A0A061HXB4_CRIGR Loading...

Pre-rRNA-processing protein TSR2 homolog

May be involved in 20S pre-rRNA processing.

AlphaFold DB , UniProt , Accession A0A061HXB4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Tsr2, Length 192 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M51.3Low73.7Confident242 Ų242101 Ų101100%1.19257%0.572SS**  022.20-97.8167.6176.100113.3
2M55.9Low75.4Confident174 Ų17496.8 Ų96.886%0.85755%0.547SS*.  trans-88.2-4.9-176.3-67.1-84.7-90.600114.6
3A61.1Low76.9Confident63 Ų6389.4 Ų89.452%0.52151%0.505SS..Hα-helixtrans-71.8-41.5179.600000112.3A5 A6 E7A3-A5 PolarHBondContact O-N 3.09Å; A3-A6 PolarHBondContact O-N 3.19Å; A3-E7 WeakPolarHBondContact O-CG 3.3Å; A3-E7 PolarHBondContact O-N 3.33Å; A3-E7 VanDerWaalsContact O-N 3.09Å
4G65.6Low78.2Confident32 Ų3283.2 Ų83.233%0.3347%0.471SS..Hα-helixtrans-58.4-44.8-176.200000113.7A6 E7 D8G4-A6 VanDerWaalsContact C-N 3.31Å; G4-A6 PolarHBondContact O-N 2.86Å; G4-E7 WeakPolarHBondContact O-CB 3.36Å; G4-E7 PolarHBondContact O-N 3.16Å; G4-E7 VanDerWaalsContact O-N 3.16Å; G4-D8 PolarHBondContact O-N 3.15Å
5A70.5Confident79.3Confident66 Ų6680.7 Ų80.755%0.54546%0.464SS..Hα-helixtrans-64.6-32.9-178.900000113.6A3 V9A3-A5 PolarHBondContact O-N 3.09Å; A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.42Å; A5-V9 PolarHBondContact O-N 3Å; A5-V9 VanDerWaalsContact O-N 3.15Å
6A71.3Confident80.3Confident65 Ų6575.6 Ų75.654%0.53744%0.435SS..Hα-helixtrans-75.2-35.917600000111.5A3 G4 V9 R10A3-A6 PolarHBondContact O-N 3.19Å; G4-A6 VanDerWaalsContact C-N 3.31Å; G4-A6 PolarHBondContact O-N 2.86Å; A6-V9 PolarHBondContact O-N 3.33Å; A6-R10 PolarHBondContact O-N 3.49Å
7E75.6Confident81.2Confident127 Ų12771.2 Ų71.259%0.59341%0.41SS*.Hα-helixtrans-64-43.9172.9-67.9173.593.400110.8A3 G4 V9 R10 T11A3-E7 WeakPolarHBondContact O-CG 3.3Å; A3-E7 PolarHBondContact O-N 3.33Å; A3-E7 VanDerWaalsContact O-N 3.09Å; G4-E7 WeakPolarHBondContact O-CB 3.36Å; G4-E7 PolarHBondContact O-N 3.16Å; G4-E7 VanDerWaalsContact O-N 3.16Å; E7-V9 PolarHBondContact O-N 3.05Å; E7-R10 PolarHBondContact O-N 3.47Å; E7-T11 WeakPolarHBondContact O-CG2 3.48Å; E7-T11 PolarHBondContact O-N 3.31Å
8D86.2Confident82Confident101 Ų10174.3 Ų74.354%0.5441%0.414SS..Hα-helixtrans-57.8-49.4174.1-79.4-73.2000111.5G4 R10 T11 L12G4-D8 PolarHBondContact O-N 3.15Å; D8-R10 VanDerWaalsContact C-N 3.33Å; D8-R10 PolarHBondContact O-N 2.94Å; D8-T11 PolarHBondContact O-N 3.12Å; D8-T11 PolarHBondContact O-OG1 2.83Å; D8-L12 WeakPolarHBondContact O-CG 3.23Å; D8-L12 PolarHBondContact O-N 3.21Å
9V89.5Confident82.7Confident22 Ų2270.5 Ų70.513%0.13339%0.393CS..Hα-helixtrans-64.4-36.4-179.3172.20000112.3A5 A6 E7 L12 F13 F101 L109A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.42Å; A5-V9 PolarHBondContact O-N 3Å; A5-V9 VanDerWaalsContact O-N 3.15Å; A6-V9 PolarHBondContact O-N 3.33Å; E7-V9 PolarHBondContact O-N 3.05Å; V9-L12 PolarHBondContact O-N 3.4Å; V9-F13 WeakPolarHBondContact O-CB 3.35Å; V9-F13 PolarHBondContact O-N 3.33Å; V9-F101 HydrophobicContact CG1-CD2 3.64Å; V9-F101 HydrophobicContact CG1-CE2 4.06Å; V9-L109 HydrophobicContact CG1-CD1 4.31Å
10R91.3Very high83.3Confident127 Ų12767 Ų6748%0.47937%0.373SS..Hα-helixtrans-64.9-44.1173.5-175.6-175.3168.4-162.22.6111.9A6 E7 D8 L12 F13 G14 E52 I56 F101A6-R10 PolarHBondContact O-N 3.49Å; E7-R10 PolarHBondContact O-N 3.47Å; D8-R10 VanDerWaalsContact C-N 3.33Å; D8-R10 PolarHBondContact O-N 2.94Å; R10-L12 VanDerWaalsContact C-N 3.28Å; R10-L12 PolarHBondContact O-N 3.41Å; R10-F13 PolarHBondContact O-N 2.95Å; R10-F13 VanDerWaalsContact O-N 3.15Å; R10-G14 PolarHBondContact O-N 3.26Å; R10-E52 IonicContact CZ-OE1 3.33Å; R10-E52 IonicContact NE-OE1 3.72Å; R10-E52 PolarHBondContact NE-OE1 3.39Å; R10-E52 IonicContact NH2-OE1 2.94Å; R10-E52 PolarHBondContact NH2-OE1 2.99Å; R10-I56 HydrophobicContact CG-CD1 4.22Å; R10-F101 HydrophobicContact CB-CE2 4.13Å
11T92.9Very high83.9Confident92 Ų9264 Ų6456%0.56436%0.356SS*.Hα-helixtrans-62.5-38177.462.30000112E7 D8 A15E7-T11 WeakPolarHBondContact O-CG2 3.48Å; E7-T11 PolarHBondContact O-N 3.31Å; D8-T11 PolarHBondContact O-N 3.12Å; D8-T11 PolarHBondContact O-OG1 2.83Å; T11-A15 WeakPolarHBondContact O-CB 3.32Å; T11-A15 PolarHBondContact O-N 3.23Å
12L94.1Very high85.9Confident51 Ų5157 Ų5727%0.26732%0.321SS..Hα-helixtrans-64.2-41173.7-69.2171.4000111.6D8 V9 R10 A15 A16D8-L12 WeakPolarHBondContact O-CG 3.23Å; D8-L12 PolarHBondContact O-N 3.21Å; V9-L12 PolarHBondContact O-N 3.4Å; R10-L12 VanDerWaalsContact C-N 3.28Å; R10-L12 PolarHBondContact O-N 3.41Å; L12-A15 PolarHBondContact O-N 3.19Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.15Å
13F95.1Very high87.7Confident0 Ų050.3 Ų50.30%029%0.293CS..Hα-helixtrans-64.7-47.1177.2-179.9-119.7000112.4V9 R10 A15 A16 I17 E52 F55 M97 F98 F101 L109V9-F13 WeakPolarHBondContact O-CB 3.35Å; V9-F13 PolarHBondContact O-N 3.33Å; R10-F13 PolarHBondContact O-N 2.95Å; R10-F13 VanDerWaalsContact O-N 3.15Å; F13-A15 VanDerWaalsContact C-N 3.29Å; F13-A15 PolarHBondContact O-N 2.93Å; F13-A16 WeakPolarHBondContact O-CB 3.39Å; F13-A16 PolarHBondContact O-N 3.37Å; F13-A16 VanDerWaalsContact O-N 3.09Å; F13-I17 HydrophobicContact CD1-CD1 3.92Å; F13-I17 HydrophobicContact CD2-CD1 4.42Å; F13-I17 HydrophobicContact CD2-CG1 4.46Å; F13-I17 HydrophobicContact CE1-CD1 3.44Å; F13-I17 VanDerWaalsContact CE1-CD1 3.44Å; F13-I17 HydrophobicContact CE1-CG1 4.4Å; F13-I17 HydrophobicContact CE2-CD1 3.98Å; F13-I17 HydrophobicContact CE2-CG1 4.08Å; F13-I17 HydrophobicContact CG-CD1 4.4Å; F13-I17 HydrophobicContact CZ-CD1 3.48Å; F13-I17 VanDerWaalsContact CZ-CD1 3.48Å; F13-I17 HydrophobicContact CZ-CG1 4.07Å; F13-I17 WeakPolarHBondContact O-CG1 3.16Å; F13-I17 PolarHBondContact O-N 2.99Å; F13-E52 HydrophobicContact CD1-CG 4.34Å; F13-F55 HydrophobicContact CE1-CB 3.76Å; F13-F55 HydrophobicContact CE1-CG 4.39Å; F13-F55 HydrophobicContact CZ-CB 3.71Å; F13-F55 HydrophobicContact CZ-CD1 4.38Å; F13-F55 HydrophobicContact CZ-CD2 4.2Å; F13-F55 AromaticContact CZ-CG 3.86Å; F13-F55 HydrophobicContact CZ-CG 3.86Å; F13-M97 HydrophobicContact CD2-CB 4.33Å; F13-M97 HydrophobicContact CE2-CB 4.05Å; F13-F98 HydrophobicContact CE1-CD2 4.19Å; F13-F98 HydrophobicContact CE2-CB 4.04Å; F13-F98 HydrophobicContact CE2-CD2 4.27Å; F13-F98 HydrophobicContact CZ-CB 4.05Å; F13-F98 AromaticContact CZ-CD2 3.67Å; F13-F98 HydrophobicContact CZ-CD2 3.67Å; F13-F98 HydrophobicContact CZ-CG 4.33Å; F13-F101 HydrophobicContact CB-CB 4.27Å; F13-F101 HydrophobicContact CB-CD2 3.57Å; F13-F101 HydrophobicContact CB-CE2 4.22Å; F13-F101 HydrophobicContact CB-CG 4.07Å; F13-F101 HydrophobicContact CD1-CD1 4.34Å; F13-F101 HydrophobicContact CD1-CD2 4.14Å; F13-F101 HydrophobicContact CD1-CE2 4.48Å; F13-F101 HydrophobicContact CD1-CG 4.09Å; F13-F101 HydrophobicContact CD2-CB 3.77Å; F13-F101 HydrophobicContact CD2-CG 4.16Å; F13-F101 HydrophobicContact CE2-CB 4.24Å; F13-F101 HydrophobicContact CG-CB 3.96Å; F13-F101 AromaticContact CG-CD2 3.83Å; F13-F101 HydrophobicContact CG-CD2 3.83Å; F13-F101 AromaticContact CG-CG 3.84Å; F13-F101 HydrophobicContact CG-CG 3.84Å; F13-L109 HydrophobicContact CB-CD1 4.21Å; F13-L109 HydrophobicContact CD2-CD2 4.07Å
14G94.6Very high89.3Confident3 Ų347.3 Ų47.33%0.03127%0.268CS..Hα-helixtrans-60.5-38.4175.100000112.6R10 R18R10-G14 PolarHBondContact O-N 3.26Å; G14-R18 WeakPolarHBondContact O-CG 3.37Å; G14-R18 PolarHBondContact O-N 3.02Å; G14-R18 VanDerWaalsContact O-N 3.15Å
15A94.4Very high90.6Very high45 Ų4549.3 Ų49.337%0.37228%0.275SS..Hα-helixtrans-65.6-38.1173.400000112.7T11 L12 F13 A19T11-A15 WeakPolarHBondContact O-CB 3.32Å; T11-A15 PolarHBondContact O-N 3.23Å; L12-A15 PolarHBondContact O-N 3.19Å; F13-A15 VanDerWaalsContact C-N 3.29Å; F13-A15 PolarHBondContact O-N 2.93Å; A15-A19 WeakPolarHBondContact O-CB 3.48Å; A15-A19 PolarHBondContact O-N 3.25Å
16A95.2Very high91.7Very high0 Ų046.8 Ų46.80%025%0.254CS..Hα-helixtrans-65.4-44.4177.300000112L12 F13 A19 A20 M97 L109 T113L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.15Å; F13-A16 WeakPolarHBondContact O-CB 3.39Å; F13-A16 PolarHBondContact O-N 3.37Å; F13-A16 VanDerWaalsContact O-N 3.09Å; A16-A19 PolarHBondContact O-N 2.97Å; A16-A20 PolarHBondContact O-N 2.94Å; A16-M97 HydrophobicContact CB-CE 4.13Å; A16-M97 HydrophobicContact CB-CG 4.33Å; A16-M97 HydrophobicContact CB-SD 3.63Å; A16-L109 HydrophobicContact CB-CD2 4.06Å; A16-T113 WeakPolarHBondContact CA-OG1 3.46Å; A16-T113 WeakPolarHBondContact CB-OG1 3.21Å
