952.1 Ų52.110%0.09928%0.275CS..Hα-helixtrans-52.7-45.7179.2-85.2172.1000112.3I38 M39 F45 N46 K93 F97I38-L42 HydrophobicContact CG2-CD1 4.04Å; I38-L42 WeakPolarHBondContact O-CB 3.45Å; I38-L42 PolarHBondContact O-N 2.98Å; M39-L42 HydrophobicContact SD-CD1 4.32Å; L42-F45 PolarHBondContact O-N 3.05Å; L42-N46 VanDerWaalsContact O-CB 3.31Å; L42-N46 WeakPolarHBondContact O-CB 3.44Å; L42-N46 PolarHBondContact O-N 2.94Å; L42-N46 PolarHBondContact O-ND2 3.13Å; L42-K93 HydrophobicContact CD1-CB 4.49Å; L42-F97 HydrophobicContact CD1-CB 4.46Å; L42-F97 HydrophobicContact CD2-CB 3.46Å; L42-F97 VanDerWaalsContact CD2-CB 3.46Å; L42-F97 HydrophobicContact CD2-CD2 3.71Å; L42-F97 HydrophobicContact CD2-CG 3.63Å; L42-F97 HydrophobicContact CG-CB 3.92Å; L42-F97 HydrophobicContact CG-CD1 4.33Å; L42-F97 HydrophobicContact CG-CD2 4.28Å; L42-F97 HydrophobicContact CG-CG 3.9Å
43K76.4Confident71.5Confident136 Ų13648.3 Ų48.359%0.59126%0.256SS*.Hα-helixtrans-63.1-45.3177.2-175.8179.1179.2-177.90111.5M39 A40 C41 V47M39-K43 VanDerWaalsContact O-CB 3.31Å; M39-K43 WeakPolarHBondContact O-CB 3.41Å; M39-K43 PolarHBondContact O-N 3.33Å; A40-K43 PolarHBondContact O-N 3.29Å; C41-K43 VanDerWaalsContact C-N 3.28Å; C41-K43 PolarHBondContact O-N 3Å; K43-V47 WeakPolarHBondContact O-CG2 3.41Å; K43-V47 PolarHBondContact O-N 2.91Å
44F72.1Confident71.1Confident3 Ų350.8 Ų50.81%0.01327%0.27CS..Hα-helixtrans-60-49177177-105000111.3C5 L8 H9 L12 A40 C41 N46 V47 C48 S52C5-F44 WeakPolarHBondContact O-CE2 3.33Å; L8-F44 HydrophobicContact CB-CD2 3.62Å; L8-F44 HydrophobicContact CB-CE2 4.12Å; L8-F44 HydrophobicContact CD1-CD2 4.49Å; H9-F44 HydrophobicContact CB-CE2 3.69Å; H9-F44 HydrophobicContact CB-CZ 3.88Å; H9-F44 AromaticContact ND1-CZ 3.73Å; L12-F44 HydrophobicContact CD2-CB 3.84Å; L12-F44 HydrophobicContact CD2-CD1 3.78Å; L12-F44 HydrophobicContact CD2-CG 3.84Å; A40-F44 WeakPolarHBondContact O-CB 3.44Å; A40-F44 PolarHBondContact O-N 3.34Å; C41-F44 WeakPolarHBondContact O-CB 3.26Å; C41-F44 PolarHBondContact O-N 2.88Å; F44-N46 PolarHBondContact O-N 3.21Å; F44-V47 PolarHBondContact O-N 3.06Å; F44-V47 VanDerWaalsContact O-N 3.13Å; F44-C48 HydrophobicContact CD2-CB 3.95Å; F44-C48 HydrophobicContact CE1-CB 4.46Å; F44-C48 HydrophobicContact CE2-CB 3.62Å; F44-C48 HydrophobicContact CZ-CB 3.91Å; F44-C48 WeakPolarHBondContact O-CB 3.43Å; F44-C48 PolarHBondContact O-N 2.78Å; F44-S52 WeakPolarHBondContact CZ-OG 3.31Å
45F70.8Confident70.3Confident16 Ų1656.8 Ų56.87%0.0730%0.296CS..Hα-helixtrans-70.3-34.4-176.3-65.6-58.1000113.7C41 L42 V47 G49 W50 I61 F97C41-F45 VanDerWaalsContact C-CD2 3.49Å; C41-F45 HydrophobicContact CB-CD2 4.14Å; C41-F45 HydrophobicContact CB-CE2 3.87Å; C41-F45 WeakPolarHBondContact O-CD2 3.42Å; C41-F45 PolarHBondContact O-N 3.35Å; L42-F45 PolarHBondContact O-N 3.05Å; F45-V47 PolarHBondContact O-N 3.22Å; F45-G49 PolarHBondContact O-N 3.11Å; F45-W50 HydrophobicContact CD1-CB 4.12Å; F45-W50 HydrophobicContact CD1-CD2 4.26Å; F45-W50 AromaticContact CD1-CE3 3.37Å; F45-W50 HydrophobicContact CD1-CE3 3.37Å; F45-W50 HydrophobicContact CD1-CZ3 4.14Å; F45-W50 HydrophobicContact CD2-CE3 4.03Å; F45-W50 HydrophobicContact CD2-CZ3 4.07Å; F45-W50 HydrophobicContact CE1-CB 4.36Å; F45-W50 AromaticContact CE1-CD2 3.87Å; F45-W50 HydrophobicContact CE1-CD2 3.87Å; F45-W50 AromaticContact CE1-CE3 2.95Å; F45-W50 HydrophobicContact CE1-CE3 2.95Å; F45-W50 HydrophobicContact CE1-CG 4.45Å; F45-W50 AromaticContact CE1-CZ3 3.48Å; F45-W50 HydrophobicContact CE1-CZ3 3.48Å; F45-W50 VanDerWaalsContact CE1-CZ3 3.48Å; F45-W50 AromaticContact CE2-CE3 3.71Å; F45-W50 HydrophobicContact CE2-CE3 3.71Å; F45-W50 AromaticContact CE2-CZ3 3.42Å; F45-W50 HydrophobicContact CE2-CZ3 3.42Å; F45-W50 VanDerWaalsContact CE2-CZ3 3.42Å; F45-W50 AromaticContact CG-CE3 3.9Å; F45-W50 HydrophobicContact CG-CE3 3.9Å; F45-W50 HydrophobicContact CG-CZ3 4.41Å; F45-W50 HydrophobicContact CZ-CD2 4.32Å; F45-W50 AromaticContact CZ-CE3 3.14Å; F45-W50 HydrophobicContact CZ-CE3 3.14Å; F45-W50 HydrophobicContact CZ-CH2 4.25Å; F45-W50 AromaticContact CZ-CZ3 3.06Å; F45-W50 HydrophobicContact CZ-CZ3 3.06Å; F45-I61 HydrophobicContact CZ-CD1 4.41Å; F45-F97 HydrophobicContact CB-CE2 4.31Å; F45-F97 HydrophobicContact CD2-CD2 4.34Å; F45-F97 HydrophobicContact CD2-CE1 4.42Å; F45-F97 AromaticContact CD2-CE2 3.16Å; F45-F97 HydrophobicContact CD2-CE2 3.16Å; F45-F97 AromaticContact CD2-CZ 3.24Å; F45-F97 HydrophobicContact CD2-CZ 3.24Å; F45-F97 HydrophobicContact CE2-CE1 4.42Å; F45-F97 AromaticContact CE2-CE2 3.77Å; F45-F97 HydrophobicContact CE2-CE2 3.77Å; F45-F97 AromaticContact CE2-CZ 3.33Å; F45-F97 HydrophobicContact CE2-CZ 3.33Å; F45-F97 AromaticContact CG-CE2 3.93Å; F45-F97 HydrophobicContact CG-CE2 3.93Å; F45-F97 HydrophobicContact CG-CZ 4.36Å; F45-F97 HydrophobicContact CZ-CZ 4.48Å
46N71.2Confident69.8Low104 Ų10458.7 Ų58.756%0.55632%0.315SS*.Hα-helixtrans-61-28.7171.8-79.1-26.1000113L42 F44 M100L42-N46 VanDerWaalsContact O-CB 3.31Å; L42-N46 WeakPolarHBondContact O-CB 3.44Å; L42-N46 PolarHBondContact O-N 2.94Å; L42-N46 PolarHBondContact O-ND2 3.13Å; F44-N46 PolarHBondContact O-N 3.21Å; N46-M100 WeakPolarHBondContact OD1-CE 3.21Å
47V72.4Confident69.3Low83 Ų8354.3 Ų54.350%0.50330%0.298SS..Hα-helixtrans-104.8-34.5-173.6-1740000113.4F4 L8 K43 F44 F45F4-V47 HydrophobicContact CD1-CG1 4.11Å; F4-V47 HydrophobicContact CE1-CB 4.46Å; F4-V47 HydrophobicContact CE1-CG1 3.51Å; L8-V47 HydrophobicContact CD1-CB 4.42Å; K43-V47 WeakPolarHBondContact O-CG2 3.41Å; K43-V47 PolarHBondContact O-N 2.91Å; F44-V47 PolarHBondContact O-N 3.06Å; F44-V47 VanDerWaalsContact O-N 3.13Å; F45-V47 PolarHBondContact O-N 3.22Å
48C72.4Confident69.2Low27 Ų2755.7 Ų55.718%0.18230%0.303CS..Hα-helixtrans-116.3-11.1-167.6-67.50000114.9C5 F44C5-C48 WeakPolarHBondContact CA-SG 2.9Å; C5-C48 HydrophobicContact CB-CB 3.62Å; C5-C48 WeakPolarHBondContact CB-SG 3.32Å; C5-C48 WeakPolarHBondContact SG-CA 3.01Å; C5-C48 WeakPolarHBondContact SG-CB 2.98Å; C5-C48 CovalentContact SG-SG 2.04Å; C5-C48 PolarHBondContact SG-SG 3.18Å; F44-C48 HydrophobicContact CD2-CB 3.95Å; F44-C48 HydrophobicContact CE1-CB 4.46Å; F44-C48 HydrophobicContact CE2-CB 3.62Å; F44-C48 HydrophobicContact CZ-CB 3.91Å; F44-C48 WeakPolarHBondContact O-CB 3.43Å; F44-C48 PolarHBondContact O-N 2.78Å