17I95.9Very high92.8Very high0 Ų043.8 Ų43.80%023%0.229CC..Hα-helixtrans-57.9-50.8175.2-69.9170.7000110.5F13 A19 A20 L21 V51 E52 F55 L94F13-I17 HydrophobicContact CD1-CD1 3.92Å; F13-I17 HydrophobicContact CD2-CD1 4.42Å; F13-I17 HydrophobicContact CD2-CG1 4.46Å; F13-I17 HydrophobicContact CE1-CD1 3.44Å; F13-I17 VanDerWaalsContact CE1-CD1 3.44Å; F13-I17 HydrophobicContact CE1-CG1 4.4Å; F13-I17 HydrophobicContact CE2-CD1 3.98Å; F13-I17 HydrophobicContact CE2-CG1 4.08Å; F13-I17 HydrophobicContact CG-CD1 4.4Å; F13-I17 HydrophobicContact CZ-CD1 3.48Å; F13-I17 VanDerWaalsContact CZ-CD1 3.48Å; F13-I17 HydrophobicContact CZ-CG1 4.07Å; F13-I17 WeakPolarHBondContact O-CG1 3.16Å; F13-I17 PolarHBondContact O-N 2.99Å; I17-A19 VanDerWaalsContact C-N 3.31Å; I17-A19 PolarHBondContact O-N 3.35Å; I17-A20 PolarHBondContact O-N 2.71Å; I17-L21 HydrophobicContact CG2-CD1 3.82Å; I17-L21 HydrophobicContact CG2-CG 4.32Å; I17-L21 WeakPolarHBondContact O-CG 3.26Å; I17-L21 PolarHBondContact O-N 3.1Å; I17-V51 HydrophobicContact CD1-CG1 4.35Å; I17-V51 HydrophobicContact CG2-CB 3.93Å; I17-V51 HydrophobicContact CG2-CG1 3.69Å; I17-E52 HydrophobicContact CD1-CB 3.83Å; I17-E52 HydrophobicContact CD1-CG 4.19Å; I17-F55 HydrophobicContact CD1-CD2 4.27Å; I17-L94 HydrophobicContact CB-CD2 4.28Å; I17-L94 HydrophobicContact CG1-CD2 4Å; I17-L94 HydrophobicContact CG2-CD2 4.22Å
18R95.1Very high93.7Very high128 Ų12841.2 Ų41.248%0.48322%0.217SC..Hα-helixtrans-58-46.1178.7-71.5174.4-170.4155.96.7111.1G14 A20 L21 E22G14-R18 WeakPolarHBondContact O-CG 3.37Å; G14-R18 PolarHBondContact O-N 3.02Å; G14-R18 VanDerWaalsContact O-N 3.15Å; R18-A20 VanDerWaalsContact C-N 3.32Å; R18-A20 PolarHBondContact O-N 2.8Å; R18-L21 PolarHBondContact O-N 3.22Å; R18-E22 WeakPolarHBondContact O-CB 3.06Å; R18-E22 VanDerWaalsContact O-CG 3.24Å; R18-E22 WeakPolarHBondContact O-CG 3.38Å; R18-E22 PolarHBondContact O-N 3.37Å
19A94.9Very high94.1Very high2 Ų240.5 Ų40.52%0.01721%0.212CC..Hα-helixtrans-59.2-41.9177.800000112.7A15 A16 I17 A23 T113 I116A15-A19 WeakPolarHBondContact O-CB 3.48Å; A15-A19 PolarHBondContact O-N 3.25Å; A16-A19 PolarHBondContact O-N 2.97Å; I17-A19 VanDerWaalsContact C-N 3.31Å; I17-A19 PolarHBondContact O-N 3.35Å; A19-A23 WeakPolarHBondContact O-CB 3.48Å; A19-A23 PolarHBondContact O-N 2.97Å; A19-T113 HydrophobicContact CB-CG2 3.84Å; A19-I116 HydrophobicContact CB-CG2 4.33Å; A19-I116 WeakPolarHBondContact O-CG2 3.48Å
20A95.6Very high94.3Very high0 Ų039.4 Ų39.40%021%0.206CC..Hα-helixtrans-64.8-47.7176.800000112.2A16 I17 R18 A23 W24 L94 M97 I116A16-A20 PolarHBondContact O-N 2.94Å; I17-A20 PolarHBondContact O-N 2.71Å; R18-A20 VanDerWaalsContact C-N 3.32Å; R18-A20 PolarHBondContact O-N 2.8Å; A20-A23 WeakPolarHBondContact O-CB 3.42Å; A20-A23 PolarHBondContact O-N 3.16Å; A20-A23 VanDerWaalsContact O-N 3.14Å; A20-W24 PolarHBondContact O-N 2.93Å; A20-L94 HydrophobicContact CB-CD2 3.91Å; A20-M97 HydrophobicContact CB-CE 4.07Å; A20-M97 HydrophobicContact CB-SD 4.4Å; A20-I116 HydrophobicContact CB-CD1 4.33Å
21L95.2Very high94.4Very high4 Ų434.6 Ų34.62%0.02119%0.19CC..Hα-helixtrans-63.6-44.4178.5-68.2173.9000111.7I17 R18 A23 W24 L27 L47 V51 L70I17-L21 HydrophobicContact CG2-CD1 3.82Å; I17-L21 HydrophobicContact CG2-CG 4.32Å; I17-L21 WeakPolarHBondContact O-CG 3.26Å; I17-L21 PolarHBondContact O-N 3.1Å; R18-L21 PolarHBondContact O-N 3.22Å; L21-A23 PolarHBondContact O-N 3.4Å; L21-W24 HydrophobicContact CD2-CE3 4.25Å; L21-W24 WeakPolarHBondContact O-CB 3.43Å; L21-W24 PolarHBondContact O-N 3.48Å; L21-L27 HydrophobicContact CB-CD2 3.96Å; L21-L27 WeakPolarHBondContact O-CD2 3.41Å; L21-L47 HydrophobicContact CD1-CD2 4.23Å; L21-L47 HydrophobicContact CD1-CG 4.03Å; L21-L47 HydrophobicContact CD2-CD2 4.16Å; L21-V51 HydrophobicContact CD1-CB 4.49Å; L21-V51 HydrophobicContact CD1-CG2 4.21Å; L21-L70 HydrophobicContact CD2-CD1 4.08Å
22E93.4Very high94.4Very high95 Ų9537.5 Ų37.544%0.44420%0.198SC..Hα-helixtrans-68-22.1176.4-67.5172.857.600112.9R18 W24 Q28 K120R18-E22 WeakPolarHBondContact O-CB 3.06Å; R18-E22 VanDerWaalsContact O-CG 3.24Å; R18-E22 WeakPolarHBondContact O-CG 3.38Å; R18-E22 PolarHBondContact O-N 3.37Å; E22-W24 VanDerWaalsContact C-N 3.28Å; E22-Q28 VanDerWaalsContact O-CD 3.3Å; E22-Q28 WeakPolarHBondContact O-CG 3.28Å; E22-Q28 PolarHBondContact O-NE2 2.89Å; E22-K120 VanDerWaalsContact O-CE 3.31Å; E22-K120 WeakPolarHBondContact O-CE 3.43Å; E22-K120 IonicContact OE1-NZ 3.01Å; E22-K120 PolarHBondContact OE1-NZ 3.31Å
23A93.6Very high94.4Very high33 Ų3340 Ų4027%0.27321%0.212SC..Hα-helixtrans-79.6-13.8172.600000112.7A19 A20 L21 P25 I116 K120A19-A23 WeakPolarHBondContact O-CB 3.48Å; A19-A23 PolarHBondContact O-N 2.97Å; A20-A23 WeakPolarHBondContact O-CB 3.42Å; A20-A23 PolarHBondContact O-N 3.16Å; A20-A23 VanDerWaalsContact O-N 3.14Å; L21-A23 PolarHBondContact O-N 3.4Å; A23-P25 VanDerWaalsContact O-CD 3.24Å; A23-P25 WeakPolarHBondContact O-CD 3.38Å; A23-I116 HydrophobicContact CB-CG2 3.48Å; A23-I116 VanDerWaalsContact CB-CG2 3.48Å; A23-K120 HydrophobicContact CB-CD 3.72Å; A23-K120 HydrophobicContact CB-CG 3.74Å
24W95.3Very high94.3Very high1 Ų141.7 Ų41.70%0.00423%0.229CC..  trans-78.5113-171.9-172.220000111.1A20 L21 E22 A26 L27 Q28 L70 M74 V82 S86 L87 V90A20-W24 PolarHBondContact O-N 2.93Å; L21-W24 HydrophobicContact CD2-CE3 4.25Å; L21-W24 WeakPolarHBondContact O-CB 3.43Å; L21-W24 PolarHBondContact O-N 3.48Å; E22-W24 VanDerWaalsContact C-N 3.28Å; W24-A26 VanDerWaalsContact C-N 3.32Å; W24-A26 HydrophobicContact CD2-CB 4.5Å; W24-A26 HydrophobicContact CZ2-CB 4.29Å; W24-A26 PolarHBondContact O-N 3.44Å; W24-L27 HydrophobicContact CB-CB 4.3Å; W24-L27 HydrophobicContact CD2-CB 4.3Å; W24-L27 HydrophobicContact CE3-CB 3.91Å; W24-L27 HydrophobicContact CG-CB 4.49Å; W24-L27 PolarHBondContact O-N 3.29Å; W24-Q28 WeakPolarHBondContact O-CG 3.43Å; W24-Q28 PolarHBondContact O-N 3.17Å; W24-Q28 VanDerWaalsContact O-N 3.12Å; W24-L70 HydrophobicContact CE3-CD1 4.5Å; W24-L70 HydrophobicContact CE3-CD2 4.19Å; W24-L70 HydrophobicContact CH2-CD1 4.14Å; W24-L70 HydrophobicContact CH2-CD2 3.57Å; W24-L70 HydrophobicContact CH2-CG 3.51Å; W24-L70 HydrophobicContact CZ2-CD2 4.28Å; W24-L70 HydrophobicContact CZ3-CD1 3.59Å; W24-L70 HydrophobicContact CZ3-CD2 3.53Å; W24-L70 HydrophobicContact CZ3-CG 3.49Å; W24-L70 VanDerWaalsContact CZ3-CG 3.49Å; W24-M74 HydrophobicContact CE3-SD 4.5Å; W24-M74 HydrophobicContact CH2-CG 3.39Å; W24-M74 HydrophobicContact CH2-SD 3.93Å; W24-M74 HydrophobicContact CZ2-CG 4.36Å; W24-M74 HydrophobicContact CZ3-CG 3.72Å; W24-M74 HydrophobicContact CZ3-SD 3.73Å; W24-V82 HydrophobicContact CH2-CG2 4.36Å; W24-V82 HydrophobicContact CZ2-CB 4.44Å; W24-V82 HydrophobicContact CZ2-CG1 4.05Å; W24-V82 HydrophobicContact CZ2-CG2 4.05Å; W24-S86 VanDerWaalsContact NE1-CB 3.35Å; W24-S86 PolarHBondContact NE1-OG 3.46Å; W24-L87 HydrophobicContact CH2-CD1 3.4Å; W24-L87 HydrophobicContact CZ2-CB 4.08Å; W24-L87 HydrophobicContact CZ2-CD1 3.49Å; W24-L87 VanDerWaalsContact CZ2-CD1 3.49Å; W24-L87 HydrophobicContact CZ2-CG 4.41Å; W24-V90 HydrophobicContact CB-CG2 3.97Å; W24-V90 HydrophobicContact CD2-CB 4.44Å; W24-V90 HydrophobicContact CD2-CG1 4.39Å; W24-V90 HydrophobicContact CD2-CG2 4.08Å; W24-V90 HydrophobicContact CE3-CG1 4.49Å; W24-V90 HydrophobicContact CG-CB 4.46Å; W24-V90 HydrophobicContact CG-CG2 3.61Å
25P92.7Very high94.2Very high74 Ų7445.7 Ų45.748%0.48125%0.245SC..Hα-helixtrans-62-37.1-172.5-26.337.3000113.7A23 L27 Q28 I29A23-P25 VanDerWaalsContact O-CD 3.24Å; A23-P25 WeakPolarHBondContact O-CD 3.38Å; P25-L27 VanDerWaalsContact C-N 3.31Å; P25-L27 PolarHBondContact O-N 3.03Å; P25-Q28 PolarHBondContact O-N 2.91Å; P25-I29 WeakPolarHBondContact O-CB 3.38Å; P25-I29 WeakPolarHBondContact O-CD1 3.26Å; P25-I29 WeakPolarHBondContact O-CG1 3.41Å; P25-I29 PolarHBondContact O-N 3.46Å
26A94Very high93.8Very high12 Ų1244.9 Ų44.910%0.09924%0.241CC..Hα-helixtrans-60.4-41.8179.100000111.8W24 A30 M74 V82W24-A26 VanDerWaalsContact C-N 3.32Å; W24-A26 HydrophobicContact CD2-CB 4.5Å; W24-A26 HydrophobicContact CZ2-CB 4.29Å; W24-A26 PolarHBondContact O-N 3.44Å; A26-A30 WeakPolarHBondContact O-CB 3.46Å; A26-A30 PolarHBondContact O-N 2.99Å; A26-M74 HydrophobicContact CB-CE 4.22Å; A26-V82 HydrophobicContact CB-CG1 3.9Å; A26-V82 HydrophobicContact CB-CG2 3.92Å
27L94.2Very high93.7Very high3 Ų346.9 Ų46.92%0.01626%0.262CS..Hα-helixtrans-68.3-43176.1-177.463.6000111.8L21 W24 P25 I29 A30 V31 L47 M74 F78L21-L27 HydrophobicContact CB-CD2 3.96Å; L21-L27 WeakPolarHBondContact O-CD2 3.41Å; W24-L27 HydrophobicContact CB-CB 4.3Å; W24-L27 HydrophobicContact CD2-CB 4.3Å; W24-L27 HydrophobicContact CE3-CB 3.91Å; W24-L27 HydrophobicContact CG-CB 4.49Å; W24-L27 PolarHBondContact O-N 3.29Å; P25-L27 VanDerWaalsContact C-N 3.31Å; P25-L27 PolarHBondContact O-N 3.03Å; L27-I29 PolarHBondContact O-N 3.35Å; L27-A30 PolarHBondContact O-N 2.97Å; L27-V31 HydrophobicContact CD1-CG2 4.37Å; L27-V31 HydrophobicContact CG-CG2 4.5Å; L27-V31 VanDerWaalsContact O-CG2 3.27Å; L27-V31 WeakPolarHBondContact O-CG2 3.41Å; L27-V31 PolarHBondContact O-N 3.12Å; L27-L47 HydrophobicContact CD1-CD2 3.93Å; L27-L47 HydrophobicContact CD2-CD2 3.73Å; L27-M74 HydrophobicContact CB-SD 4.49Å; L27-M74 HydrophobicContact CD1-SD 4Å; L27-F78 HydrophobicContact CD1-CD1 4.09Å; L27-F78 HydrophobicContact CD1-CD2 4.31Å; L27-F78 HydrophobicContact CD1-CE1 3.62Å; L27-F78 HydrophobicContact CD1-CE2 3.87Å; L27-F78 HydrophobicContact CD1-CG 4.42Å; L27-F78 HydrophobicContact CD1-CZ 3.52Å
28Q94.5Very high93.3Very high72 Ų7253.4 Ų53.434%0.33630%0.301SS..Hα-helixtrans-60.4-46.6177.6-63.3-54-72.200111.2E22 W24 P25 A30 V31 E32E22-Q28 VanDerWaalsContact O-CD 3.3Å; E22-Q28 WeakPolarHBondContact O-CG 3.28Å; E22-Q28 PolarHBondContact O-NE2 2.89Å; W24-Q28 WeakPolarHBondContact O-CG 3.43Å; W24-Q28 PolarHBondContact O-N 3.17Å; W24-Q28 VanDerWaalsContact O-N 3.12Å; P25-Q28 PolarHBondContact O-N 2.91Å; Q28-A30 VanDerWaalsContact C-N 3.32Å; Q28-A30 PolarHBondContact O-N 3.3Å; Q28-V31 PolarHBondContact O-N 2.92Å; Q28-E32 WeakPolarHBondContact O-CB 3.4Å; Q28-E32 VanDerWaalsContact O-CG 3.29Å; Q28-E32 WeakPolarHBondContact O-CG 3.3Å; Q28-E32 PolarHBondContact O-N 3.4Å
29I93.7Very high93.2Very high86 Ų8652.4 Ų52.444%0.44130%0.302SS..Hα-helixtrans-60.2-43.9176.5-67.6164.6000110.6P25 L27 V31 E32 N33P25-I29 WeakPolarHBondContact O-CB 3.38Å; P25-I29 WeakPolarHBondContact O-CD1 3.26Å; P25-I29 WeakPolarHBondContact O-CG1 3.41Å; P25-I29 PolarHBondContact O-N 3.46Å; L27-I29 PolarHBondContact O-N 3.35Å; I29-V31 VanDerWaalsContact C-N 3.33Å; I29-V31 PolarHBondContact O-N 3.15Å; I29-E32 PolarHBondContact O-N 3.15Å; I29-N33 WeakPolarHBondContact O-CB 3.39Å; I29-N33 PolarHBondContact O-N 3.09Å; I29-N33 PolarHBondContact O-ND2 2.91Å
30A93.9Very high93.1Very high0 Ų052.5 Ų52.50%030%0.302CS..Hα-helixtrans-60.8-42.417800000112.2A26 L27 Q28 G34 F35 M74 F78A26-A30 WeakPolarHBondContact O-CB 3.46Å; A26-A30 PolarHBondContact O-N 2.99Å; L27-A30 PolarHBondContact O-N 2.97Å; Q28-A30 VanDerWaalsContact C-N 3.32Å; Q28-A30 PolarHBondContact O-N 3.3Å; A30-G34 PolarHBondContact O-N 3.39Å; A30-G34 VanDerWaalsContact O-N 3.13Å; A30-F35 HydrophobicContact CB-CB 4.22Å; A30-F35 HydrophobicContact CB-CD2 3.98Å; A30-F35 PolarHBondContact O-N 3.47Å; A30-M74 HydrophobicContact CB-CE 4.29Å; A30-F78 HydrophobicContact CB-CB 4.14Å; A30-F78 HydrophobicContact CB-CD1 4.03Å; A30-F78 HydrophobicContact CB-CG 4.4Å
31V94.1Very high93Very high25 Ų2558.1 Ų58.115%0.15233%0.328CS..Hα-helixtrans-66.3-48.6176.3175.80000111.9L27 Q28 I29 N33 G34 T40 A44 F78L27-V31 HydrophobicContact CD1-CG2 4.37Å; L27-V31 HydrophobicContact CG-CG2 4.5Å; L27-V31 VanDerWaalsContact O-CG2 3.27Å; L27-V31 WeakPolarHBondContact O-CG2 3.41Å; L27-V31 PolarHBondContact O-N 3.12Å; Q28-V31 PolarHBondContact O-N 2.92Å; I29-V31 VanDerWaalsContact C-N 3.33Å; I29-V31 PolarHBondContact O-N 3.15Å; V31-N33 VanDerWaalsContact C-N 3.28Å; V31-N33 PolarHBondContact O-N 3.37Å; V31-G34 PolarHBondContact O-N 2.95Å; V31-G34 VanDerWaalsContact O-N 3.13Å; V31-T40 HydrophobicContact CB-CG2 4.27Å; V31-T40 HydrophobicContact CG2-CG2 3.97Å; V31-A44 HydrophobicContact CG2-CB 3.65Å; V31-F78 HydrophobicContact CG2-CE1 4.1Å
32E93.7Very high92.9Very high154 Ų15463.3 Ų63.372%0.7235%0.353SS*.Hα-helixtrans-62.3-34.8-178.9-72.9178.793.700112.7Q28 I29Q28-E32 WeakPolarHBondContact O-CB 3.4Å; Q28-E32 VanDerWaalsContact O-CG 3.29Å; Q28-E32 WeakPolarHBondContact O-CG 3.3Å; Q28-E32 PolarHBondContact O-N 3.4Å; I29-E32 PolarHBondContact O-N 3.15Å
33N94Very high93Very high104 Ų10461.1 Ų61.156%0.55634%0.342SS*.THydrogen-bonded Turntrans-90.3-2.5178.7-68.9-87.1000113.4I29 V31 F35I29-N33 WeakPolarHBondContact O-CB 3.39Å; I29-N33 PolarHBondContact O-N 3.09Å; I29-N33 PolarHBondContact O-ND2 2.91Å; V31-N33 VanDerWaalsContact C-N 3.28Å; V31-N33 PolarHBondContact O-N 3.37Å; N33-F35 VanDerWaalsContact C-N 3.32Å; N33-F35 HydrophobicContact CB-CD1 3.94Å; N33-F35 HydrophobicContact CB-CE1 3.67Å; N33-F35 HydrophobicContact CB-CE2 4.3Å; N33-F35 HydrophobicContact CB-CG 4.37Å; N33-F35 HydrophobicContact CB-CZ 3.87Å; N33-F35 PolarHBondContact O-N 3.29Å
34G92Very high93Very high35 Ų3560.6 Ų60.636%0.36134%0.338SS..THydrogen-bonded Turntrans6730.1-179.300000113.9A30 V31 G37A30-G34 PolarHBondContact O-N 3.39Å; A30-G34 VanDerWaalsContact O-N 3.13Å; V31-G34 PolarHBondContact O-N 2.95Å; V31-G34 VanDerWaalsContact O-N 3.13Å; G34-G37 PolarHBondContact O-N 3.41Å
35F91.8Very high92.8Very high87 Ų8766.9 Ų66.938%0.38237%0.367SS..THydrogen-bonded Turntrans-66.1138.4173.5-57.5-26.8000109.8A30 N33 T40 F78 T80A30-F35 HydrophobicContact CB-CB 4.22Å; A30-F35 HydrophobicContact CB-CD2 3.98Å; A30-F35 PolarHBondContact O-N 3.47Å; N33-F35 VanDerWaalsContact C-N 3.32Å; N33-F35 HydrophobicContact CB-CD1 3.94Å; N33-F35 HydrophobicContact CB-CE1 3.67Å; N33-F35 HydrophobicContact CB-CE2 4.3Å; N33-F35 HydrophobicContact CB-CG 4.37Å; N33-F35 HydrophobicContact CB-CZ 3.87Å; N33-F35 PolarHBondContact O-N 3.29Å; F35-T40 WeakPolarHBondContact O-CB 3.38Å; F35-T40 WeakPolarHBondContact O-CG2 3.49Å; F35-T40 PolarHBondContact O-OG1 2.8Å; F35-F78 CarbonylContact C-O 3.47Å; F35-F78 WeakPolarHBondContact CB-O 2.95Å; F35-T80 VanDerWaalsContact CD2-OG1 3.29Å; F35-T80 WeakPolarHBondContact CD2-OG1 3.43Å
36G87.7Confident93Very high27 Ų2769.6 Ų69.628%0.27837%0.368SS..THydrogen-bonded Turntrans83.64.8-172.500000116K43 E77 F78G36-K43 PolarHBondContact O-NZ 3.41Å; G36-E77 VanDerWaalsContact CA-O 3.28Å; G36-E77 WeakPolarHBondContact CA-O 3.31Å; G36-F78 PolarHBondContact N-O 2.98Å
37G91.4Very high93Very high42 Ų4269 Ų6943%0.43336%0.363SS..SBendtrans107.1-166.5166.500000115.2G34 H39 T40G34-G37 PolarHBondContact O-N 3.41Å; G37-H39 PolarHBondContact O-N 2.98Å; G37-H39 VanDerWaalsContact O-N 3.16Å; G37-T40 PolarHBondContact O-N 2.93Å; G37-T40 PolarHBondContact O-OG1 3.33Å
38V89.6Confident93Very high137 Ų13769 Ų6983%0.8336%0.363SS*.THydrogen-bonded Turntrans-70.7-11.8-174.4-59.40000114.4
39H91.8Very high93Very high107 Ų10767 Ų6750%0.49536%0.362SS..THydrogen-bonded Turntrans-106.819.4-176.4-60.9-65.5000112.8G37 Q41 E42 K43G37-H39 PolarHBondContact O-N 2.98Å; G37-H39 VanDerWaalsContact O-N 3.16Å; H39-Q41 PolarHBondContact O-N 3.47Å; H39-E42 IonicContact CE1-OE2 2.72Å; H39-E42 IonicContact CG-OE2 3.81Å; H39-E42 IonicContact ND1-OE2 3.56Å; H39-E42 PolarHBondContact ND1-OE2 2.96Å; H39-E42 PolarHBondContact O-N 3.31Å; H39-E42 VanDerWaalsContact O-N 3.11Å; H39-K43 PolarHBondContact O-N 2.9Å
40T93.4Very high93.1Very high4 Ų463.9 Ų63.93%0.02535%0.349CS..Hα-helixtrans-58.5-34.3-175.5-52.70000113.4V31 F35 G37 K43 A44 F78V31-T40 HydrophobicContact CB-CG2 4.27Å; V31-T40 HydrophobicContact CG2-CG2 3.97Å; F35-T40 WeakPolarHBondContact O-CB 3.38Å; F35-T40 WeakPolarHBondContact O-CG2 3.49Å; F35-T40 PolarHBondContact O-OG1 2.8Å; G37-T40 PolarHBondContact O-N 2.93Å; G37-T40 PolarHBondContact O-OG1 3.33Å; T40-K43 PolarHBondContact O-N 2.72Å; T40-A44 PolarHBondContact O-N 3.32Å; T40-F78 HydrophobicContact CG2-CD1 3.48Å; T40-F78 VanDerWaalsContact CG2-CD1 3.48Å; T40-F78 HydrophobicContact CG2-CE1 3.51Å
41Q92.4Very high93.2Very high118 Ų11864 Ų6455%0.55135%0.349SS*.Hα-helixtrans-62.3-48.8175-172.469.217.300111.8H39 K43 A44 E45H39-Q41 PolarHBondContact O-N 3.47Å; Q41-K43 VanDerWaalsContact C-N 3.29Å; Q41-K43 PolarHBondContact O-N 3Å; Q41-A44 WeakPolarHBondContact O-CB 3.48Å; Q41-A44 PolarHBondContact O-N 2.92Å; Q41-A44 VanDerWaalsContact O-N 3.15Å; Q41-E45 PolarHBondContact O-N 2.84Å; Q41-E45 VanDerWaalsContact O-N 3.1Å
42E94.6Very high93.3Very high113 Ų11363.8 Ų63.853%0.52835%0.347SS..Hα-helixtrans-64.1-37179.3-65.5171.385.600111H39 E45 W46H39-E42 IonicContact CE1-OE2 2.72Å; H39-E42 IonicContact CG-OE2 3.81Å; H39-E42 IonicContact ND1-OE2 3.56Å; H39-E42 PolarHBondContact ND1-OE2 2.96Å; H39-E42 PolarHBondContact O-N 3.31Å; H39-E42 VanDerWaalsContact O-N 3.11Å; E42-E45 PolarHBondContact O-N 3.27Å; E42-W46 WeakPolarHBondContact O-CB 3.24Å; E42-W46 PolarHBondContact O-N 3.37Å
43K94.4Very high93.3Very high49 Ų4961.5 Ų61.521%0.21334%0.34CS..Hα-helixtrans-62.8-40.9173.3-73.3177.3164.3-174.60112.2G36 H39 T40 Q41 W46 L47 E77 F78G36-K43 PolarHBondContact O-NZ 3.41Å; H39-K43 PolarHBondContact O-N 2.9Å; T40-K43 PolarHBondContact O-N 2.72Å; Q41-K43 VanDerWaalsContact C-N 3.29Å; Q41-K43 PolarHBondContact O-N 3Å; K43-W46 PolarHBondContact O-N 3.22Å; K43-L47 WeakPolarHBondContact O-CB 3.45Å; K43-L47 PolarHBondContact O-N 3.42Å; K43-E77 HydrophobicContact CD-CB 4.36Å; K43-E77 WeakPolarHBondContact CD-O 3.32Å; K43-E77 VanDerWaalsContact CE-OE2 3.26Å; K43-E77 WeakPolarHBondContact CE-OE2 3.49Å; K43-E77 PolarHBondContact NZ-O 3.15Å; K43-E77 IonicContact NZ-OE2 3.57Å; K43-F78 HydrophobicContact CB-CE1 4.23Å; K43-F78 HydrophobicContact CB-CZ 3.91Å