49G69.9Low69.1Low27 Ų2759.1 Ų59.128%0.27832%0.319SS..  trans71.1157.2-177.300000113.8F45 E51 S52F45-G49 PolarHBondContact O-N 3.11Å; G49-E51 VanDerWaalsContact C-N 3.33Å; G49-S52 PolarHBondContact O-OG 2.94Å
50W66.9Low68.8Low4 Ų459.3 Ų59.32%0.01532%0.319CS..G310 helixtrans-79.2-14.9-175.8-173.9-102.9000113.7F45 S52 S53 K58 I61 F97 L101 Y104F45-W50 HydrophobicContact CD1-CB 4.12Å; F45-W50 HydrophobicContact CD1-CD2 4.26Å; F45-W50 AromaticContact CD1-CE3 3.37Å; F45-W50 HydrophobicContact CD1-CE3 3.37Å; F45-W50 HydrophobicContact CD1-CZ3 4.14Å; F45-W50 HydrophobicContact CD2-CE3 4.03Å; F45-W50 HydrophobicContact CD2-CZ3 4.07Å; F45-W50 HydrophobicContact CE1-CB 4.36Å; F45-W50 AromaticContact CE1-CD2 3.87Å; F45-W50 HydrophobicContact CE1-CD2 3.87Å; F45-W50 AromaticContact CE1-CE3 2.95Å; F45-W50 HydrophobicContact CE1-CE3 2.95Å; F45-W50 HydrophobicContact CE1-CG 4.45Å; F45-W50 AromaticContact CE1-CZ3 3.48Å; F45-W50 HydrophobicContact CE1-CZ3 3.48Å; F45-W50 VanDerWaalsContact CE1-CZ3 3.48Å; F45-W50 AromaticContact CE2-CE3 3.71Å; F45-W50 HydrophobicContact CE2-CE3 3.71Å; F45-W50 AromaticContact CE2-CZ3 3.42Å; F45-W50 HydrophobicContact CE2-CZ3 3.42Å; F45-W50 VanDerWaalsContact CE2-CZ3 3.42Å; F45-W50 AromaticContact CG-CE3 3.9Å; F45-W50 HydrophobicContact CG-CE3 3.9Å; F45-W50 HydrophobicContact CG-CZ3 4.41Å; F45-W50 HydrophobicContact CZ-CD2 4.32Å; F45-W50 AromaticContact CZ-CE3 3.14Å; F45-W50 HydrophobicContact CZ-CE3 3.14Å; F45-W50 HydrophobicContact CZ-CH2 4.25Å; F45-W50 AromaticContact CZ-CZ3 3.06Å; F45-W50 HydrophobicContact CZ-CZ3 3.06Å; W50-S52 PolarHBondContact O-N 2.95Å; W50-S53 PolarHBondContact O-N 3.22Å; W50-K58 HydrophobicContact CD2-CG 4.37Å; W50-K58 VanDerWaalsContact CE2-CG 3.44Å; W50-K58 HydrophobicContact CH2-CB 4.26Å; W50-K58 HydrophobicContact CH2-CG 4.21Å; W50-K58 HydrophobicContact CZ2-CB 3.42Å; W50-K58 VanDerWaalsContact CZ2-CB 3.42Å; W50-K58 HydrophobicContact CZ2-CD 4.13Å; W50-K58 HydrophobicContact CZ2-CG 3.37Å; W50-K58 WeakPolarHBondContact O-CE 3.31Å; W50-K58 PolarHBondContact O-NZ 3.29Å; W50-I61 HydrophobicContact CH2-CB 4Å; W50-I61 HydrophobicContact CH2-CD1 4.08Å; W50-I61 HydrophobicContact CH2-CG2 3.81Å; W50-I61 HydrophobicContact CZ3-CD1 4.26Å; W50-I61 HydrophobicContact CZ3-CG2 4.17Å; W50-F97 HydrophobicContact CZ3-CE2 4.47Å; W50-F97 HydrophobicContact CZ3-CZ 4.14Å; W50-L101 HydrophobicContact CD2-CD2 3.46Å; W50-L101 VanDerWaalsContact CD2-CD2 3.46Å; W50-L101 HydrophobicContact CE3-CD1 4.14Å; W50-L101 HydrophobicContact CE3-CD2 3.07Å; W50-L101 HydrophobicContact CE3-CG 4.19Å; W50-L101 HydrophobicContact CG-CD2 4.13Å; W50-L101 HydrophobicContact CH2-CD1 3.4Å; W50-L101 VanDerWaalsContact CH2-CD1 3.4Å; W50-L101 HydrophobicContact CH2-CD2 3.93Å; W50-L101 HydrophobicContact CH2-CG 4.22Å; W50-L101 HydrophobicContact CZ2-CD1 3.93Å; W50-L101 HydrophobicContact CZ2-CD2 4.12Å; W50-L101 HydrophobicContact CZ2-CG 4.46Å; W50-L101 HydrophobicContact CZ3-CD1 3.49Å; W50-L101 VanDerWaalsContact CZ3-CD1 3.49Å; W50-L101 HydrophobicContact CZ3-CD2 3.38Å; W50-L101 HydrophobicContact CZ3-CG 4.04Å; W50-Y104 HydrophobicContact CB-CD1 4.23Å; W50-Y104 HydrophobicContact CB-CD2 3.99Å; W50-Y104 HydrophobicContact CB-CE1 4.03Å; W50-Y104 HydrophobicContact CB-CE2 3.8Å; W50-Y104 HydrophobicContact CB-CG 4.2Å; W50-Y104 AromaticContact CD1-CD1 3.48Å; W50-Y104 VanDerWaalsContact CD1-CD1 3.48Å; W50-Y104 AromaticContact CD1-CD2 3.61Å; W50-Y104 AromaticContact CD1-CG 3.15Å; W50-Y104 HydrophobicContact CG-CD1 4.21Å; W50-Y104 AromaticContact CG-CD2 3.89Å; W50-Y104 HydrophobicContact CG-CD2 3.89Å; W50-Y104 HydrophobicContact CG-CE1 4.49Å; W50-Y104 HydrophobicContact CG-CE2 4.22Å; W50-Y104 AromaticContact CG-CG 3.87Å; W50-Y104 HydrophobicContact CG-CG 3.87Å; W50-Y104 VanDerWaalsContact NE1-CB 3.25Å; W50-Y104 AromaticContact NE1-CG 3.76Å
51E65.5Low68.7Low163 Ų16359 Ų5976%0.76231%0.314SS*.G310 helixtrans-61.9-27.2-176.4-64.1-17717200113.2G49 S53 Y104G49-E51 VanDerWaalsContact C-N 3.33Å; E51-S53 VanDerWaalsContact C-N 3.33Å; E51-S53 PolarHBondContact O-N 2.61Å; E51-Y104 HydrophobicContact CG-CE1 4.4Å
52S60Low68.9Low68 Ų6859 Ų5948%0.47631%0.314SS..G310 helixtrans-73.9-14.3-17759.70000115.3F44 G49 W50F44-S52 WeakPolarHBondContact CZ-OG 3.31Å; G49-S52 PolarHBondContact O-OG 2.94Å; W50-S52 PolarHBondContact O-N 2.95Å
53S59.5Low69.3Low12 Ų1262.3 Ų62.38%0.08433%0.331CS..SBendtrans-90.8140.9-175.8-63.20000112.7W50 E51 K58W50-S53 PolarHBondContact O-N 3.22Å; E51-S53 VanDerWaalsContact C-N 3.33Å; E51-S53 PolarHBondContact O-N 2.61Å; S53-K58 WeakPolarHBondContact O-CE 3.33Å; S53-K58 PolarHBondContact O-NZ 3.35Å
54N63.9Low69.2Low90 Ų9057.1 Ų57.148%0.48131%0.31SS..  trans-67.6153.8171.471.329.5000111.7S56 N57 K58N54-S56 VanDerWaalsContact C-N 3.33Å; N54-S56 PolarHBondContact O-N 2.86Å; N54-N57 PolarHBondContact O-N 2.71Å; N54-N57 WeakPolarHBondContact OD1-CB 3.36Å; N54-N57 PolarHBondContact OD1-N 2.87Å; N54-N57 PolarHBondContact OD1-ND2 3.21Å; N54-N57 PolarHBondContact OD1-OD1 2.96Å; N54-K58 WeakPolarHBondContact O-CG 3.3Å; N54-K58 PolarHBondContact O-N 3.21Å; N54-K58 VanDerWaalsContact O-N 3.16Å
55F55Low69.7Low127 Ų12757.2 Ų57.256%0.55731%0.31SS*.Hα-helixtrans-59.5-38.4-174.3-175.5-96.4000113.7N57 K58 Q59F55-N57 PolarHBondContact O-N 3.38Å; F55-K58 WeakPolarHBondContact O-CB 3.27Å; F55-K58 PolarHBondContact O-N 3.33Å; F55-Q59 PolarHBondContact O-N 2.89Å
56S64.9Low70.4Confident89 Ų8959 Ų5962%0.62232%0.321SS*.Hα-helixtrans-63.7-41.1179.7-170.10000112.4N54 K58 H60N54-S56 VanDerWaalsContact C-N 3.33Å; N54-S56 PolarHBondContact O-N 2.86Å; S56-K58 VanDerWaalsContact C-N 3.31Å; S56-H60 PolarHBondContact O-N 3.46Å; S56-H60 VanDerWaalsContact O-N 3.1Å