44A93.3Very high93.4Very high23 Ų2358.9 Ų58.919%0.1932%0.323CS..Hα-helixtrans-65.5-38176.800000112.3V31 T40 Q41 L47 F78V31-A44 HydrophobicContact CG2-CB 3.65Å; T40-A44 PolarHBondContact O-N 3.32Å; Q41-A44 WeakPolarHBondContact O-CB 3.48Å; Q41-A44 PolarHBondContact O-N 2.92Å; Q41-A44 VanDerWaalsContact O-N 3.15Å; A44-L47 WeakPolarHBondContact O-CB 3.35Å; A44-L47 PolarHBondContact O-N 3.47Å; A44-F78 HydrophobicContact CB-CE1 4.34Å; A44-F78 HydrophobicContact CB-CZ 4.26Å
45E92.8Very high93.5Very high133 Ų13357.3 Ų57.362%0.62131%0.306SS*.Hα-helixtrans-66.1-42.2173.3-66.7179.8112.900111.8Q41 E42Q41-E45 PolarHBondContact O-N 2.84Å; Q41-E45 VanDerWaalsContact O-N 3.1Å; E42-E45 PolarHBondContact O-N 3.27Å
46W95Very high93.4Very high131 Ų13156.4 Ų56.450%0.49630%0.304SS..Hα-helixtrans-62.6-40.2175.5169.382.9000112.4E42 K43 G48 G49 A50 L73 E77E42-W46 WeakPolarHBondContact O-CB 3.24Å; E42-W46 PolarHBondContact O-N 3.37Å; K43-W46 PolarHBondContact O-N 3.22Å; W46-G48 VanDerWaalsContact C-N 3.26Å; W46-G48 PolarHBondContact O-N 3.23Å; W46-G49 PolarHBondContact O-N 2.97Å; W46-A50 HydrophobicContact CD2-CB 4.24Å; W46-A50 HydrophobicContact CE3-CB 4.36Å; W46-A50 HydrophobicContact CH2-CB 3.87Å; W46-A50 HydrophobicContact CZ2-CB 3.72Å; W46-A50 HydrophobicContact CZ3-CB 4.17Å; W46-A50 PolarHBondContact O-N 3.31Å; W46-L73 HydrophobicContact CH2-CD2 3.88Å; W46-L73 HydrophobicContact CZ3-CD2 3.95Å; W46-E77 HydrophobicContact CZ3-CG 3.94Å
47L95.4Very high93.6Very high0 Ų058.5 Ų58.50%032%0.319CS..Hα-helixtrans-54.3-41.9-177.4-175.767.3000111.9L21 L27 K43 A44 G49 A50 V51 L73 F78L21-L47 HydrophobicContact CD1-CD2 4.23Å; L21-L47 HydrophobicContact CD1-CG 4.03Å; L21-L47 HydrophobicContact CD2-CD2 4.16Å; L27-L47 HydrophobicContact CD1-CD2 3.93Å; L27-L47 HydrophobicContact CD2-CD2 3.73Å; K43-L47 WeakPolarHBondContact O-CB 3.45Å; K43-L47 PolarHBondContact O-N 3.42Å; A44-L47 WeakPolarHBondContact O-CB 3.35Å; A44-L47 PolarHBondContact O-N 3.47Å; L47-G49 VanDerWaalsContact C-N 3.3Å; L47-G49 PolarHBondContact O-N 3.42Å; L47-A50 PolarHBondContact O-N 3.01Å; L47-V51 HydrophobicContact CD1-CG2 4.21Å; L47-V51 HydrophobicContact CG-CG2 4.3Å; L47-V51 WeakPolarHBondContact O-CB 3.18Å; L47-V51 VanDerWaalsContact O-CG2 3.26Å; L47-V51 WeakPolarHBondContact O-CG2 3.36Å; L47-V51 PolarHBondContact O-N 3.19Å; L47-L73 HydrophobicContact CD1-CB 4.01Å; L47-L73 HydrophobicContact CD1-CD1 3.64Å; L47-L73 HydrophobicContact CD1-CD2 4.39Å; L47-L73 HydrophobicContact CD1-CG 4.24Å; L47-F78 HydrophobicContact CD2-CE2 4.14Å; L47-F78 HydrophobicContact CD2-CZ 4.45Å
48G94.6Very high93.6Very high2 Ų259.5 Ų59.52%0.02131%0.314CS..Hα-helixtrans-60.7-37.8177.800000113.4W46 E52W46-G48 VanDerWaalsContact C-N 3.26Å; W46-G48 PolarHBondContact O-N 3.23Å; G48-E52 WeakPolarHBondContact O-CB 3.35Å; G48-E52 PolarHBondContact O-N 3.21Å; G48-E52 VanDerWaalsContact O-N 3.17Å
49G94.4Very high93.3Very high30 Ų3058.3 Ų58.331%0.30931%0.307SS..Hα-helixtrans-74.1-39.3175.100000112.9W46 L47 E52 D53W46-G49 PolarHBondContact O-N 2.97Å; L47-G49 VanDerWaalsContact C-N 3.3Å; L47-G49 PolarHBondContact O-N 3.42Å; G49-E52 PolarHBondContact O-N 3.22Å; G49-D53 WeakPolarHBondContact O-CB 3.42Å; G49-D53 PolarHBondContact O-N 2.93Å
50A95.5Very high92.9Very high20 Ų2059.7 Ų59.717%0.16532%0.318CS..Hα-helixtrans-62.9-43177.200000111.9W46 L47 D53 Y54W46-A50 HydrophobicContact CD2-CB 4.24Å; W46-A50 HydrophobicContact CE3-CB 4.36Å; W46-A50 HydrophobicContact CH2-CB 3.87Å; W46-A50 HydrophobicContact CZ2-CB 3.72Å; W46-A50 HydrophobicContact CZ3-CB 4.17Å; W46-A50 PolarHBondContact O-N 3.31Å; L47-A50 PolarHBondContact O-N 3.01Å; A50-D53 PolarHBondContact O-N 3.28Å; A50-Y54 WeakPolarHBondContact O-CB 3.43Å; A50-Y54 PolarHBondContact O-N 2.95Å
51V96Very high92.8Very high2 Ų260 Ų601%0.01232%0.32CS..Hα-helixtrans-65.5-44.5175.6175.20000110.6I17 L21 L47 D53 Y54 F55 F69 L94I17-V51 HydrophobicContact CD1-CG1 4.35Å; I17-V51 HydrophobicContact CG2-CB 3.93Å; I17-V51 HydrophobicContact CG2-CG1 3.69Å; L21-V51 HydrophobicContact CD1-CB 4.49Å; L21-V51 HydrophobicContact CD1-CG2 4.21Å; L47-V51 HydrophobicContact CD1-CG2 4.21Å; L47-V51 HydrophobicContact CG-CG2 4.3Å; L47-V51 WeakPolarHBondContact O-CB 3.18Å; L47-V51 VanDerWaalsContact O-CG2 3.26Å; L47-V51 WeakPolarHBondContact O-CG2 3.36Å; L47-V51 PolarHBondContact O-N 3.19Å; V51-D53 PolarHBondContact O-N 2.85Å; V51-Y54 PolarHBondContact O-N 3.18Å; V51-F55 HydrophobicContact CG1-CD2 3.67Å; V51-F55 HydrophobicContact CG1-CE2 3.54Å; V51-F55 WeakPolarHBondContact O-CD2 3.32Å; V51-F55 PolarHBondContact O-N 3.42Å; V51-F69 HydrophobicContact CG2-CE1 4.06Å; V51-L94 HydrophobicContact CG1-CD1 4.3Å
52E94.8Very high92.9Very high21 Ų2156.3 Ų56.310%0.09831%0.309CS..Hα-helixtrans-57-48.4175.2-171.1-162.2155.800111.9R10 F13 I17 G48 G49 Y54 F55 I56R10-E52 IonicContact CZ-OE1 3.33Å; R10-E52 IonicContact NE-OE1 3.72Å; R10-E52 PolarHBondContact NE-OE1 3.39Å; R10-E52 IonicContact NH2-OE1 2.94Å; R10-E52 PolarHBondContact NH2-OE1 2.99Å; F13-E52 HydrophobicContact CD1-CG 4.34Å; I17-E52 HydrophobicContact CD1-CB 3.83Å; I17-E52 HydrophobicContact CD1-CG 4.19Å; G48-E52 WeakPolarHBondContact O-CB 3.35Å; G48-E52 PolarHBondContact O-N 3.21Å; G48-E52 VanDerWaalsContact O-N 3.17Å; G49-E52 PolarHBondContact O-N 3.22Å; E52-Y54 VanDerWaalsContact C-N 3.35Å; E52-Y54 PolarHBondContact O-N 2.96Å; E52-F55 PolarHBondContact O-N 3Å; E52-I56 HydrophobicContact CG-CD1 3.78Å; E52-I56 VanDerWaalsContact O-CG1 3.32Å; E52-I56 WeakPolarHBondContact O-CG1 3.36Å; E52-I56 PolarHBondContact O-N 3.1Å
53D94.7Very high92.8Very high106 Ų10653.3 Ų53.357%0.56730%0.297SS*.Hα-helixtrans-61.7-43.3179.4-168.5-102.3000111.5G49 A50 V51 F55 I56 A57G49-D53 WeakPolarHBondContact O-CB 3.42Å; G49-D53 PolarHBondContact O-N 2.93Å; A50-D53 PolarHBondContact O-N 3.28Å; V51-D53 PolarHBondContact O-N 2.85Å; D53-F55 PolarHBondContact O-N 3.3Å; D53-I56 PolarHBondContact O-N 3.35Å; D53-I56 VanDerWaalsContact O-N 3.16Å; D53-A57 VanDerWaalsContact O-CB 3.23Å; D53-A57 WeakPolarHBondContact O-CB 3.23Å; D53-A57 PolarHBondContact O-N 2.82Å
54Y95.3Very high92.8Very high50 Ų5058.6 Ų58.620%0.19632%0.322CS..Hα-helixtrans-57.9-45.2175.9-178.6-104.9000112.4A50 V51 E52 N58 L61 F69A50-Y54 WeakPolarHBondContact O-CB 3.43Å; A50-Y54 PolarHBondContact O-N 2.95Å; V51-Y54 PolarHBondContact O-N 3.18Å; E52-Y54 VanDerWaalsContact C-N 3.35Å; E52-Y54 PolarHBondContact O-N 2.96Å; Y54-N58 WeakPolarHBondContact CD2-ND2 3.34Å; Y54-N58 WeakPolarHBondContact CE2-ND2 3.23Å; Y54-N58 WeakPolarHBondContact O-CB 3.38Å; Y54-N58 PolarHBondContact O-N 3.36Å; Y54-N58 PolarHBondContact O-ND2 3.17Å; Y54-L61 HydrophobicContact CD1-CD1 3.96Å; Y54-L61 HydrophobicContact CE1-CD1 3.75Å; Y54-L61 HydrophobicContact CE1-CD2 3.6Å; Y54-L61 HydrophobicContact CE1-CG 4.34Å; Y54-F69 AromaticContact CD1-CD1 3.66Å; Y54-F69 HydrophobicContact CD1-CD1 3.66Å; Y54-F69 AromaticContact CD1-CE1 3.73Å; Y54-F69 HydrophobicContact CD1-CE1 3.73Å; Y54-F69 HydrophobicContact CD1-CG 4.11Å; Y54-F69 HydrophobicContact CD1-CZ 4.24Å; Y54-F69 HydrophobicContact CD2-CD1 4.49Å; Y54-F69 HydrophobicContact CD2-CD2 4.1Å; Y54-F69 HydrophobicContact CD2-CE1 4.3Å; Y54-F69 AromaticContact CD2-CE2 3.91Å; Y54-F69 HydrophobicContact CD2-CE2 3.91Å; Y54-F69 HydrophobicContact CD2-CG 4.37Å; Y54-F69 AromaticContact CD2-CZ 3.99Å; Y54-F69 HydrophobicContact CD2-CZ 3.99Å; Y54-F69 HydrophobicContact CE1-CB 4.16Å; Y54-F69 AromaticContact CE1-CD1 3.89Å; Y54-F69 HydrophobicContact CE1-CD1 3.89Å; Y54-F69 HydrophobicContact CE1-CE1 4.4Å; Y54-F69 AromaticContact CE1-CG 3.97Å; Y54-F69 HydrophobicContact CE1-CG 3.97Å; Y54-F69 HydrophobicContact CE2-CD2 4.1Å; Y54-F69 HydrophobicContact CE2-CE2 4.35Å; Y54-F69 HydrophobicContact CE2-CG 4.26Å; Y54-F69 AromaticContact CG-CD1 3.97Å; Y54-F69 HydrophobicContact CG-CD1 3.97Å; Y54-F69 HydrophobicContact CG-CD2 4.37Å; Y54-F69 AromaticContact CG-CE1 3.65Å; Y54-F69 HydrophobicContact CG-CE1 3.65Å; Y54-F69 HydrophobicContact CG-CE2 4.09Å; Y54-F69 HydrophobicContact CG-CG 4.3Å; Y54-F69 AromaticContact CG-CZ 3.7Å; Y54-F69 HydrophobicContact CG-CZ 3.7Å
55F94.1Very high92.9Very high1 Ų162 Ų620%0.00433%0.334CS..Hα-helixtrans-67-35.6176.6-84.5-74.4000112.9F13 I17 V51 E52 D53 L61 I66 L94 F98F13-F55 HydrophobicContact CE1-CB 3.76Å; F13-F55 HydrophobicContact CE1-CG 4.39Å; F13-F55 HydrophobicContact CZ-CB 3.71Å; F13-F55 HydrophobicContact CZ-CD1 4.38Å; F13-F55 HydrophobicContact CZ-CD2 4.2Å; F13-F55 AromaticContact CZ-CG 3.86Å; F13-F55 HydrophobicContact CZ-CG 3.86Å; I17-F55 HydrophobicContact CD1-CD2 4.27Å; V51-F55 HydrophobicContact CG1-CD2 3.67Å; V51-F55 HydrophobicContact CG1-CE2 3.54Å; V51-F55 WeakPolarHBondContact O-CD2 3.32Å; V51-F55 PolarHBondContact O-N 3.42Å; E52-F55 PolarHBondContact O-N 3Å; D53-F55 PolarHBondContact O-N 3.3Å; F55-L61 HydrophobicContact CD1-CD1 3.39Å; F55-L61 HydrophobicContact CE1-CD1 3.68Å; F55-L61 HydrophobicContact CG-CD1 4.09Å; F55-I66 HydrophobicContact CE1-CD1 3.63Å; F55-I66 HydrophobicContact CE1-CG1 3.95Å; F55-I66 HydrophobicContact CZ-CD1 3.73Å; F55-I66 HydrophobicContact CZ-CG1 3.82Å; F55-I66 HydrophobicContact CZ-CG2 3.86Å; F55-L94 HydrophobicContact CE2-CB 4.04Å; F55-L94 HydrophobicContact CE2-CD1 4.42Å; F55-L94 HydrophobicContact CZ-CB 3.81Å; F55-F98 HydrophobicContact CB-CD2 3.87Å; F55-F98 HydrophobicContact CB-CE2 3.98Å; F55-F98 HydrophobicContact CD1-CB 3.69Å; F55-F98 AromaticContact CD1-CD1 3.83Å; F55-F98 HydrophobicContact CD1-CD1 3.83Å; F55-F98 AromaticContact CD1-CD2 3.67Å; F55-F98 HydrophobicContact CD1-CD2 3.67Å; F55-F98 HydrophobicContact CD1-CE1 4.34Å; F55-F98 HydrophobicContact CD1-CE2 4.22Å; F55-F98 AromaticContact CD1-CG 3.45Å; F55-F98 HydrophobicContact CD1-CG 3.45Å; F55-F98 VanDerWaalsContact CD1-CG 3.45Å; F55-F98 HydrophobicContact CE1-CB 3.86Å; F55-F98 HydrophobicContact CE1-CD1 4.28Å; F55-F98 HydrophobicContact CE1-CG 4.04Å; F55-F98 HydrophobicContact CG-CD2 4.13Å; F55-F98 HydrophobicContact CG-CG 4.32Å; F55-F98 WeakPolarHBondContact O-CE2 3.47Å; F55-F98 WeakPolarHBondContact O-CZ 3.46Å
56I91.1Very high93.1Very high68 Ų6855.7 Ų55.735%0.34931%0.305SS..Hα-helixtrans-75.8-34.5179.8-67.7170.6000111.5R10 E52 D53 N58R10-I56 HydrophobicContact CG-CD1 4.22Å; E52-I56 HydrophobicContact CG-CD1 3.78Å; E52-I56 VanDerWaalsContact O-CG1 3.32Å; E52-I56 WeakPolarHBondContact O-CG1 3.36Å; E52-I56 PolarHBondContact O-N 3.1Å; D53-I56 PolarHBondContact O-N 3.35Å; D53-I56 VanDerWaalsContact O-N 3.16Å; I56-N58 VanDerWaalsContact C-N 3.34Å
57A91.7Very high93.1Very high72 Ų7252.7 Ų52.760%0.59530%0.296SS*.Hα-helixtrans-74.2-25.5-179.100000113D53D53-A57 VanDerWaalsContact O-CB 3.23Å; D53-A57 WeakPolarHBondContact O-CB 3.23Å; D53-A57 PolarHBondContact O-N 2.82Å
58N90Very high93.1Very high62 Ų6258.4 Ų58.433%0.33233%0.327SS..  trans-109.8151.7-177.7-63.9-74.2000111.8Y54 I56 L61Y54-N58 WeakPolarHBondContact CD2-ND2 3.34Å; Y54-N58 WeakPolarHBondContact CE2-ND2 3.23Å; Y54-N58 WeakPolarHBondContact O-CB 3.38Å; Y54-N58 PolarHBondContact O-N 3.36Å; Y54-N58 PolarHBondContact O-ND2 3.17Å; I56-N58 VanDerWaalsContact C-N 3.34Å; N58-L61 HydrophobicContact CB-CD1 4Å; N58-L61 HydrophobicContact CB-CD2 3.72Å; N58-L61 HydrophobicContact CB-CG 3.79Å
59V83.6Confident93.2Very high113 Ų11360 Ų6069%0.68533%0.333SS*.SBendtrans-117.3146.7173.2-640000108.6L61V59-L61 PolarHBondContact O-N 2.91Å
60D84.9Confident93.3Very high136 Ų13658.7 Ų58.773%0.72732%0.319SS*.SBendtrans56.741.8175.6-68-84.3000115.3A62D60-A62 PolarHBondContact O-N 3.06Å
61L91Very high93.3Very high10 Ų1058.5 Ų58.55%0.05232%0.319CS..  trans-59.5121.3175.7-73.8166.9000112.5Y54 F55 N58 V59 E65 I66 Q95Y54-L61 HydrophobicContact CD1-CD1 3.96Å; Y54-L61 HydrophobicContact CE1-CD1 3.75Å; Y54-L61 HydrophobicContact CE1-CD2 3.6Å; Y54-L61 HydrophobicContact CE1-CG 4.34Å; F55-L61 HydrophobicContact CD1-CD1 3.39Å; F55-L61 HydrophobicContact CE1-CD1 3.68Å; F55-L61 HydrophobicContact CG-CD1 4.09Å; N58-L61 HydrophobicContact CB-CD1 4Å; N58-L61 HydrophobicContact CB-CD2 3.72Å; N58-L61 HydrophobicContact CB-CG 3.79Å; V59-L61 PolarHBondContact O-N 2.91Å; L61-E65 HydrophobicContact CD2-CB 4.37Å; L61-I66 HydrophobicContact CB-CD1 4.08Å; L61-I66 HydrophobicContact CB-CG1 4.03Å; L61-I66 HydrophobicContact CD1-CG1 4.5Å; L61-Q95 PolarHBondContact O-NE2 2.71Å
62A93.3Very high93.4Very high40 Ų4064.2 Ų64.233%0.33135%0.346SS..  trans-72.4159.2171.300000111.3D60 E64 E65 I66D60-A62 PolarHBondContact O-N 3.06Å; A62-E64 VanDerWaalsContact C-N 3.31Å; A62-E64 PolarHBondContact O-N 3.46Å; A62-E65 HydrophobicContact CB-CG 4.16Å; A62-E65 WeakPolarHBondContact CB-OE2 3.44Å; A62-E65 PolarHBondContact N-OE2 3.45Å; A62-E65 PolarHBondContact O-N 3.47Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 2.92Å
63L93.4Very high93.4Very high51 Ų5164 Ų6427%0.26735%0.345SS..Hα-helixtrans-62.7-42.3-178.7-179.262.7000111.1E65 I66 E67 S91 Q92 Q95L63-E65 VanDerWaalsContact C-N 3.28Å; L63-E65 PolarHBondContact O-N 2.94Å; L63-I66 PolarHBondContact O-N 2.87Å; L63-E67 WeakPolarHBondContact O-CB 3.43Å; L63-E67 PolarHBondContact O-N 3.32Å; L63-S91 VanDerWaalsContact CD1-C 3.48Å; L63-Q92 HydrophobicContact CD1-CB 4Å; L63-Q92 VanDerWaalsContact CD1-N 3.34Å; L63-Q95 VanDerWaalsContact N-NE2 3.15Å
64E94.3Very high93.4Very high159 Ų15959 Ų5974%0.74332%0.318SS*.Hα-helixtrans-60.6-36.1178.2-64.6167.391.700111.9A62 E67 D68A62-E64 VanDerWaalsContact C-N 3.31Å; A62-E64 PolarHBondContact O-N 3.46Å; E64-E67 PolarHBondContact O-N 2.74Å; E64-D68 VanDerWaalsContact O-CB 3.29Å; E64-D68 WeakPolarHBondContact O-CB 3.26Å; E64-D68 PolarHBondContact O-N 2.85Å
65E95.8Very high93.5Very high94 Ų9460 Ų6044%0.43933%0.329SS..Hα-helixtrans-71.1-36.6178.3-64.9177114.100112.3L61 A62 L63 F69L61-E65 HydrophobicContact CD2-CB 4.37Å; A62-E65 HydrophobicContact CB-CG 4.16Å; A62-E65 WeakPolarHBondContact CB-OE2 3.44Å; A62-E65 PolarHBondContact N-OE2 3.45Å; A62-E65 PolarHBondContact O-N 3.47Å; L63-E65 VanDerWaalsContact C-N 3.28Å; L63-E65 PolarHBondContact O-N 2.94Å; E65-F69 VanDerWaalsContact O-CB 3.23Å; E65-F69 WeakPolarHBondContact O-CB 3.3Å; E65-F69 PolarHBondContact O-N 3.43Å; E65-F69 VanDerWaalsContact O-N 3.12Å
66I95.8Very high93.5Very high2 Ų264.5 Ų64.51%0.0136%0.357CS..Hα-helixtrans-70.3-41.6176-61162.1000109.6F55 L61 A62 L63 L70 Q95F55-I66 HydrophobicContact CE1-CD1 3.63Å; F55-I66 HydrophobicContact CE1-CG1 3.95Å; F55-I66 HydrophobicContact CZ-CD1 3.73Å; F55-I66 HydrophobicContact CZ-CG1 3.82Å; F55-I66 HydrophobicContact CZ-CG2 3.86Å; L61-I66 HydrophobicContact CB-CD1 4.08Å; L61-I66 HydrophobicContact CB-CG1 4.03Å; L61-I66 HydrophobicContact CD1-CG1 4.5Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 2.92Å; L63-I66 PolarHBondContact O-N 2.87Å; I66-L70 VanDerWaalsContact O-CB 3.25Å; I66-L70 WeakPolarHBondContact O-CB 3.4Å; I66-L70 PolarHBondContact O-N 3.46Å; I66-Q95 HydrophobicContact CD1-CB 3.65Å; I66-Q95 HydrophobicContact CD1-CG 3.94Å
67E95.9Very high93.7Very high67 Ų6763.7 Ų63.731%0.31335%0.352SS..Hα-helixtrans-63.1-48.6178.6-171.3178.9151.100111.6L63 E64 L70 G71 L87 S91L63-E67 WeakPolarHBondContact O-CB 3.43Å; L63-E67 PolarHBondContact O-N 3.32Å; E64-E67 PolarHBondContact O-N 2.74Å; E67-L70 PolarHBondContact O-N 3.39Å; E67-G71 PolarHBondContact O-N 3.45Å; E67-L87 HydrophobicContact CG-CD2 3.69Å; E67-L87 HydrophobicContact CG-CG 3.86Å; E67-S91 WeakPolarHBondContact CA-OG 3.28Å
68D95.6Very high93.9Very high120 Ų12060.2 Ų60.264%0.64232%0.324SS*.Hα-helixtrans-61.5-46.8178-171-106.8000111.2E64 L70 G71 E72E64-D68 VanDerWaalsContact O-CB 3.29Å; E64-D68 WeakPolarHBondContact O-CB 3.26Å; E64-D68 PolarHBondContact O-N 2.85Å; D68-L70 PolarHBondContact O-N 2.93Å; D68-G71 PolarHBondContact O-N 3.12Å; D68-E72 WeakPolarHBondContact O-CB 3.46Å; D68-E72 PolarHBondContact O-N 3.47Å
69F96.4Very high94.1Very high36 Ų3663.9 Ų63.916%0.15834%0.343CS..Hα-helixtrans-59.4-47.6176.2173.5-111.8000112.6V51 Y54 E65 E72 L73V51-F69 HydrophobicContact CG2-CE1 4.06Å; Y54-F69 AromaticContact CD1-CD1 3.66Å; Y54-F69 HydrophobicContact CD1-CD1 3.66Å; Y54-F69 AromaticContact CD1-CE1 3.73Å; Y54-F69 HydrophobicContact CD1-CE1 3.73Å; Y54-F69 HydrophobicContact CD1-CG 4.11Å; Y54-F69 HydrophobicContact CD1-CZ 4.24Å; Y54-F69 HydrophobicContact CD2-CD1 4.49Å; Y54-F69 HydrophobicContact CD2-CD2 4.1Å; Y54-F69 HydrophobicContact CD2-CE1 4.3Å; Y54-F69 AromaticContact CD2-CE2 3.91Å; Y54-F69 HydrophobicContact CD2-CE2 3.91Å; Y54-F69 HydrophobicContact CD2-CG 4.37Å; Y54-F69 AromaticContact CD2-CZ 3.99Å; Y54-F69 HydrophobicContact CD2-CZ 3.99Å; Y54-F69 HydrophobicContact CE1-CB 4.16Å; Y54-F69 AromaticContact CE1-CD1 3.89Å; Y54-F69 HydrophobicContact CE1-CD1 3.89Å; Y54-F69 HydrophobicContact CE1-CE1 4.4Å; Y54-F69 AromaticContact CE1-CG 3.97Å; Y54-F69 HydrophobicContact CE1-CG 3.97Å; Y54-F69 HydrophobicContact CE2-CD2 4.1Å; Y54-F69 HydrophobicContact CE2-CE2 4.35Å; Y54-F69 HydrophobicContact CE2-CG 4.26Å; Y54-F69 AromaticContact CG-CD1 3.97Å; Y54-F69 HydrophobicContact CG-CD1 3.97Å; Y54-F69 HydrophobicContact CG-CD2 4.37Å; Y54-F69 AromaticContact CG-CE1 3.65Å; Y54-F69 HydrophobicContact CG-CE1 3.65Å; Y54-F69 HydrophobicContact CG-CE2 4.09Å; Y54-F69 HydrophobicContact CG-CG 4.3Å; Y54-F69 AromaticContact CG-CZ 3.7Å; Y54-F69 HydrophobicContact CG-CZ 3.7Å; E65-F69 VanDerWaalsContact O-CB 3.23Å; E65-F69 WeakPolarHBondContact O-CB 3.3Å; E65-F69 PolarHBondContact O-N 3.43Å; E65-F69 VanDerWaalsContact O-N 3.12Å; F69-E72 PolarHBondContact O-N 3.05Å; F69-L73 HydrophobicContact CD1-CD1 3.95Å; F69-L73 HydrophobicContact CD2-CD1 4.19Å; F69-L73 HydrophobicContact CE1-CD1 3.49Å; F69-L73 VanDerWaalsContact CE1-CD1 3.49Å; F69-L73 HydrophobicContact CE2-CD1 3.76Å; F69-L73 HydrophobicContact CE2-CG 4.33Å; F69-L73 HydrophobicContact CG-CD1 4.3Å; F69-L73 HydrophobicContact CZ-CD1 3.41Å; F69-L73 VanDerWaalsContact CZ-CD1 3.41Å; F69-L73 HydrophobicContact CZ-CG 4.42Å; F69-L73 WeakPolarHBondContact O-CG 3.25Å; F69-L73 PolarHBondContact O-N 3.24Å