57N66.4Low70.8Confident50 Ų5056.8 Ų56.827%0.26731%0.313SS..Hα-helixtrans-67.2-37176.2-70.3-10.7000110.7N54 F55 H60 I61N54-N57 PolarHBondContact O-N 2.71Å; N54-N57 WeakPolarHBondContact OD1-CB 3.36Å; N54-N57 PolarHBondContact OD1-N 2.87Å; N54-N57 PolarHBondContact OD1-ND2 3.21Å; N54-N57 PolarHBondContact OD1-OD1 2.96Å; F55-N57 PolarHBondContact O-N 3.38Å; N57-H60 PolarHBondContact O-N 3.3Å; N57-I61 WeakPolarHBondContact O-CB 3.3Å; N57-I61 WeakPolarHBondContact O-CD1 3.28Å; N57-I61 VanDerWaalsContact O-CG1 3.27Å; N57-I61 WeakPolarHBondContact O-CG1 3.49Å; N57-I61 PolarHBondContact O-N 3.26Å
58K70.6Confident71.2Confident34 Ų3452.9 Ų52.915%0.14829%0.29CS..Hα-helixtrans-59.4-52176.4-68178.31671730111.3W50 S53 N54 F55 S56 H60 I61 L62W50-K58 HydrophobicContact CD2-CG 4.37Å; W50-K58 VanDerWaalsContact CE2-CG 3.44Å; W50-K58 HydrophobicContact CH2-CB 4.26Å; W50-K58 HydrophobicContact CH2-CG 4.21Å; W50-K58 HydrophobicContact CZ2-CB 3.42Å; W50-K58 VanDerWaalsContact CZ2-CB 3.42Å; W50-K58 HydrophobicContact CZ2-CD 4.13Å; W50-K58 HydrophobicContact CZ2-CG 3.37Å; W50-K58 WeakPolarHBondContact O-CE 3.31Å; W50-K58 PolarHBondContact O-NZ 3.29Å; S53-K58 WeakPolarHBondContact O-CE 3.33Å; S53-K58 PolarHBondContact O-NZ 3.35Å; N54-K58 WeakPolarHBondContact O-CG 3.3Å; N54-K58 PolarHBondContact O-N 3.21Å; N54-K58 VanDerWaalsContact O-N 3.16Å; F55-K58 WeakPolarHBondContact O-CB 3.27Å; F55-K58 PolarHBondContact O-N 3.33Å; S56-K58 VanDerWaalsContact C-N 3.31Å; K58-H60 VanDerWaalsContact C-N 3.34Å; K58-H60 PolarHBondContact O-N 3.37Å; K58-I61 PolarHBondContact O-N 3.04Å; K58-L62 WeakPolarHBondContact O-CG 3.22Å; K58-L62 PolarHBondContact O-N 3.25Å
59Q73.5Confident71.7Confident75 Ų7552.3 Ų52.335%0.3529%0.285SS..Hα-helixtrans-63-40.2178.7-169.863.954.400112.3F55 I61 L62 N63F55-Q59 PolarHBondContact O-N 2.89Å; Q59-I61 VanDerWaalsContact C-N 3.35Å; Q59-I61 PolarHBondContact O-N 3.47Å; Q59-L62 PolarHBondContact O-N 2.72Å; Q59-N63 PolarHBondContact NE2-OD1 3.38Å; Q59-N63 VanDerWaalsContact O-CG 3.24Å; Q59-N63 PolarHBondContact O-N 2.94Å; Q59-N63 PolarHBondContact O-OD1 3.19Å
60H71.8Confident72.3Confident91 Ų9155.4 Ų55.442%0.42130%0.295SS..Hα-helixtrans-63.3-41.8177.5-173.570.1000112S56 N57 K58 L64S56-H60 PolarHBondContact O-N 3.46Å; S56-H60 VanDerWaalsContact O-N 3.1Å; N57-H60 PolarHBondContact O-N 3.3Å; K58-H60 VanDerWaalsContact C-N 3.34Å; K58-H60 PolarHBondContact O-N 3.37Å; H60-L64 WeakPolarHBondContact O-CB 3.23Å; H60-L64 PolarHBondContact O-N 2.88Å
61I73.7Confident73Confident18 Ų1856.3 Ų56.39%0.09230%0.299CS..Hα-helixtrans-62.7-46.6174.1-70.5160.7000110.2F45 W50 N57 K58 Q59 N63 L64 L65 F97 L101F45-I61 HydrophobicContact CZ-CD1 4.41Å; W50-I61 HydrophobicContact CH2-CB 4Å; W50-I61 HydrophobicContact CH2-CD1 4.08Å; W50-I61 HydrophobicContact CH2-CG2 3.81Å; W50-I61 HydrophobicContact CZ3-CD1 4.26Å; W50-I61 HydrophobicContact CZ3-CG2 4.17Å; N57-I61 WeakPolarHBondContact O-CB 3.3Å; N57-I61 WeakPolarHBondContact O-CD1 3.28Å; N57-I61 VanDerWaalsContact O-CG1 3.27Å; N57-I61 WeakPolarHBondContact O-CG1 3.49Å; N57-I61 PolarHBondContact O-N 3.26Å; K58-I61 PolarHBondContact O-N 3.04Å; Q59-I61 VanDerWaalsContact C-N 3.35Å; Q59-I61 PolarHBondContact O-N 3.47Å; I61-N63 PolarHBondContact O-N 2.9Å; I61-L64 PolarHBondContact O-N 2.93Å; I61-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 HydrophobicContact CG2-CG 4.24Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.39Å; I61-L65 PolarHBondContact O-N 3.32Å; I61-F97 HydrophobicContact CG2-CE1 4.05Å; I61-F97 HydrophobicContact CG2-CZ 4.12Å; I61-L101 HydrophobicContact CG2-CD1 4.27Å
62L79Confident73.7Confident4 Ų448.6 Ų48.62%0.02126%0.263CS..Hα-helixtrans-57.6-49.7178.1-71169.8000111.8K58 Q59 L64 L65 D66 L101 E105K58-L62 WeakPolarHBondContact O-CG 3.22Å; K58-L62 PolarHBondContact O-N 3.25Å; Q59-L62 PolarHBondContact O-N 2.72Å; L62-L64 VanDerWaalsContact C-N 3.29Å; L62-L64 PolarHBondContact O-N 2.83Å; L62-L65 PolarHBondContact O-N 3.49Å; L62-L65 VanDerWaalsContact O-N 3.13Å; L62-D66 PolarHBondContact O-N 3.48Å; L62-L101 HydrophobicContact CD2-CB 3.86Å; L62-L101 HydrophobicContact CD2-CD1 3.81Å; L62-E105 HydrophobicContact CD1-CG 4.01Å; L62-E105 HydrophobicContact CD2-CG 4.28Å
63N78.7Confident74.7Confident87 Ų8749.6 Ų49.647%0.46526%0.259SS..Hα-helixtrans-60.4-38.5178.2-67.4-2.1000112.3Q59 I61 S67Q59-N63 PolarHBondContact NE2-OD1 3.38Å; Q59-N63 VanDerWaalsContact O-CG 3.24Å; Q59-N63 PolarHBondContact O-N 2.94Å; Q59-N63 PolarHBondContact O-OD1 3.19Å; I61-N63 PolarHBondContact O-N 2.9Å; N63-S67 WeakPolarHBondContact O-CB 3.3Å; N63-S67 PolarHBondContact O-N 3.41Å
64L76Confident75.6Confident28 Ų2854.9 Ų54.915%0.14729%0.286CS..Hα-helixtrans-65.5-43.8175.9177.864.7000111.3L25 H60 I61 L62 S67 I68L25-L64 HydrophobicContact CB-CD1 3.85Å; L25-L64 HydrophobicContact CD1-CD2 3.87Å; H60-L64 WeakPolarHBondContact O-CB 3.23Å; H60-L64 PolarHBondContact O-N 2.88Å; I61-L64 PolarHBondContact O-N 2.93Å; L62-L64 VanDerWaalsContact C-N 3.29Å; L62-L64 PolarHBondContact O-N 2.83Å; L64-S67 PolarHBondContact O-N 3.07Å; L64-I68 HydrophobicContact CD1-CD1 3.94Å; L64-I68 HydrophobicContact CD1-CG1 4.32Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 VanDerWaalsContact O-CG1 3.24Å; L64-I68 WeakPolarHBondContact O-CG1 3.24Å; L64-I68 PolarHBondContact O-N 3.47Å
65L81.8Confident76.1Confident4 Ų454.6 Ų54.62%0.02128%0.278CS..Hα-helixtrans-63.3-44.2178.2-65172.5000111.3I61 L62 S67 I68 I69 V94 F97 R98 L101I61-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 HydrophobicContact CG2-CG 4.24Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.39Å; I61-L65 PolarHBondContact O-N 3.32Å; L62-L65 PolarHBondContact O-N 3.49Å; L62-L65 VanDerWaalsContact O-N 3.13Å; L65-S67 PolarHBondContact O-N 3.14Å; L65-I68 PolarHBondContact O-N 2.85Å; L65-I69 VanDerWaalsContact O-CG1 3.3Å; L65-I69 WeakPolarHBondContact O-CG1 3.46Å; L65-I69 PolarHBondContact O-N 3Å; L65-V94 HydrophobicContact CB-CG1 4.12Å; L65-V94 HydrophobicContact CD2-CG1 3.77Å; L65-F97 HydrophobicContact CD1-CD1 3.61Å; L65-F97 HydrophobicContact CD1-CE1 3.62Å; L65-F97 HydrophobicContact CD1-CG 4.23Å; L65-F97 HydrophobicContact CD1-CZ 4.26Å; L65-F97 HydrophobicContact CD2-CD1 3.43Å; L65-F97 VanDerWaalsContact CD2-CD1 3.43Å; L65-F97 HydrophobicContact CD2-CE1 3.77Å; L65-F97 HydrophobicContact CD2-CG 4.48Å; L65-F97 HydrophobicContact CG-CD1 4.15Å; L65-F97 HydrophobicContact CG-CE1 4.21Å; L65-R98 HydrophobicContact CD1-CB 4.46Å; L65-L101 HydrophobicContact CD1-CD1 3.68Å