70L96.5Very high94.6Very high3 Ų359.4 Ų59.42%0.01632%0.316CS..Hα-helixtrans-69.9-35.8-179.1-171.161.8000111.7L21 W24 I66 E67 D68 L73 M74 L87 V90 L94L21-L70 HydrophobicContact CD2-CD1 4.08Å; W24-L70 HydrophobicContact CE3-CD1 4.5Å; W24-L70 HydrophobicContact CE3-CD2 4.19Å; W24-L70 HydrophobicContact CH2-CD1 4.14Å; W24-L70 HydrophobicContact CH2-CD2 3.57Å; W24-L70 HydrophobicContact CH2-CG 3.51Å; W24-L70 HydrophobicContact CZ2-CD2 4.28Å; W24-L70 HydrophobicContact CZ3-CD1 3.59Å; W24-L70 HydrophobicContact CZ3-CD2 3.53Å; W24-L70 HydrophobicContact CZ3-CG 3.49Å; W24-L70 VanDerWaalsContact CZ3-CG 3.49Å; I66-L70 VanDerWaalsContact O-CB 3.25Å; I66-L70 WeakPolarHBondContact O-CB 3.4Å; I66-L70 PolarHBondContact O-N 3.46Å; E67-L70 PolarHBondContact O-N 3.39Å; D68-L70 PolarHBondContact O-N 2.93Å; L70-L73 PolarHBondContact O-N 3.24Å; L70-M74 WeakPolarHBondContact O-CG 3.35Å; L70-M74 PolarHBondContact O-N 3.38Å; L70-L87 HydrophobicContact CB-CD1 3.93Å; L70-L87 HydrophobicContact CD2-CD1 3.87Å; L70-L87 HydrophobicContact CG-CD1 3.78Å; L70-V90 HydrophobicContact CD2-CB 4.47Å; L70-V90 HydrophobicContact CD2-CG1 3.84Å; L70-L94 HydrophobicContact CD2-CD1 4.39Å
71G95.9Very high95Very high16 Ų1657.9 Ų57.917%0.16531%0.311CS..Hα-helixtrans-66.4-41.5174.300000112.7E67 D68 L73 M74 T75E67-G71 PolarHBondContact O-N 3.45Å; D68-G71 PolarHBondContact O-N 3.12Å; G71-L73 VanDerWaalsContact C-N 3.34Å; G71-M74 PolarHBondContact O-N 2.93Å; G71-T75 WeakPolarHBondContact O-CB 3.2Å; G71-T75 PolarHBondContact O-N 3.43Å; G71-T75 PolarHBondContact O-OG1 3.16Å
72E96.6Very high95.1Very high122 Ų12258.4 Ų58.457%0.5732%0.315SS*.Hα-helixtrans-61.7-42.6173.9-175.9175.978.700111D68 F69 T75 T76D68-E72 WeakPolarHBondContact O-CB 3.46Å; D68-E72 PolarHBondContact O-N 3.47Å; F69-E72 PolarHBondContact O-N 3.05Å; E72-T75 PolarHBondContact O-N 2.78Å; E72-T76 VanDerWaalsContact O-CB 3.23Å; E72-T76 WeakPolarHBondContact O-CB 3.33Å; E72-T76 PolarHBondContact O-N 3.46Å; E72-T76 PolarHBondContact O-OG1 3.11Å
73L95.6Very high95.1Very high17 Ų1765 Ų659%0.08934%0.339CS..Hα-helixtrans-64-43.9176.3-74167.8000112.3W46 L47 F69 L70 G71 T75 T76 E77W46-L73 HydrophobicContact CH2-CD2 3.88Å; W46-L73 HydrophobicContact CZ3-CD2 3.95Å; L47-L73 HydrophobicContact CD1-CB 4.01Å; L47-L73 HydrophobicContact CD1-CD1 3.64Å; L47-L73 HydrophobicContact CD1-CD2 4.39Å; L47-L73 HydrophobicContact CD1-CG 4.24Å; F69-L73 HydrophobicContact CD1-CD1 3.95Å; F69-L73 HydrophobicContact CD2-CD1 4.19Å; F69-L73 HydrophobicContact CE1-CD1 3.49Å; F69-L73 VanDerWaalsContact CE1-CD1 3.49Å; F69-L73 HydrophobicContact CE2-CD1 3.76Å; F69-L73 HydrophobicContact CE2-CG 4.33Å; F69-L73 HydrophobicContact CG-CD1 4.3Å; F69-L73 HydrophobicContact CZ-CD1 3.41Å; F69-L73 VanDerWaalsContact CZ-CD1 3.41Å; F69-L73 HydrophobicContact CZ-CG 4.42Å; F69-L73 WeakPolarHBondContact O-CG 3.25Å; F69-L73 PolarHBondContact O-N 3.24Å; L70-L73 PolarHBondContact O-N 3.24Å; G71-L73 VanDerWaalsContact C-N 3.34Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 PolarHBondContact O-N 2.88Å; L73-T76 PolarHBondContact O-N 3.21Å; L73-E77 HydrophobicContact CD2-CG 4.33Å; L73-E77 VanDerWaalsContact O-CB 3.3Å; L73-E77 WeakPolarHBondContact O-CB 3.34Å; L73-E77 PolarHBondContact O-N 2.98Å
74M95.9Very high95Very high1 Ų167.7 Ų67.71%0.00535%0.353CS..Hα-helixtrans-61.2-40.2175.1-74.7-61.6-68.200112W24 A26 L27 A30 L70 G71 F78 D79 T80 V82W24-M74 HydrophobicContact CE3-SD 4.5Å; W24-M74 HydrophobicContact CH2-CG 3.39Å; W24-M74 HydrophobicContact CH2-SD 3.93Å; W24-M74 HydrophobicContact CZ2-CG 4.36Å; W24-M74 HydrophobicContact CZ3-CG 3.72Å; W24-M74 HydrophobicContact CZ3-SD 3.73Å; A26-M74 HydrophobicContact CB-CE 4.22Å; L27-M74 HydrophobicContact CB-SD 4.49Å; L27-M74 HydrophobicContact CD1-SD 4Å; A30-M74 HydrophobicContact CB-CE 4.29Å; L70-M74 WeakPolarHBondContact O-CG 3.35Å; L70-M74 PolarHBondContact O-N 3.38Å; G71-M74 PolarHBondContact O-N 2.93Å; M74-F78 CarbonylContact O-C 3.33Å; M74-F78 WeakPolarHBondContact O-CA 3.46Å; M74-F78 WeakPolarHBondContact O-CB 3.42Å; M74-F78 PolarHBondContact O-N 2.9Å; M74-F78 HydrophobicContact SD-CD2 4.11Å; M74-F78 HydrophobicContact SD-CG 4.44Å; M74-D79 PolarHBondContact O-N 3.47Å; M74-T80 CarbonylContact C-O 3.13Å; M74-T80 WeakPolarHBondContact CB-O 3.42Å; M74-T80 HydrophobicContact CE-CG2 3.82Å; M74-T80 PolarHBondContact O-N 3.25Å; M74-V82 HydrophobicContact CB-CG2 4.05Å; M74-V82 HydrophobicContact CE-CG2 3.76Å; M74-V82 HydrophobicContact CG-CG2 3.92Å
75T95.4Very high94.9Very high69 Ų6961.7 Ų61.742%0.42333%0.334SS..Hα-helixtrans-72.2-44.5-180-55.20000111.5G71 E72 L73 D79 T80G71-T75 WeakPolarHBondContact O-CB 3.2Å; G71-T75 PolarHBondContact O-N 3.43Å; G71-T75 PolarHBondContact O-OG1 3.16Å; E72-T75 PolarHBondContact O-N 2.78Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 PolarHBondContact O-N 2.88Å; T75-D79 VanDerWaalsContact O-CA 3.29Å; T75-D79 WeakPolarHBondContact O-CA 3.43Å; T75-D79 PolarHBondContact O-N 2.93Å; T75-T80 WeakPolarHBondContact CA-O 3.36Å; T75-T80 PolarHBondContact N-O 2.88Å
76T95.1Very high94.9Very high96 Ų9657.5 Ų57.559%0.58932%0.316SS*.Hα-helixtrans-81-44.9-172.1-54.40000112.3E72 L73E72-T76 VanDerWaalsContact O-CB 3.23Å; E72-T76 WeakPolarHBondContact O-CB 3.33Å; E72-T76 PolarHBondContact O-N 3.46Å; E72-T76 PolarHBondContact O-OG1 3.11Å; L73-T76 PolarHBondContact O-N 3.21Å
77E95.3Very high94.8Very high51 Ų5158.2 Ų58.224%0.23832%0.319CS..Hα-helixtrans-88.8-33.9-174.8-66.3-60.3113.600112.4G36 K43 W46 L73G36-E77 VanDerWaalsContact CA-O 3.28Å; G36-E77 WeakPolarHBondContact CA-O 3.31Å; K43-E77 HydrophobicContact CD-CB 4.36Å; K43-E77 WeakPolarHBondContact CD-O 3.32Å; K43-E77 VanDerWaalsContact CE-OE2 3.26Å; K43-E77 WeakPolarHBondContact CE-OE2 3.49Å; K43-E77 PolarHBondContact NZ-O 3.15Å; K43-E77 IonicContact NZ-OE2 3.57Å; W46-E77 HydrophobicContact CZ3-CG 3.94Å; L73-E77 HydrophobicContact CD2-CG 4.33Å; L73-E77 VanDerWaalsContact O-CB 3.3Å; L73-E77 WeakPolarHBondContact O-CB 3.34Å; L73-E77 PolarHBondContact O-N 2.98Å
78F95.1Very high94.8Very high0 Ų057.2 Ų57.20%032%0.319CS..Hα-helixtrans-112.64.9-174.2-60.8-93.1000113.5L27 A30 V31 F35 G36 T40 K43 A44 L47 M74 T80L27-F78 HydrophobicContact CD1-CD1 4.09Å; L27-F78 HydrophobicContact CD1-CD2 4.31Å; L27-F78 HydrophobicContact CD1-CE1 3.62Å; L27-F78 HydrophobicContact CD1-CE2 3.87Å; L27-F78 HydrophobicContact CD1-CG 4.42Å; L27-F78 HydrophobicContact CD1-CZ 3.52Å; A30-F78 HydrophobicContact CB-CB 4.14Å; A30-F78 HydrophobicContact CB-CD1 4.03Å; A30-F78 HydrophobicContact CB-CG 4.4Å; V31-F78 HydrophobicContact CG2-CE1 4.1Å; F35-F78 CarbonylContact C-O 3.47Å; F35-F78 WeakPolarHBondContact CB-O 2.95Å; G36-F78 PolarHBondContact N-O 2.98Å; T40-F78 HydrophobicContact CG2-CD1 3.48Å; T40-F78 VanDerWaalsContact CG2-CD1 3.48Å; T40-F78 HydrophobicContact CG2-CE1 3.51Å; K43-F78 HydrophobicContact CB-CE1 4.23Å; K43-F78 HydrophobicContact CB-CZ 3.91Å; A44-F78 HydrophobicContact CB-CE1 4.34Å; A44-F78 HydrophobicContact CB-CZ 4.26Å; L47-F78 HydrophobicContact CD2-CE2 4.14Å; L47-F78 HydrophobicContact CD2-CZ 4.45Å; M74-F78 CarbonylContact O-C 3.33Å; M74-F78 WeakPolarHBondContact O-CA 3.46Å; M74-F78 WeakPolarHBondContact O-CB 3.42Å; M74-F78 PolarHBondContact O-N 2.9Å; M74-F78 HydrophobicContact SD-CD2 4.11Å; M74-F78 HydrophobicContact SD-CG 4.44Å; F78-T80 PolarHBondContact O-N 3.16Å; F78-T80 PolarHBondContact O-OG1 3.37Å
79D94.6Very high94.7Very high138 Ų13857.9 Ų57.974%0.73832%0.318SS*.  trans49.433.9-177.9-161.4-124.8000112.7M74 T75M74-D79 PolarHBondContact O-N 3.47Å; T75-D79 VanDerWaalsContact O-CA 3.29Å; T75-D79 WeakPolarHBondContact O-CA 3.43Å; T75-D79 PolarHBondContact O-N 2.93Å
80T93.5Very high94.7Very high20 Ų2056.7 Ų56.712%0.12331%0.313CS..  trans-126.5127-170.2-60.60000111F35 M74 T75 F78 V82F35-T80 VanDerWaalsContact CD2-OG1 3.29Å; F35-T80 WeakPolarHBondContact CD2-OG1 3.43Å; M74-T80 CarbonylContact C-O 3.13Å; M74-T80 WeakPolarHBondContact CB-O 3.42Å; M74-T80 HydrophobicContact CE-CG2 3.82Å; M74-T80 PolarHBondContact O-N 3.25Å; T75-T80 WeakPolarHBondContact CA-O 3.36Å; T75-T80 PolarHBondContact N-O 2.88Å; F78-T80 PolarHBondContact O-N 3.16Å; F78-T80 PolarHBondContact O-OG1 3.37Å; T80-V82 HydrophobicContact CG2-CG2 4.31Å