66D84.6Confident76.8Confident55 Ų5550.3 Ų50.329%0.29426%0.264SS..Hα-helixtrans-61.7-44.9178.3-68.7-19.7000110.9L62 I68 I69 D70 R98L62-D66 PolarHBondContact O-N 3.48Å; D66-I68 VanDerWaalsContact C-N 3.32Å; D66-I68 PolarHBondContact O-N 3.35Å; D66-I69 PolarHBondContact O-N 3.23Å; D66-D70 PolarHBondContact O-N 2.75Å; D66-R98 IonicContact OD1-CZ 4Å; D66-R98 IonicContact OD1-NE 2.8Å; D66-R98 PolarHBondContact OD1-NE 3.49Å; D66-R98 IonicContact OD1-NH2 3.67Å; D66-R98 IonicContact OD2-CZ 2.71Å; D66-R98 IonicContact OD2-NE 3.85Å; D66-R98 IonicContact OD2-NH2 3.61Å; D66-R98 PolarHBondContact OD2-NH2 2.98Å
67S81.3Confident77Confident56 Ų5653.2 Ų53.239%0.39227%0.267SS..Hα-helixtrans-60.5-38.2174.8-177.90000113.2N63 L64 L65 E71N63-S67 WeakPolarHBondContact O-CB 3.3Å; N63-S67 PolarHBondContact O-N 3.41Å; L64-S67 PolarHBondContact O-N 3.07Å; L65-S67 PolarHBondContact O-N 3.14Å; S67-E71 PolarHBondContact O-N 3.34Å; S67-E71 VanDerWaalsContact O-N 3.12Å
68I79Confident76.9Confident2 Ų253.3 Ų53.31%0.0127%0.272CS..Hα-helixtrans-72.5-38.2178.5-68.6170.8000110.9R34 I38 L64 L65 D66 D70 E71 Y72 V94R34-I68 HydrophobicContact CB-CD1 4.41Å; I38-I68 HydrophobicContact CD1-CD1 3.82Å; I38-I68 HydrophobicContact CD1-CG2 4.22Å; I38-I68 HydrophobicContact CG1-CD1 4.29Å; L64-I68 HydrophobicContact CD1-CD1 3.94Å; L64-I68 HydrophobicContact CD1-CG1 4.32Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 VanDerWaalsContact O-CG1 3.24Å; L64-I68 WeakPolarHBondContact O-CG1 3.24Å; L64-I68 PolarHBondContact O-N 3.47Å; L65-I68 PolarHBondContact O-N 2.85Å; D66-I68 VanDerWaalsContact C-N 3.32Å; D66-I68 PolarHBondContact O-N 3.35Å; I68-D70 VanDerWaalsContact C-N 3.34Å; I68-E71 PolarHBondContact O-N 3.12Å; I68-Y72 HydrophobicContact CG2-CD1 4.44Å; I68-Y72 HydrophobicContact CG2-CD2 3.52Å; I68-Y72 HydrophobicContact CG2-CE1 4.21Å; I68-Y72 HydrophobicContact CG2-CE2 3.17Å; I68-Y72 HydrophobicContact CG2-CG 4.16Å; I68-Y72 WeakPolarHBondContact O-CB 3.48Å; I68-Y72 VanDerWaalsContact O-CG 3.31Å; I68-Y72 PolarHBondContact O-N 3.21Å; I68-V94 HydrophobicContact CB-CG1 4.41Å; I68-V94 HydrophobicContact CG2-CG1 4.25Å; I68-V94 HydrophobicContact CG2-CG2 3.9Å
69I84Confident76.1Confident15 Ų1559.3 Ų59.38%0.07731%0.306CS..Hα-helixtrans-59.5-47.7174.9-74.1166.4000110.2L65 D66 Y72 K73 L91 V94 Q95 R98L65-I69 VanDerWaalsContact O-CG1 3.3Å; L65-I69 WeakPolarHBondContact O-CG1 3.46Å; L65-I69 PolarHBondContact O-N 3Å; D66-I69 PolarHBondContact O-N 3.23Å; I69-Y72 PolarHBondContact O-N 3.25Å; I69-K73 HydrophobicContact CG2-CD 4.1Å; I69-K73 WeakPolarHBondContact O-CB 3.37Å; I69-K73 WeakPolarHBondContact O-CG 3.22Å; I69-K73 PolarHBondContact O-N 3.2Å; I69-L91 HydrophobicContact CB-CD1 4.27Å; I69-L91 HydrophobicContact CG1-CD1 4.27Å; I69-L91 HydrophobicContact CG2-CD1 3.94Å; I69-V94 HydrophobicContact CD1-CG1 4.01Å; I69-V94 HydrophobicContact CG1-CB 4.25Å; I69-V94 HydrophobicContact CG1-CG1 3.55Å; I69-Q95 HydrophobicContact CD1-CG 4.07Å; I69-Q95 HydrophobicContact CG1-CG 4.14Å; I69-R98 HydrophobicContact CD1-CB 4.03Å; I69-R98 HydrophobicContact CD1-CG 4.06Å
70D82.9Confident75.5Confident92 Ų9258.8 Ų58.849%0.49231%0.307SS..Hα-helixtrans-63.5-43-179.8-71.9-16.8000111.4D66 I68 L74D66-D70 PolarHBondContact O-N 2.75Å; I68-D70 VanDerWaalsContact C-N 3.34Å; D70-L74 WeakPolarHBondContact O-CG 3.32Å; D70-L74 PolarHBondContact O-N 3.01Å; D70-L74 VanDerWaalsContact O-N 3.14Å
71E80.6Confident74.9Confident23 Ų2361 Ų6111%0.10732%0.322CS..Hα-helixtrans-62.8-46.2176-172.4-173137.700112.5P28 R34 S67 I68 L74 R75P28-E71 VanDerWaalsContact CB-OE1 3.3Å; P28-E71 WeakPolarHBondContact CB-OE1 3.38Å; R34-E71 IonicContact CZ-OE1 2.84Å; R34-E71 IonicContact CZ-OE2 3.66Å; R34-E71 IonicContact NH1-OE1 3.03Å; R34-E71 PolarHBondContact NH1-OE1 3.13Å; R34-E71 IonicContact NH1-OE2 3.55Å; R34-E71 PolarHBondContact NH1-OE2 2.88Å; R34-E71 IonicContact NH2-OE1 2.62Å; R34-E71 IonicContact NH2-OE2 3.27Å; R34-E71 PolarHBondContact NH2-OE2 2.8Å; S67-E71 PolarHBondContact O-N 3.34Å; S67-E71 VanDerWaalsContact O-N 3.12Å; I68-E71 PolarHBondContact O-N 3.12Å; E71-L74 PolarHBondContact O-N 3.5Å; E71-R75 WeakPolarHBondContact O-CG 3.45Å; E71-R75 PolarHBondContact O-N 3.43Å; E71-R75 IonicContact OE1-CZ 2.86Å; E71-R75 IonicContact OE1-NE 3.32Å; E71-R75 PolarHBondContact OE1-NE 3.31Å
72Y80.7Confident74.2Confident0 Ų067.5 Ų67.50%036%0.357CS..Hα-helixtrans-70.2-32.7-177.6-69-12.9000112.7I68 I69 R75 S76 F87 M90 V94I68-Y72 HydrophobicContact CG2-CD1 4.44Å; I68-Y72 HydrophobicContact CG2-CD2 3.52Å; I68-Y72 HydrophobicContact CG2-CE1 4.21Å; I68-Y72 HydrophobicContact CG2-CE2 3.17Å; I68-Y72 HydrophobicContact CG2-CG 4.16Å; I68-Y72 WeakPolarHBondContact O-CB 3.48Å; I68-Y72 VanDerWaalsContact O-CG 3.31Å; I68-Y72 PolarHBondContact O-N 3.21Å; I69-Y72 PolarHBondContact O-N 3.25Å; Y72-R75 PolarHBondContact O-N 3.14Å; Y72-S76 WeakPolarHBondContact O-CB 3.5Å; Y72-S76 PolarHBondContact O-N 3.39Å; Y72-S76 PolarHBondContact O-OG 2.95Å; Y72-F87 AromaticContact CD1-CD1 3.32Å; Y72-F87 HydrophobicContact CD1-CD1 3.32Å; Y72-F87 AromaticContact CD1-CE1 3.75Å; Y72-F87 HydrophobicContact CD1-CE1 3.75Å; Y72-F87 HydrophobicContact CD1-CG 4.36Å; Y72-F87 AromaticContact CE1-CD1 3.5Å; Y72-F87 HydrophobicContact CE1-CD1 3.5Å; Y72-F87 VanDerWaalsContact CE1-CD1 3.5Å; Y72-F87 AromaticContact CE1-CE1 3.54Å; Y72-F87 HydrophobicContact CE1-CE1 3.54Å; Y72-F87 HydrophobicContact CG-CD1 4.01Å; Y72-M90 HydrophobicContact CD2-CB 3.81Å; Y72-M90 HydrophobicContact CE2-CB 3.41Å; Y72-M90 VanDerWaalsContact CE2-CB 3.41Å; Y72-M90 HydrophobicContact CE2-CE 4.32Å; Y72-M90 HydrophobicContact CE2-CG 4.39Å; Y72-V94 HydrophobicContact CE2-CG2 4.27Å
73K80.6Confident73.2Confident90 Ų9071 Ų7139%0.39138%0.376SS..Hα-helixtrans-59-52.7168.9-77.7173.3178.7173.20111.2I69 R75 S76 E77 L91I69-K73 HydrophobicContact CG2-CD 4.1Å; I69-K73 WeakPolarHBondContact O-CB 3.37Å; I69-K73 WeakPolarHBondContact O-CG 3.22Å; I69-K73 PolarHBondContact O-N 3.2Å; K73-R75 PolarHBondContact O-N 2.8Å; K73-S76 PolarHBondContact O-N 2.78Å; K73-S76 PolarHBondContact O-OG 2.71Å; K73-E77 PolarHBondContact O-N 2.83Å; K73-L91 HydrophobicContact CG-CD1 4.12Å; K73-L91 HydrophobicContact CG-CD2 3.98Å
74L79.2Confident72.6Confident122 Ų12268.1 Ų68.164%0.63936%0.36SS*.Hα-helixtrans-58-36.9178.9-71.6170.7000112.5D70 E71D70-L74 WeakPolarHBondContact O-CG 3.32Å; D70-L74 PolarHBondContact O-N 3.01Å; D70-L74 VanDerWaalsContact O-N 3.14Å; E71-L74 PolarHBondContact O-N 3.5Å
75R74.6Confident72.6Confident85 Ų8570.2 Ų70.232%0.32138%0.377SS..Hα-helixtrans-77.7-34.4179.1-71178.5171.7-123-13.8113.1E71 Y72 K73 E77 S78 N84 F87E71-R75 WeakPolarHBondContact O-CG 3.45Å; E71-R75 PolarHBondContact O-N 3.43Å; E71-R75 IonicContact OE1-CZ 2.86Å; E71-R75 IonicContact OE1-NE 3.32Å; E71-R75 PolarHBondContact OE1-NE 3.31Å; Y72-R75 PolarHBondContact O-N 3.14Å; K73-R75 PolarHBondContact O-N 2.8Å; R75-E77 PolarHBondContact O-N 3.2Å; R75-S78 WeakPolarHBondContact O-CB 3.42Å; R75-S78 PolarHBondContact O-N 3.1Å; R75-S78 PolarHBondContact O-OG 3.49Å; R75-N84 PolarHBondContact O-OD1 3.33Å; R75-F87 HydrophobicContact CB-CD1 4.44Å; R75-F87 HydrophobicContact CB-CD2 3.67Å; R75-F87 HydrophobicContact CB-CE2 3.94Å; R75-F87 HydrophobicContact CB-CG 3.98Å; R75-F87 HydrophobicContact CG-CE2 4.34Å; R75-F87 VanDerWaalsContact NH1-CZ 3.28Å
76S68.6Low72.3Confident37 Ų3773.1 Ų73.126%0.25939%0.388SS..Hα-helixtrans-65.9-20.8175.1680000113.2Y72 K73 S78 N84Y72-S76 WeakPolarHBondContact O-CB 3.5Å; Y72-S76 PolarHBondContact O-N 3.39Å; Y72-S76 PolarHBondContact O-OG 2.95Å; K73-S76 PolarHBondContact O-N 2.78Å; K73-S76 PolarHBondContact O-OG 2.71Å; S76-S78 VanDerWaalsContact C-N 3.29Å; S76-N84 PolarHBondContact O-OD1 3.39Å
77E69.8Low71.9Confident150 Ų15071 Ų7170%0.70138%0.376SS*.THydrogen-bonded Turntrans-80.3-8172.1-68174.9-172.800113K73 R75K73-E77 PolarHBondContact O-N 2.83Å; R75-E77 PolarHBondContact O-N 3.2Å
78S63.5Low71.8Confident52 Ų5271.2 Ų71.236%0.36438%0.376SS..SBendtrans-87.7129.8178.9740000111.4R75 S76 T80 N84R75-S78 WeakPolarHBondContact O-CB 3.42Å; R75-S78 PolarHBondContact O-N 3.1Å; R75-S78 PolarHBondContact O-OG 3.49Å; S76-S78 VanDerWaalsContact C-N 3.29Å; S78-T80 PolarHBondContact O-N 3.11Å; S78-N84 VanDerWaalsContact O-CG 3.32Å; S78-N84 PolarHBondContact O-ND2 3.25Å; S78-N84 PolarHBondContact O-OD1 2.91Å
79D54.5Low72Confident160 Ų16075.2 Ų75.286%0.85640%0.397SS*.SBendtrans-70.454.9-171-77.1-32.9000115.1
80T60Low71.8Confident63 Ų6374.6 Ų74.639%0.38739%0.394SS..  trans-124.4100.7170.745.70000110.2S78 D82 I83 N84S78-T80 PolarHBondContact O-N 3.11Å; T80-D82 PolarHBondContact O-N 3.38Å; T80-I83 HydrophobicContact CG2-CD1 4.49Å; T80-I83 WeakPolarHBondContact O-CB 3.47Å; T80-I83 PolarHBondContact O-N 3.01Å; T80-I83 VanDerWaalsContact O-N 3.07Å; T80-I83 WeakPolarHBondContact OG1-CB 3.29Å; T80-N84 VanDerWaalsContact O-CG 3.29Å; T80-N84 PolarHBondContact O-N 3.14Å; T80-N84 PolarHBondContact O-ND2 2.83Å
81D60.5Low71.9Confident137 Ų13771.1 Ų71.173%0.73338%0.375SS*.Hα-helixtrans-54.2-46.1-168.7-72.9-25.2000114.6I83 N84 S85D81-I83 VanDerWaalsContact C-N 3.29Å; D81-I83 PolarHBondContact O-N 3.27Å; D81-N84 PolarHBondContact O-N 2.86Å; D81-S85 PolarHBondContact O-N 2.99Å
82D58.5Low72.1Confident155 Ų15574.9 Ų74.983%0.82940%0.395SS*.Hα-helixtrans-66.8-34-179.5-71.2-24.9000112.1T80T80-D82 PolarHBondContact O-N 3.38Å
83I57.4Low72.2Confident79 Ų7978.1 Ų78.141%0.40541%0.41SS..Hα-helixtrans-75.9-32.9179.3-69.4177.5000110.3T80 D81 Y86 F87T80-I83 HydrophobicContact CG2-CD1 4.49Å; T80-I83 WeakPolarHBondContact O-CB 3.47Å; T80-I83 PolarHBondContact O-N 3.01Å; T80-I83 VanDerWaalsContact O-N 3.07Å; T80-I83 WeakPolarHBondContact OG1-CB 3.29Å; D81-I83 VanDerWaalsContact C-N 3.29Å; D81-I83 PolarHBondContact O-N 3.27Å; I83-Y86 PolarHBondContact O-N 3.01Å; I83-F87 HydrophobicContact CG2-CD2 3.35Å; I83-F87 HydrophobicContact CG2-CE2 3.17Å; I83-F87 HydrophobicContact CG2-CZ 4.4Å; I83-F87 WeakPolarHBondContact O-CD2 3.33Å; I83-F87 PolarHBondContact O-N 3.46Å; I83-F87 VanDerWaalsContact O-N 3.11Å
84N66Low72.3Confident25 Ų2573.9 Ų73.913%0.13439%0.391CS..Hα-helixtrans-66.1-39.4179-75.4-17.2000112.7R75 S76 S78 T80 D81 F87 T88R75-N84 PolarHBondContact O-OD1 3.33Å; S76-N84 PolarHBondContact O-OD1 3.39Å; S78-N84 VanDerWaalsContact O-CG 3.32Å; S78-N84 PolarHBondContact O-ND2 3.25Å; S78-N84 PolarHBondContact O-OD1 2.91Å; T80-N84 VanDerWaalsContact O-CG 3.29Å; T80-N84 PolarHBondContact O-N 3.14Å; T80-N84 PolarHBondContact O-ND2 2.83Å; D81-N84 PolarHBondContact O-N 2.86Å; N84-F87 PolarHBondContact O-N 3.2Å; N84-T88 WeakPolarHBondContact O-CB 3.44Å; N84-T88 PolarHBondContact O-N 3.14Å; N84-T88 PolarHBondContact O-OG1 2.91Å
85S76.9Confident72.7Confident73 Ų7370.9 Ų70.951%0.5137%0.374SS..Hα-helixtrans-60-48.7176.5-174.50000111.6D81 F87 T88 D89D81-S85 PolarHBondContact O-N 2.99Å; S85-F87 PolarHBondContact O-N 3.4Å; S85-T88 PolarHBondContact O-N 2.96Å; S85-D89 WeakPolarHBondContact O-CB 3.47Å; S85-D89 PolarHBondContact O-N 3.31Å
86Y75.9Confident73.1Confident64 Ų6475.1 Ų75.125%0.25139%0.39SS..Hα-helixtrans-58.9-50.6177.5174.6-97.2000112.5E35 I83 T88 D89 M90E35-Y86 WeakPolarHBondContact OE2-CE2 3.26Å; E35-Y86 PolarHBondContact OE2-OH 3.33Å; I83-Y86 PolarHBondContact O-N 3.01Å; Y86-T88 VanDerWaalsContact C-N 3.33Å; Y86-T88 PolarHBondContact O-N 2.84Å; Y86-D89 PolarHBondContact O-N 3.43Å; Y86-M90 HydrophobicContact CD1-CG 4.49Å; Y86-M90 HydrophobicContact CD2-CG 4.35Å; Y86-M90 HydrophobicContact CE1-CG 4.04Å; Y86-M90 HydrophobicContact CE2-CG 3.89Å; Y86-M90 WeakPolarHBondContact O-CB 3.36Å; Y86-M90 WeakPolarHBondContact O-CG 3.34Å; Y86-M90 PolarHBondContact O-N 3.49Å