81V94.4Very high94.7Very high103 Ų10356.5 Ų56.562%0.62431%0.313SS*.  trans-98.1125.8170.2-173.50000108.9E83V81-E83 HydrophobicContact CG1-CG 4Å
82V93.8Very high94.7Very high22 Ų2261.2 Ų61.213%0.13333%0.33CS..  trans-101106.2-176.7-172.60000110.4W24 A26 M74 T80 D84 S86 L87W24-V82 HydrophobicContact CH2-CG2 4.36Å; W24-V82 HydrophobicContact CZ2-CB 4.44Å; W24-V82 HydrophobicContact CZ2-CG1 4.05Å; W24-V82 HydrophobicContact CZ2-CG2 4.05Å; A26-V82 HydrophobicContact CB-CG1 3.9Å; A26-V82 HydrophobicContact CB-CG2 3.92Å; M74-V82 HydrophobicContact CB-CG2 4.05Å; M74-V82 HydrophobicContact CE-CG2 3.76Å; M74-V82 HydrophobicContact CG-CG2 3.92Å; T80-V82 HydrophobicContact CG2-CG2 4.31Å; V82-D84 WeakPolarHBondContact CG1-OD1 3.4Å; V82-S86 WeakPolarHBondContact CG1-OG 3.29Å; V82-L87 HydrophobicContact CB-CB 4.23Å; V82-L87 HydrophobicContact CG1-CB 3.92Å
83E92.2Very high94.6Very high179 Ų17957.8 Ų57.884%0.83631%0.314SS*.  trans-119.67.1-179.6-60.9-167.997.200113.7V81 G85V81-E83 HydrophobicContact CG1-CG 4Å; E83-G85 PolarHBondContact O-N 3.46Å
84D91.2Very high94.7Very high106 Ų10657 Ų5757%0.56731%0.31SS*.SBendtrans-79.3-2.2-177.376.9-78.5000113.8V82 S86V82-D84 WeakPolarHBondContact CG1-OD1 3.4Å; D84-S86 VanDerWaalsContact C-N 3.32Å; D84-S86 PolarHBondContact OD1-OG 2.82Å; D84-S86 WeakPolarHBondContact OD2-CB 3.43Å; D84-S86 PolarHBondContact OD2-N 3.1Å; D84-S86 PolarHBondContact OD2-OG 3.37Å
85G92.5Very high94.6Very high33 Ų3358.9 Ų58.934%0.3432%0.319SS..SBendtrans85.2-2.9-175.600000114.3E83 P88 Q89E83-G85 PolarHBondContact O-N 3.46Å; G85-P88 VanDerWaalsContact O-CD 3.3Å; G85-P88 WeakPolarHBondContact O-CD 3.41Å; G85-P88 VanDerWaalsContact O-CG 3.26Å; G85-P88 WeakPolarHBondContact O-CG 3.29Å; G85-Q89 WeakPolarHBondContact O-CG 3.33Å; G85-Q89 PolarHBondContact O-OE1 3.01Å
86S94.9Very high94.6Very high7 Ų757.6 Ų57.65%0.04931%0.311CS..Hα-helixtrans-70.2-30.1175.864.10000114W24 V82 D84 Q89 V90W24-S86 VanDerWaalsContact NE1-CB 3.35Å; W24-S86 PolarHBondContact NE1-OG 3.46Å; V82-S86 WeakPolarHBondContact CG1-OG 3.29Å; D84-S86 VanDerWaalsContact C-N 3.32Å; D84-S86 PolarHBondContact OD1-OG 2.82Å; D84-S86 WeakPolarHBondContact OD2-CB 3.43Å; D84-S86 PolarHBondContact OD2-N 3.1Å; D84-S86 PolarHBondContact OD2-OG 3.37Å; S86-Q89 WeakPolarHBondContact O-CB 3.03Å; S86-Q89 PolarHBondContact O-N 3.19Å; S86-V90 PolarHBondContact O-N 3.43Å
87L94.9Very high94.6Very high17 Ų1753 Ų539%0.08928%0.283CS..Hα-helixtrans-55.7-54.5179-176.573.6000113W24 E67 L70 V82 Q89 V90 S91W24-L87 HydrophobicContact CH2-CD1 3.4Å; W24-L87 HydrophobicContact CZ2-CB 4.08Å; W24-L87 HydrophobicContact CZ2-CD1 3.49Å; W24-L87 VanDerWaalsContact CZ2-CD1 3.49Å; W24-L87 HydrophobicContact CZ2-CG 4.41Å; E67-L87 HydrophobicContact CG-CD2 3.69Å; E67-L87 HydrophobicContact CG-CG 3.86Å; L70-L87 HydrophobicContact CB-CD1 3.93Å; L70-L87 HydrophobicContact CD2-CD1 3.87Å; L70-L87 HydrophobicContact CG-CD1 3.78Å; V82-L87 HydrophobicContact CB-CB 4.23Å; V82-L87 HydrophobicContact CG1-CB 3.92Å; L87-Q89 VanDerWaalsContact C-N 3.26Å; L87-Q89 PolarHBondContact O-N 3.3Å; L87-V90 PolarHBondContact O-N 3.14Å; L87-S91 WeakPolarHBondContact O-CB 3.4Å; L87-S91 PolarHBondContact O-N 3.03Å; L87-S91 PolarHBondContact O-OG 2.98Å
88P94.9Very high94.5Very high46 Ų4651 Ų5130%0.29927%0.273SS..Hα-helixtrans-65.3-29.5176.623.3-34.2000112.8G85 Q92G85-P88 VanDerWaalsContact O-CD 3.3Å; G85-P88 WeakPolarHBondContact O-CD 3.41Å; G85-P88 VanDerWaalsContact O-CG 3.26Å; G85-P88 WeakPolarHBondContact O-CG 3.29Å; P88-Q92 WeakPolarHBondContact O-CB 3.48Å; P88-Q92 PolarHBondContact O-N 3.03Å
89Q95Very high94.4Very high133 Ų13354.8 Ų54.862%0.62129%0.291SS*.Hα-helixtrans-66.9-47.8177.7-65.6-179-86.600111.9G85 S86 L87 S91 Q92 E93G85-Q89 WeakPolarHBondContact O-CG 3.33Å; G85-Q89 PolarHBondContact O-OE1 3.01Å; S86-Q89 WeakPolarHBondContact O-CB 3.03Å; S86-Q89 PolarHBondContact O-N 3.19Å; L87-Q89 VanDerWaalsContact C-N 3.26Å; L87-Q89 PolarHBondContact O-N 3.3Å; Q89-S91 VanDerWaalsContact C-N 3.33Å; Q89-Q92 PolarHBondContact O-N 2.73Å; Q89-E93 PolarHBondContact O-N 3.35Å; Q89-E93 VanDerWaalsContact O-N 3.1Å
90V95.9Very high94.3Very high11 Ų1150.5 Ų50.57%0.06727%0.267CS..Hα-helixtrans-65.7-39.7176.5167.70000110.8W24 L70 S86 L87 Q92 E93 L94W24-V90 HydrophobicContact CB-CG2 3.97Å; W24-V90 HydrophobicContact CD2-CB 4.44Å; W24-V90 HydrophobicContact CD2-CG1 4.39Å; W24-V90 HydrophobicContact CD2-CG2 4.08Å; W24-V90 HydrophobicContact CE3-CG1 4.49Å; W24-V90 HydrophobicContact CG-CB 4.46Å; W24-V90 HydrophobicContact CG-CG2 3.61Å; L70-V90 HydrophobicContact CD2-CB 4.47Å; L70-V90 HydrophobicContact CD2-CG1 3.84Å; S86-V90 PolarHBondContact O-N 3.43Å; L87-V90 PolarHBondContact O-N 3.14Å; V90-Q92 VanDerWaalsContact C-N 3.3Å; V90-Q92 PolarHBondContact O-N 2.99Å; V90-E93 PolarHBondContact O-N 3.14Å; V90-E93 VanDerWaalsContact O-N 3.16Å; V90-L94 HydrophobicContact CG1-CD1 3.89Å; V90-L94 HydrophobicContact CG1-CG 4.23Å; V90-L94 WeakPolarHBondContact O-CG 3.48Å; V90-L94 PolarHBondContact O-N 3.35Å
91S96.4Very high94.3Very high0 Ų051.8 Ų51.80%027%0.271CS..Hα-helixtrans-59.2-41.6176.7-57.50000111.9L63 E67 L87 Q89 Q95L63-S91 VanDerWaalsContact CD1-C 3.48Å; E67-S91 WeakPolarHBondContact CA-OG 3.28Å; L87-S91 WeakPolarHBondContact O-CB 3.4Å; L87-S91 PolarHBondContact O-N 3.03Å; L87-S91 PolarHBondContact O-OG 2.98Å; Q89-S91 VanDerWaalsContact C-N 3.33Å; S91-Q95 WeakPolarHBondContact O-CB 3.4Å; S91-Q95 PolarHBondContact O-N 3.34Å
92Q95.8Very high94.1Very high115 Ų11551.6 Ų51.654%0.53726%0.263SS..Hα-helixtrans-67.2-39.6175.9-178.5177.297.700112.4L63 P88 Q89 V90 Q95 T96L63-Q92 HydrophobicContact CD1-CB 4Å; L63-Q92 VanDerWaalsContact CD1-N 3.34Å; P88-Q92 WeakPolarHBondContact O-CB 3.48Å; P88-Q92 PolarHBondContact O-N 3.03Å; Q89-Q92 PolarHBondContact O-N 2.73Å; V90-Q92 VanDerWaalsContact C-N 3.3Å; V90-Q92 PolarHBondContact O-N 2.99Å; Q92-Q95 PolarHBondContact O-N 2.91Å; Q92-T96 PolarHBondContact O-N 3.49Å; Q92-T96 PolarHBondContact O-OG1 3.17Å
93E95.3Very high93.9Very high50 Ų5057.7 Ų57.723%0.23429%0.288CS..Hα-helixtrans-63.1-47.5176.7-173.5157.269.700110.7Q89 V90 Q95 T96 M97 M112 I116Q89-E93 PolarHBondContact O-N 3.35Å; Q89-E93 VanDerWaalsContact O-N 3.1Å; V90-E93 PolarHBondContact O-N 3.14Å; V90-E93 VanDerWaalsContact O-N 3.16Å; E93-Q95 PolarHBondContact O-N 3.33Å; E93-T96 PolarHBondContact O-N 2.99Å; E93-M97 HydrophobicContact CG-CE 3.86Å; E93-M97 WeakPolarHBondContact O-CG 3.4Å; E93-M97 PolarHBondContact O-N 2.81Å; E93-M112 HydrophobicContact CG-SD 4.31Å; E93-I116 VanDerWaalsContact CD-CD1 3.47Å; E93-I116 HydrophobicContact CG-CD1 4.07Å
94L95.8Very high93.8Very high1 Ų151.4 Ų51.41%0.00527%0.271CS..Hα-helixtrans-60.9-43.2175.3-69.1172.6000112.5I17 A20 V51 F55 L70 V90 T96 M97 F98I17-L94 HydrophobicContact CB-CD2 4.28Å; I17-L94 HydrophobicContact CG1-CD2 4Å; I17-L94 HydrophobicContact CG2-CD2 4.22Å; A20-L94 HydrophobicContact CB-CD2 3.91Å; V51-L94 HydrophobicContact CG1-CD1 4.3Å; F55-L94 HydrophobicContact CE2-CB 4.04Å; F55-L94 HydrophobicContact CE2-CD1 4.42Å; F55-L94 HydrophobicContact CZ-CB 3.81Å; L70-L94 HydrophobicContact CD2-CD1 4.39Å; V90-L94 HydrophobicContact CG1-CD1 3.89Å; V90-L94 HydrophobicContact CG1-CG 4.23Å; V90-L94 WeakPolarHBondContact O-CG 3.48Å; V90-L94 PolarHBondContact O-N 3.35Å; L94-T96 VanDerWaalsContact C-N 3.31Å; L94-T96 PolarHBondContact O-N 3.04Å; L94-M97 HydrophobicContact CD2-SD 4.36Å; L94-M97 WeakPolarHBondContact O-CB 3.47Å; L94-M97 PolarHBondContact O-N 3.22Å; L94-F98 PolarHBondContact O-N 2.97Å
95Q95.1Very high93.8Very high39 Ų3949.8 Ų49.818%0.18226%0.262CS..Hα-helixtrans-60.5-42.7176.1-171.8-178.969.800111.5L61 L63 I66 S91 Q92 E93 F98 Q99L61-Q95 PolarHBondContact O-NE2 2.71Å; L63-Q95 VanDerWaalsContact N-NE2 3.15Å; I66-Q95 HydrophobicContact CD1-CB 3.65Å; I66-Q95 HydrophobicContact CD1-CG 3.94Å; S91-Q95 WeakPolarHBondContact O-CB 3.4Å; S91-Q95 PolarHBondContact O-N 3.34Å; Q92-Q95 PolarHBondContact O-N 2.91Å; E93-Q95 PolarHBondContact O-N 3.33Å; Q95-F98 PolarHBondContact O-N 3.26Å; Q95-Q99 WeakPolarHBondContact O-CG 3.39Å; Q95-Q99 PolarHBondContact O-N 3.36Å
96T94.6Very high93.7Very high42 Ų4248.8 Ų48.826%0.25825%0.252SS..Hα-helixtrans-64.5-43.3179.4-54.40000110.7Q92 E93 L94 F98 Q99 H100 M112Q92-T96 PolarHBondContact O-N 3.49Å; Q92-T96 PolarHBondContact O-OG1 3.17Å; E93-T96 PolarHBondContact O-N 2.99Å; L94-T96 VanDerWaalsContact C-N 3.31Å; L94-T96 PolarHBondContact O-N 3.04Å; T96-F98 VanDerWaalsContact C-N 3.31Å; T96-F98 PolarHBondContact O-N 3.42Å; T96-Q99 PolarHBondContact O-N 3.34Å; T96-H100 PolarHBondContact O-CD2 3.49Å; T96-H100 PolarHBondContact O-N 2.83Å; T96-H100 VanDerWaalsContact O-N 3.15Å; T96-M112 HydrophobicContact CG2-CE 3.72Å