87F75.6Confident73.7Confident10 Ų1073.4 Ų73.44%0.04438%0.378CS..Hα-helixtrans-68.1-33.5-179-72.8-54.8000112.7Y72 R75 I83 N84 S85 L91Y72-F87 AromaticContact CD1-CD1 3.32Å; Y72-F87 HydrophobicContact CD1-CD1 3.32Å; Y72-F87 AromaticContact CD1-CE1 3.75Å; Y72-F87 HydrophobicContact CD1-CE1 3.75Å; Y72-F87 HydrophobicContact CD1-CG 4.36Å; Y72-F87 AromaticContact CE1-CD1 3.5Å; Y72-F87 HydrophobicContact CE1-CD1 3.5Å; Y72-F87 VanDerWaalsContact CE1-CD1 3.5Å; Y72-F87 AromaticContact CE1-CE1 3.54Å; Y72-F87 HydrophobicContact CE1-CE1 3.54Å; Y72-F87 HydrophobicContact CG-CD1 4.01Å; R75-F87 HydrophobicContact CB-CD1 4.44Å; R75-F87 HydrophobicContact CB-CD2 3.67Å; R75-F87 HydrophobicContact CB-CE2 3.94Å; R75-F87 HydrophobicContact CB-CG 3.98Å; R75-F87 HydrophobicContact CG-CE2 4.34Å; R75-F87 VanDerWaalsContact NH1-CZ 3.28Å; I83-F87 HydrophobicContact CG2-CD2 3.35Å; I83-F87 HydrophobicContact CG2-CE2 3.17Å; I83-F87 HydrophobicContact CG2-CZ 4.4Å; I83-F87 WeakPolarHBondContact O-CD2 3.33Å; I83-F87 PolarHBondContact O-N 3.46Å; I83-F87 VanDerWaalsContact O-N 3.11Å; N84-F87 PolarHBondContact O-N 3.2Å; S85-F87 PolarHBondContact O-N 3.4Å; F87-L91 WeakPolarHBondContact O-CB 3.48Å; F87-L91 PolarHBondContact O-N 3.29Å
88T79.2Confident74.3Confident62 Ų6268 Ų6838%0.3835%0.351SS..Hα-helixtrans-64.7-48174.5-59.70000111N84 S85 Y86 M90 L91 L92N84-T88 WeakPolarHBondContact O-CB 3.44Å; N84-T88 PolarHBondContact O-N 3.14Å; N84-T88 PolarHBondContact O-OG1 2.91Å; S85-T88 PolarHBondContact O-N 2.96Å; Y86-T88 VanDerWaalsContact C-N 3.33Å; Y86-T88 PolarHBondContact O-N 2.84Å; T88-M90 VanDerWaalsContact C-N 3.33Å; T88-M90 PolarHBondContact O-N 3.27Å; T88-L91 WeakPolarHBondContact O-CB 3.41Å; T88-L91 PolarHBondContact O-N 2.93Å; T88-L92 HydrophobicContact CG2-CD1 4.49Å; T88-L92 WeakPolarHBondContact O-CG 3.32Å; T88-L92 PolarHBondContact O-N 3.48Å
89D82.9Confident75.2Confident86 Ų8670.4 Ų70.446%0.4636%0.36SS..Hα-helixtrans-61.3-43.3177.6-82.8-6.7000111.8S85 Y86 L92 K93S85-D89 WeakPolarHBondContact O-CB 3.47Å; S85-D89 PolarHBondContact O-N 3.31Å; Y86-D89 PolarHBondContact O-N 3.43Å; D89-L92 PolarHBondContact O-N 2.95Å; D89-K93 WeakPolarHBondContact O-CG 3.22Å; D89-K93 PolarHBondContact O-N 3.4Å
90M80.4Confident76.4Confident1 Ų166.2 Ų66.21%0.00534%0.336CS..Hα-helixtrans-68.5-38.7178.1-75.2-56.5-58.900112.3E35 I38 Y72 Y86 T88 L92 K93 V94E35-M90 HydrophobicContact CB-CE 3.75Å; E35-M90 HydrophobicContact CB-SD 4.3Å; E35-M90 VanDerWaalsContact CD-SD 3.55Å; E35-M90 HydrophobicContact CG-CE 3.71Å; E35-M90 HydrophobicContact CG-SD 3.77Å; I38-M90 HydrophobicContact CD1-CE 3.87Å; Y72-M90 HydrophobicContact CD2-CB 3.81Å; Y72-M90 HydrophobicContact CE2-CB 3.41Å; Y72-M90 VanDerWaalsContact CE2-CB 3.41Å; Y72-M90 HydrophobicContact CE2-CE 4.32Å; Y72-M90 HydrophobicContact CE2-CG 4.39Å; Y86-M90 HydrophobicContact CD1-CG 4.49Å; Y86-M90 HydrophobicContact CD2-CG 4.35Å; Y86-M90 HydrophobicContact CE1-CG 4.04Å; Y86-M90 HydrophobicContact CE2-CG 3.89Å; Y86-M90 WeakPolarHBondContact O-CB 3.36Å; Y86-M90 WeakPolarHBondContact O-CG 3.34Å; Y86-M90 PolarHBondContact O-N 3.49Å; T88-M90 VanDerWaalsContact C-N 3.33Å; T88-M90 PolarHBondContact O-N 3.27Å; M90-L92 VanDerWaalsContact C-N 3.35Å; M90-L92 PolarHBondContact O-N 2.81Å; M90-K93 PolarHBondContact O-N 3.24Å; M90-K93 HydrophobicContact SD-CD 3.75Å; M90-V94 VanDerWaalsContact O-CG2 3.22Å; M90-V94 WeakPolarHBondContact O-CG2 3.3Å; M90-V94 PolarHBondContact O-N 2.74Å
91L83.8Confident77.2Confident20 Ų2063.4 Ų63.411%0.10532%0.318CS..Hα-helixtrans-58.1-47.4172.6177.761.7000110.8I69 K73 F87 T88 K93 V94 Q95I69-L91 HydrophobicContact CB-CD1 4.27Å; I69-L91 HydrophobicContact CG1-CD1 4.27Å; I69-L91 HydrophobicContact CG2-CD1 3.94Å; K73-L91 HydrophobicContact CG-CD1 4.12Å; K73-L91 HydrophobicContact CG-CD2 3.98Å; F87-L91 WeakPolarHBondContact O-CB 3.48Å; F87-L91 PolarHBondContact O-N 3.29Å; T88-L91 WeakPolarHBondContact O-CB 3.41Å; T88-L91 PolarHBondContact O-N 2.93Å; L91-K93 PolarHBondContact O-N 3.27Å; L91-V94 PolarHBondContact O-N 3.04Å; L91-Q95 HydrophobicContact CD1-CG 3.99Å; L91-Q95 HydrophobicContact CG-CG 4.38Å; L91-Q95 VanDerWaalsContact O-CB 3.32Å; L91-Q95 WeakPolarHBondContact O-CB 3.39Å; L91-Q95 VanDerWaalsContact O-CG 3.27Å; L91-Q95 WeakPolarHBondContact O-CG 3.36Å; L91-Q95 PolarHBondContact O-N 3.27Å
92L85.5Confident77.9Confident101 Ų10163 Ų6353%0.52931%0.312SS..Hα-helixtrans-61.1-41.9177.3-70.1173.6000112.3T88 D89 M90 R96T88-L92 HydrophobicContact CG2-CD1 4.49Å; T88-L92 WeakPolarHBondContact O-CG 3.32Å; T88-L92 PolarHBondContact O-N 3.48Å; D89-L92 PolarHBondContact O-N 2.95Å; M90-L92 VanDerWaalsContact C-N 3.35Å; M90-L92 PolarHBondContact O-N 2.81Å; L92-R96 VanDerWaalsContact O-CB 3.22Å; L92-R96 WeakPolarHBondContact O-CB 3.27Å; L92-R96 PolarHBondContact O-N 3.24Å
93K83.4Confident78.6Confident69 Ų6960.5 Ų60.530%0.330%0.304SS..Hα-helixtrans-63-46.1176.5-72.2169.6-173.4167.60111.7E35 M39 L42 D89 M90 L91 R96 F97E35-K93 IonicContact OE1-NZ 3.57Å; M39-K93 HydrophobicContact SD-CD 4.25Å; L42-K93 HydrophobicContact CD1-CB 4.49Å; D89-K93 WeakPolarHBondContact O-CG 3.22Å; D89-K93 PolarHBondContact O-N 3.4Å; M90-K93 PolarHBondContact O-N 3.24Å; M90-K93 HydrophobicContact SD-CD 3.75Å; L91-K93 PolarHBondContact O-N 3.27Å; K93-R96 PolarHBondContact O-N 2.86Å; K93-F97 WeakPolarHBondContact O-CB 3.4Å; K93-F97 PolarHBondContact O-N 2.86Å
94V83.4Confident79.1Confident0 Ų061.1 Ų61.10%030%0.302CS..Hα-helixtrans-69.1-42.1-178.6178.90000110.9I38 L65 I68 I69 Y72 M90 L91 F97 R98I38-V94 HydrophobicContact CD1-CG2 3.4Å; I38-V94 VanDerWaalsContact CD1-CG2 3.4Å; I38-V94 HydrophobicContact CG1-CG2 4.09Å; I38-V94 HydrophobicContact CG2-CG2 4.03Å; L65-V94 HydrophobicContact CB-CG1 4.12Å; L65-V94 HydrophobicContact CD2-CG1 3.77Å; I68-V94 HydrophobicContact CB-CG1 4.41Å; I68-V94 HydrophobicContact CG2-CG1 4.25Å; I68-V94 HydrophobicContact CG2-CG2 3.9Å; I69-V94 HydrophobicContact CD1-CG1 4.01Å; I69-V94 HydrophobicContact CG1-CB 4.25Å; I69-V94 HydrophobicContact CG1-CG1 3.55Å; Y72-V94 HydrophobicContact CE2-CG2 4.27Å; M90-V94 VanDerWaalsContact O-CG2 3.22Å; M90-V94 WeakPolarHBondContact O-CG2 3.3Å; M90-V94 PolarHBondContact O-N 2.74Å; L91-V94 PolarHBondContact O-N 3.04Å; V94-F97 WeakPolarHBondContact O-CB 3.34Å; V94-F97 PolarHBondContact O-N 3.17Å; V94-R98 VanDerWaalsContact O-CB 3.28Å; V94-R98 WeakPolarHBondContact O-CB 3.33Å; V94-R98 PolarHBondContact O-N 3.35Å
95Q85.8Confident79.2Confident60 Ų6062.5 Ų62.528%0.2831%0.308SS..Hα-helixtrans-62.9-44.7174.3-75.7177.6-28.900112I69 L91 F97 R98 N99I69-Q95 HydrophobicContact CD1-CG 4.07Å; I69-Q95 HydrophobicContact CG1-CG 4.14Å; L91-Q95 HydrophobicContact CD1-CG 3.99Å; L91-Q95 HydrophobicContact CG-CG 4.38Å; L91-Q95 VanDerWaalsContact O-CB 3.32Å; L91-Q95 WeakPolarHBondContact O-CB 3.39Å; L91-Q95 VanDerWaalsContact O-CG 3.27Å; L91-Q95 WeakPolarHBondContact O-CG 3.36Å; L91-Q95 PolarHBondContact O-N 3.27Å; Q95-F97 VanDerWaalsContact C-N 3.27Å; Q95-F97 PolarHBondContact O-N 3.46Å; Q95-R98 WeakPolarHBondContact O-CB 3.15Å; Q95-R98 PolarHBondContact O-N 3.41Å; Q95-N99 WeakPolarHBondContact O-CB 3.49Å; Q95-N99 PolarHBondContact O-N 3.43Å; Q95-N99 PolarHBondContact O-OD1 2.95Å
96R83.8Confident78.5Confident174 Ų17464.7 Ų64.766%0.65731%0.313SS*.Hα-helixtrans-57.7-45.8174.3179.2179177.7175.71.4110.5L92 K93 N99 M100L92-R96 VanDerWaalsContact O-CB 3.22Å; L92-R96 WeakPolarHBondContact O-CB 3.27Å; L92-R96 PolarHBondContact O-N 3.24Å; K93-R96 PolarHBondContact O-N 2.86Å; R96-N99 PolarHBondContact O-N 2.97Å; R96-M100 VanDerWaalsContact O-CG 3.32Å; R96-M100 WeakPolarHBondContact O-CG 3.38Å; R96-M100 PolarHBondContact O-N 3.11Å; R96-M100 VanDerWaalsContact O-N 3.14Å
97F80.4Confident77.4Confident1 Ų166.3 Ų66.30%0.00433%0.332CS..Hα-helixtrans-60.7-49.3177.1-174.2-153.4000110.8C41 L42 F45 W50 I61 L65 K93 V94 Q95 N99 M100 L101C41-F97 HydrophobicContact CB-CD1 4.29Å; C41-F97 HydrophobicContact CB-CE1 3.44Å; C41-F97 VanDerWaalsContact CB-CE1 3.44Å; C41-F97 HydrophobicContact CB-CZ 3.67Å; L42-F97 HydrophobicContact CD1-CB 4.46Å; L42-F97 HydrophobicContact CD2-CB 3.46Å; L42-F97 VanDerWaalsContact CD2-CB 3.46Å; L42-F97 HydrophobicContact CD2-CD2 3.71Å; L42-F97 HydrophobicContact CD2-CG 3.63Å; L42-F97 HydrophobicContact CG-CB 3.92Å; L42-F97 HydrophobicContact CG-CD1 4.33Å; L42-F97 HydrophobicContact CG-CD2 4.28Å; L42-F97 HydrophobicContact CG-CG 3.9Å; F45-F97 HydrophobicContact CB-CE2 4.31Å; F45-F97 HydrophobicContact CD2-CD2 4.34Å; F45-F97 HydrophobicContact CD2-CE1 4.42Å; F45-F97 AromaticContact CD2-CE2 3.16Å; F45-F97 HydrophobicContact CD2-CE2 3.16Å; F45-F97 AromaticContact CD2-CZ 3.24Å; F45-F97 HydrophobicContact CD2-CZ 3.24Å; F45-F97 HydrophobicContact CE2-CE1 4.42Å; F45-F97 AromaticContact CE2-CE2 3.77Å; F45-F97 HydrophobicContact CE2-CE2 3.77Å; F45-F97 AromaticContact CE2-CZ 3.33Å; F45-F97 HydrophobicContact CE2-CZ 3.33Å; F45-F97 AromaticContact CG-CE2 3.93Å; F45-F97 HydrophobicContact CG-CE2 3.93Å; F45-F97 HydrophobicContact CG-CZ 4.36Å; F45-F97 HydrophobicContact CZ-CZ 4.48Å; W50-F97 HydrophobicContact CZ3-CE2 4.47Å; W50-F97 HydrophobicContact CZ3-CZ 4.14Å; I61-F97 HydrophobicContact CG2-CE1 4.05Å; I61-F97 HydrophobicContact CG2-CZ 4.12Å; L65-F97 HydrophobicContact CD1-CD1 3.61Å; L65-F97 HydrophobicContact CD1-CE1 3.62Å; L65-F97 HydrophobicContact CD1-CG 4.23Å; L65-F97 HydrophobicContact CD1-CZ 4.26Å; L65-F97 HydrophobicContact CD2-CD1 3.43Å; L65-F97 VanDerWaalsContact CD2-CD1 3.43Å; L65-F97 HydrophobicContact CD2-CE1 3.77Å; L65-F97 HydrophobicContact CD2-CG 4.48Å; L65-F97 HydrophobicContact CG-CD1 4.15Å; L65-F97 HydrophobicContact CG-CE1 4.21Å; K93-F97 WeakPolarHBondContact O-CB 3.4Å; K93-F97 PolarHBondContact O-N 2.86Å; V94-F97 WeakPolarHBondContact O-CB 3.34Å; V94-F97 PolarHBondContact O-N 3.17Å; Q95-F97 VanDerWaalsContact C-N 3.27Å; Q95-F97 PolarHBondContact O-N 3.46Å; F97-N99 VanDerWaalsContact C-N 3.33Å; F97-N99 PolarHBondContact O-N 3.4Å; F97-M100 WeakPolarHBondContact O-CB 3.37Å; F97-M100 PolarHBondContact O-N 3.45Å; F97-M100 VanDerWaalsContact O-N 3.07Å; F97-L101 HydrophobicContact CD2-CD1 4.38Å; F97-L101 HydrophobicContact CD2-CD2 4.42Å; F97-L101 HydrophobicContact CD2-CG 4.24Å; F97-L101 HydrophobicContact CE1-CD1 4.42Å; F97-L101 HydrophobicContact CE2-CD1 3.8Å; F97-L101 HydrophobicContact CE2-CD2 3.75Å; F97-L101 HydrophobicContact CE2-CG 3.86Å; F97-L101 HydrophobicContact CZ-CD1 3.78Å; F97-L101 HydrophobicContact CZ-CD2 4.4Å; F97-L101 HydrophobicContact CZ-CG 4.36Å; F97-L101 WeakPolarHBondContact O-CG 3.41Å; F97-L101 PolarHBondContact O-N 3.3Å
98R83.5Confident75.9Confident35 Ų3576.4 Ų76.413%0.13237%0.369CS..Hα-helixtrans-56.4-43179.3-176.160.6175.382.8-3112.9L65 D66 I69 V94 Q95 M100 L101 E102 E105L65-R98 HydrophobicContact CD1-CB 4.46Å; D66-R98 IonicContact OD1-CZ 4Å; D66-R98 IonicContact OD1-NE 2.8Å; D66-R98 PolarHBondContact OD1-NE 3.49Å; D66-R98 IonicContact OD1-NH2 3.67Å; D66-R98 IonicContact OD2-CZ 2.71Å; D66-R98 IonicContact OD2-NE 3.85Å; D66-R98 IonicContact OD2-NH2 3.61Å; D66-R98 PolarHBondContact OD2-NH2 2.98Å; I69-R98 HydrophobicContact CD1-CB 4.03Å; I69-R98 HydrophobicContact CD1-CG 4.06Å; V94-R98 VanDerWaalsContact O-CB 3.28Å; V94-R98 WeakPolarHBondContact O-CB 3.33Å; V94-R98 PolarHBondContact O-N 3.35Å; Q95-R98 WeakPolarHBondContact O-CB 3.15Å; Q95-R98 PolarHBondContact O-N 3.41Å; R98-M100 VanDerWaalsContact C-N 3.34Å; R98-M100 PolarHBondContact O-N 3.49Å; R98-L101 WeakPolarHBondContact O-CB 3.48Å; R98-L101 PolarHBondContact O-N 2.68Å; R98-E102 PolarHBondContact O-N 2.91Å; R98-E105 IonicContact CZ-OE1 3.18Å; R98-E105 IonicContact CZ-OE2 3.64Å; R98-E105 IonicContact NH1-OE1 2.78Å; R98-E105 PolarHBondContact NH1-OE1 2.67Å; R98-E105 IonicContact NH1-OE2 3.58Å; R98-E105 PolarHBondContact NH1-OE2 2.9Å; R98-E105 IonicContact NH2-OE1 2.75Å; R98-E105 PolarHBondContact NH2-OE1 3.46Å; R98-E105 IonicContact NH2-OE2 3.97Å
99N82.2Confident74.2Confident103 Ų10378.7 Ų78.755%0.55138%0.384SS*.Hα-helixtrans-66.9-34.2177.3-66.6-7.7000112.2Q95 R96 F97 L101 E102Q95-N99 WeakPolarHBondContact O-CB 3.49Å; Q95-N99 PolarHBondContact O-N 3.43Å; Q95-N99 PolarHBondContact O-OD1 2.95Å; R96-N99 PolarHBondContact O-N 2.97Å; F97-N99 VanDerWaalsContact C-N 3.33Å; F97-N99 PolarHBondContact O-N 3.4Å; N99-L101 PolarHBondContact O-N 3Å; N99-E102 WeakPolarHBondContact O-CB 3.18Å; N99-E102 PolarHBondContact O-N 3.43Å
100M79.2Confident72.3Confident73 Ų7381.5 Ų81.536%0.3640%0.399SS..Hα-helixtrans-64.5-20.4173.2-68.4175.265.600112.5N46 R96 F97 R98N46-M100 WeakPolarHBondContact OD1-CE 3.21Å; R96-M100 VanDerWaalsContact O-CG 3.32Å; R96-M100 WeakPolarHBondContact O-CG 3.38Å; R96-M100 PolarHBondContact O-N 3.11Å; R96-M100 VanDerWaalsContact O-N 3.14Å; F97-M100 WeakPolarHBondContact O-CB 3.37Å; F97-M100 PolarHBondContact O-N 3.45Å; F97-M100 VanDerWaalsContact O-N 3.07Å; R98-M100 VanDerWaalsContact C-N 3.34Å; R98-M100 PolarHBondContact O-N 3.49Å
101L76.7Confident70.4Confident3 Ų392.4 Ų92.42%0.01646%0.456CS..Hα-helixtrans-92.4-15.4-180-57-174.1000114W50 I61 L62 L65 F97 R98 N99 P103 Y104 E105W50-L101 HydrophobicContact CD2-CD2 3.46Å; W50-L101 VanDerWaalsContact CD2-CD2 3.46Å; W50-L101 HydrophobicContact CE3-CD1 4.14Å; W50-L101 HydrophobicContact CE3-CD2 3.07Å; W50-L101 HydrophobicContact CE3-CG 4.19Å; W50-L101 HydrophobicContact CG-CD2 4.13Å; W50-L101 HydrophobicContact CH2-CD1 3.4Å; W50-L101 VanDerWaalsContact CH2-CD1 3.4Å; W50-L101 HydrophobicContact CH2-CD2 3.93Å; W50-L101 HydrophobicContact CH2-CG 4.22Å; W50-L101 HydrophobicContact CZ2-CD1 3.93Å; W50-L101 HydrophobicContact CZ2-CD2 4.12Å; W50-L101 HydrophobicContact CZ2-CG 4.46Å; W50-L101 HydrophobicContact CZ3-CD1 3.49Å; W50-L101 VanDerWaalsContact CZ3-CD1 3.49Å; W50-L101 HydrophobicContact CZ3-CD2 3.38Å; W50-L101 HydrophobicContact CZ3-CG 4.04Å; I61-L101 HydrophobicContact CG2-CD1 4.27Å; L62-L101 HydrophobicContact CD2-CB 3.86Å; L62-L101 HydrophobicContact CD2-CD1 3.81Å; L65-L101 HydrophobicContact CD1-CD1 3.68Å; F97-L101 HydrophobicContact CD2-CD1 4.38Å; F97-L101 HydrophobicContact CD2-CD2 4.42Å; F97-L101 HydrophobicContact CD2-CG 4.24Å; F97-L101 HydrophobicContact CE1-CD1 4.42Å; F97-L101 HydrophobicContact CE2-CD1 3.8Å; F97-L101 HydrophobicContact CE2-CD2 3.75Å; F97-L101 HydrophobicContact CE2-CG 3.86Å; F97-L101 HydrophobicContact CZ-CD1 3.78Å; F97-L101 HydrophobicContact CZ-CD2 4.4Å; F97-L101 HydrophobicContact CZ-CG 4.36Å; F97-L101 WeakPolarHBondContact O-CG 3.41Å; F97-L101 PolarHBondContact O-N 3.3Å; R98-L101 WeakPolarHBondContact O-CB 3.48Å; R98-L101 PolarHBondContact O-N 2.68Å; N99-L101 PolarHBondContact O-N 3Å; L101-P103 VanDerWaalsContact C-N 3.31Å; L101-Y104 WeakPolarHBondContact O-CA 3.39Å; L101-Y104 WeakPolarHBondContact O-CB 3.46Å; L101-Y104 PolarHBondContact O-N 3.33Å; L101-E105 PolarHBondContact O-N 3.49Å
102E76.5Confident69.7Low128 Ų12896 Ų9660%0.59847%0.473SS*.G310 helixtrans-48.9-43-179.4-171.2-179.3-168.600113.5R98 N99 Y104 E105R98-E102 PolarHBondContact O-N 2.91Å; N99-E102 WeakPolarHBondContact O-CB 3.18Å; N99-E102 PolarHBondContact O-N 3.43Å; E102-Y104 PolarHBondContact O-N 2.92Å; E102-E105 PolarHBondContact O-N 2.76Å
103P71.9Confident68.9Low103 Ų10395.7 Ų95.767%0.66947%0.47SS*.G310 helixtrans-63.9-13178.3-21.935000114.5L101L101-P103 VanDerWaalsContact C-N 3.31Å
104Y68.8Low68.1Low93 Ų9397.2 Ų97.237%0.36548%0.48SS..G310 helixtrans-113.83-173.6-51.9-83.9000113.7W50 E51 L101 E102 L106W50-Y104 HydrophobicContact CB-CD1 4.23Å; W50-Y104 HydrophobicContact CB-CD2 3.99Å; W50-Y104 HydrophobicContact CB-CE1 4.03Å; W50-Y104 HydrophobicContact CB-CE2 3.8Å; W50-Y104 HydrophobicContact CB-CG 4.2Å; W50-Y104 AromaticContact CD1-CD1 3.48Å; W50-Y104 VanDerWaalsContact CD1-CD1 3.48Å; W50-Y104 AromaticContact CD1-CD2 3.61Å; W50-Y104 AromaticContact CD1-CG 3.15Å; W50-Y104 HydrophobicContact CG-CD1 4.21Å; W50-Y104 AromaticContact CG-CD2 3.89Å; W50-Y104 HydrophobicContact CG-CD2 3.89Å; W50-Y104 HydrophobicContact CG-CE1 4.49Å; W50-Y104 HydrophobicContact CG-CE2 4.22Å; W50-Y104 AromaticContact CG-CG 3.87Å; W50-Y104 HydrophobicContact CG-CG 3.87Å; W50-Y104 VanDerWaalsContact NE1-CB 3.25Å; W50-Y104 AromaticContact NE1-CG 3.76Å; E51-Y104 HydrophobicContact CG-CE1 4.4Å; L101-Y104 WeakPolarHBondContact O-CA 3.39Å; L101-Y104 WeakPolarHBondContact O-CB 3.46Å; L101-Y104 PolarHBondContact O-N 3.33Å; E102-Y104 PolarHBondContact O-N 2.92Å; Y104-L106 PolarHBondContact O-N 3.27Å
105E67.5Low67.2Low54 Ų54102.9 Ų102.925%0.25251%0.508SS..SBendtrans-65.8-24.3-175.6-68.6-16193.600113L62 R98 L101 E102L62-E105 HydrophobicContact CD1-CG 4.01Å; L62-E105 HydrophobicContact CD2-CG 4.28Å; R98-E105 IonicContact CZ-OE1 3.18Å; R98-E105 IonicContact CZ-OE2 3.64Å; R98-E105 IonicContact NH1-OE1 2.78Å; R98-E105 PolarHBondContact NH1-OE1 2.67Å; R98-E105 IonicContact NH1-OE2 3.58Å; R98-E105 PolarHBondContact NH1-OE2 2.9Å; R98-E105 IonicContact NH2-OE1 2.75Å; R98-E105 PolarHBondContact NH2-OE1 3.46Å; R98-E105 IonicContact NH2-OE2 3.97Å; L101-E105 PolarHBondContact O-N 3.49Å; E102-E105 PolarHBondContact O-N 2.76Å
106L62.4Low66Low118 Ų118105.6 Ų105.662%0.61852%0.522SS*.  trans-158.3145.2176.4-91.2134.1000110.3Y104 R108Y104-L106 PolarHBondContact O-N 3.27Å; L106-R108 PolarHBondContact O-N 3.07Å
107P53.6Low64.8Low99 Ų99101.1 Ų101.164%0.64351%0.513SS*.  trans-62.112114128.1-25.9000105.5T109P107-T109 PolarHBondContact O-N 3.4Å
108R43.2Very low63.7Low221 Ų221108.2 Ų108.283%0.83455%0.549SS*.  trans-48.1109166.6-74.2-178.2-179.5178-0.3106.4L106 D110L106-R108 PolarHBondContact O-N 3.07Å; R108-D110 PolarHBondContact O-N 3.31Å
109T42.9Very low62.2Low111 Ų111113.8 Ų113.868%0.68158%0.582SS**  trans-64.394.1152.734.90000103.7P107 L111P107-T109 PolarHBondContact O-N 3.4Å; T109-L111 PolarHBondContact O-N 3.32Å
110D44.5Very low60.6Low145 Ų145114.8 Ų114.878%0.77558%0.584SS**  trans-58.291.1154-72.9-22.6000104.8R108R108-D110 PolarHBondContact O-N 3.31Å
111L39.7Very low58.9Low229 Ų229118.5 Ų118.5100%1.19961%0.605SS**  trans-77.90153.6-91.2165.2000107.1T109T109-L111 PolarHBondContact O-N 3.32Å

Retrieved 111 of 111 residues in 100.5 ms (Link to these results)

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