97M94.5Very high93.6Very high0 Ų051.8 Ų51.80%028%0.277CS..Hα-helixtrans-56.8-45.7172.5-67.2173.4176.800111.5F13 A16 A20 E93 L94 Q99 H100 F101 L109 M112 I116F13-M97 HydrophobicContact CD2-CB 4.33Å; F13-M97 HydrophobicContact CE2-CB 4.05Å; A16-M97 HydrophobicContact CB-CE 4.13Å; A16-M97 HydrophobicContact CB-CG 4.33Å; A16-M97 HydrophobicContact CB-SD 3.63Å; A20-M97 HydrophobicContact CB-CE 4.07Å; A20-M97 HydrophobicContact CB-SD 4.4Å; E93-M97 HydrophobicContact CG-CE 3.86Å; E93-M97 WeakPolarHBondContact O-CG 3.4Å; E93-M97 PolarHBondContact O-N 2.81Å; L94-M97 HydrophobicContact CD2-SD 4.36Å; L94-M97 WeakPolarHBondContact O-CB 3.47Å; L94-M97 PolarHBondContact O-N 3.22Å; M97-Q99 VanDerWaalsContact C-N 3.31Å; M97-Q99 PolarHBondContact O-N 2.9Å; M97-H100 PolarHBondContact O-N 3.31Å; M97-H100 VanDerWaalsContact O-N 3.12Å; M97-F101 PolarHBondContact O-N 3.47Å; M97-L109 HydrophobicContact CB-CD2 3.74Å; M97-L109 HydrophobicContact CG-CD2 4.18Å; M97-L109 WeakPolarHBondContact O-CD2 3.01Å; M97-M112 HydrophobicContact CE-CG 3.72Å; M97-M112 HydrophobicContact CE-SD 3.71Å; M97-M112 HydrophobicContact CG-CG 4.38Å; M97-M112 HydrophobicContact CG-SD 3.36Å; M97-M112 WeakPolarHBondContact CG-SD 3.5Å; M97-M112 HydrophobicContact SD-SD 4.44Å; M97-I116 HydrophobicContact CE-CD1 3.11Å
98F94.1Very high93.5Very high8 Ų851.9 Ų51.94%0.03528%0.28CS..Hα-helixtrans-62.7-37.4179.4-176.8-119.5000112.4F13 F55 L94 Q95 T96 H100 F101 Q102F13-F98 HydrophobicContact CE1-CD2 4.19Å; F13-F98 HydrophobicContact CE2-CB 4.04Å; F13-F98 HydrophobicContact CE2-CD2 4.27Å; F13-F98 HydrophobicContact CZ-CB 4.05Å; F13-F98 AromaticContact CZ-CD2 3.67Å; F13-F98 HydrophobicContact CZ-CD2 3.67Å; F13-F98 HydrophobicContact CZ-CG 4.33Å; F55-F98 HydrophobicContact CB-CD2 3.87Å; F55-F98 HydrophobicContact CB-CE2 3.98Å; F55-F98 HydrophobicContact CD1-CB 3.69Å; F55-F98 AromaticContact CD1-CD1 3.83Å; F55-F98 HydrophobicContact CD1-CD1 3.83Å; F55-F98 AromaticContact CD1-CD2 3.67Å; F55-F98 HydrophobicContact CD1-CD2 3.67Å; F55-F98 HydrophobicContact CD1-CE1 4.34Å; F55-F98 HydrophobicContact CD1-CE2 4.22Å; F55-F98 AromaticContact CD1-CG 3.45Å; F55-F98 HydrophobicContact CD1-CG 3.45Å; F55-F98 VanDerWaalsContact CD1-CG 3.45Å; F55-F98 HydrophobicContact CE1-CB 3.86Å; F55-F98 HydrophobicContact CE1-CD1 4.28Å; F55-F98 HydrophobicContact CE1-CG 4.04Å; F55-F98 HydrophobicContact CG-CD2 4.13Å; F55-F98 HydrophobicContact CG-CG 4.32Å; F55-F98 WeakPolarHBondContact O-CE2 3.47Å; F55-F98 WeakPolarHBondContact O-CZ 3.46Å; L94-F98 PolarHBondContact O-N 2.97Å; Q95-F98 PolarHBondContact O-N 3.26Å; T96-F98 VanDerWaalsContact C-N 3.31Å; T96-F98 PolarHBondContact O-N 3.42Å; F98-H100 VanDerWaalsContact C-N 3.34Å; F98-H100 PolarHBondContact O-N 2.84Å; F98-F101 AromaticContact CD2-CD1 3.89Å; F98-F101 HydrophobicContact CD2-CD1 3.89Å; F98-F101 AromaticContact CE2-CD1 3.9Å; F98-F101 HydrophobicContact CE2-CD1 3.9Å; F98-F101 HydrophobicContact CE2-CE1 4.29Å; F98-F101 WeakPolarHBondContact O-CB 3.44Å; F98-F101 PolarHBondContact O-N 3.26Å; F98-Q102 HydrophobicContact CD1-CG 4.46Å; F98-Q102 HydrophobicContact CD2-CG 4.47Å; F98-Q102 HydrophobicContact CE1-CG 4.12Å; F98-Q102 HydrophobicContact CE2-CG 4.12Å; F98-Q102 HydrophobicContact CZ-CG 3.93Å; F98-Q102 WeakPolarHBondContact O-CG 3.27Å; F98-Q102 PolarHBondContact O-N 3.23Å
99Q93.2Very high93.4Very high81 Ų8149.8 Ų49.838%0.37927%0.266SS..Hα-helixtrans-63.9-37.7173.8-69.1176.511.600112.7Q95 T96 M97 K103Q95-Q99 WeakPolarHBondContact O-CG 3.39Å; Q95-Q99 PolarHBondContact O-N 3.36Å; T96-Q99 PolarHBondContact O-N 3.34Å; M97-Q99 VanDerWaalsContact C-N 3.31Å; M97-Q99 PolarHBondContact O-N 2.9Å; Q99-K103 WeakPolarHBondContact O-CD 3.47Å; Q99-K103 VanDerWaalsContact O-CG 3.26Å; Q99-K103 WeakPolarHBondContact O-CG 3.41Å; Q99-K103 PolarHBondContact O-N 3Å
100H92.8Very high93.3Very high48 Ų4848.9 Ų48.922%0.22226%0.262CS..Hα-helixtrans-69.4-39.4174.3-75.5-72000111.9T96 M97 F98 K103 G104 D105 A108 L109T96-H100 PolarHBondContact O-CD2 3.49Å; T96-H100 PolarHBondContact O-N 2.83Å; T96-H100 VanDerWaalsContact O-N 3.15Å; M97-H100 PolarHBondContact O-N 3.31Å; M97-H100 VanDerWaalsContact O-N 3.12Å; F98-H100 VanDerWaalsContact C-N 3.34Å; F98-H100 PolarHBondContact O-N 2.84Å; H100-K103 PolarHBondContact O-N 2.99Å; H100-G104 PolarHBondContact O-N 2.77Å; H100-G104 VanDerWaalsContact O-N 3.12Å; H100-D105 HydrophobicContact CB-CB 4.43Å; H100-D105 PolarHBondContact O-N 2.91Å; H100-A108 HydrophobicContact CB-CB 4.36Å; H100-A108 VanDerWaalsContact ND1-CB 3.28Å; H100-A108 WeakPolarHBondContact ND1-CB 3.29Å; H100-L109 HydrophobicContact CB-CD2 4.46Å; H100-L109 HydrophobicContact CB-CG 4.05Å
101F92.4Very high93.3Very high47 Ų4755.6 Ų55.621%0.20629%0.293CS..Hα-helixtrans-57.1-49.9172.5170.9-104.8000111.7V9 R10 F13 M97 F98 K103 G104 L109V9-F101 HydrophobicContact CG1-CD2 3.64Å; V9-F101 HydrophobicContact CG1-CE2 4.06Å; R10-F101 HydrophobicContact CB-CE2 4.13Å; F13-F101 HydrophobicContact CB-CB 4.27Å; F13-F101 HydrophobicContact CB-CD2 3.57Å; F13-F101 HydrophobicContact CB-CE2 4.22Å; F13-F101 HydrophobicContact CB-CG 4.07Å; F13-F101 HydrophobicContact CD1-CD1 4.34Å; F13-F101 HydrophobicContact CD1-CD2 4.14Å; F13-F101 HydrophobicContact CD1-CE2 4.48Å; F13-F101 HydrophobicContact CD1-CG 4.09Å; F13-F101 HydrophobicContact CD2-CB 3.77Å; F13-F101 HydrophobicContact CD2-CG 4.16Å; F13-F101 HydrophobicContact CE2-CB 4.24Å; F13-F101 HydrophobicContact CG-CB 3.96Å; F13-F101 AromaticContact CG-CD2 3.83Å; F13-F101 HydrophobicContact CG-CD2 3.83Å; F13-F101 AromaticContact CG-CG 3.84Å; F13-F101 HydrophobicContact CG-CG 3.84Å; M97-F101 PolarHBondContact O-N 3.47Å; F98-F101 AromaticContact CD2-CD1 3.89Å; F98-F101 HydrophobicContact CD2-CD1 3.89Å; F98-F101 AromaticContact CE2-CD1 3.9Å; F98-F101 HydrophobicContact CE2-CD1 3.9Å; F98-F101 HydrophobicContact CE2-CE1 4.29Å; F98-F101 WeakPolarHBondContact O-CB 3.44Å; F98-F101 PolarHBondContact O-N 3.26Å; F101-K103 PolarHBondContact O-N 2.79Å; F101-G104 PolarHBondContact O-N 3.04Å; F101-L109 HydrophobicContact CB-CD1 4.07Å
102Q90.6Very high93.1Very high98 Ų9857.6 Ų57.646%0.45830%0.303SS..Hα-helixtrans-62.1-30.6178.4-72.9-17185.500113.3F98 G104F98-Q102 HydrophobicContact CD1-CG 4.46Å; F98-Q102 HydrophobicContact CD2-CG 4.47Å; F98-Q102 HydrophobicContact CE1-CG 4.12Å; F98-Q102 HydrophobicContact CE2-CG 4.12Å; F98-Q102 HydrophobicContact CZ-CG 3.93Å; F98-Q102 WeakPolarHBondContact O-CG 3.27Å; F98-Q102 PolarHBondContact O-N 3.23Å; Q102-G104 VanDerWaalsContact C-N 3.3Å
103K90.6Very high93Very high151 Ų15153.1 Ų53.166%0.65728%0.283SS*.Hα-helixtrans-80-9.9175.2-69.6168.4-172.8169.50113.3Q99 H100 F101 D105Q99-K103 WeakPolarHBondContact O-CD 3.47Å; Q99-K103 VanDerWaalsContact O-CG 3.26Å; Q99-K103 WeakPolarHBondContact O-CG 3.41Å; Q99-K103 PolarHBondContact O-N 3Å; H100-K103 PolarHBondContact O-N 2.99Å; F101-K103 PolarHBondContact O-N 2.79Å; K103-D105 VanDerWaalsContact C-N 3.29Å
104G90Very high93Very high47 Ų4753.9 Ų53.949%0.48529%0.294SS..THydrogen-bonded Turntrans72.919.2-173.400000113.8H100 F101 Q102 G106H100-G104 PolarHBondContact O-N 2.77Å; H100-G104 VanDerWaalsContact O-N 3.12Å; F101-G104 PolarHBondContact O-N 3.04Å; Q102-G104 VanDerWaalsContact C-N 3.3Å; G104-G106 PolarHBondContact O-N 3.03Å; G104-G106 VanDerWaalsContact O-N 3.1Å
105D91.1Very high92.9Very high72 Ų7257.1 Ų57.139%0.38531%0.311SS..  trans-87.374.5-177.1-156.4-48.4000111H100 K103 A107 A108 L109H100-D105 HydrophobicContact CB-CB 4.43Å; H100-D105 PolarHBondContact O-N 2.91Å; K103-D105 VanDerWaalsContact C-N 3.29Å; D105-A107 PolarHBondContact O-N 3.01Å; D105-A108 HydrophobicContact CB-CB 4.29Å; D105-A108 PolarHBondContact O-N 3.43Å; D105-A108 VanDerWaalsContact OD1-CB 3.3Å; D105-A108 WeakPolarHBondContact OD1-CB 3.49Å; D105-A108 PolarHBondContact OD1-N 3.34Å; D105-L109 PolarHBondContact O-N 2.67Å
106G90.4Very high92.7Very high12 Ų1255.4 Ų55.412%0.12430%0.304CS..Hα-helixtrans-62.8-27.6178.900000113.6G104 L109 Q110G104-G106 PolarHBondContact O-N 3.03Å; G104-G106 VanDerWaalsContact O-N 3.1Å; G106-L109 PolarHBondContact O-N 3.29Å; G106-Q110 WeakPolarHBondContact O-CB 3.5Å; G106-Q110 PolarHBondContact O-N 3.47Å
107A91.9Very high92.5Very high70 Ų7056.2 Ų56.258%0.57931%0.306SS*.Hα-helixtrans-67.4-45.6178.700000111.4D105 Q110 E111D105-A107 PolarHBondContact O-N 3.01Å; A107-Q110 PolarHBondContact O-N 2.88Å; A107-E111 PolarHBondContact O-N 2.76Å
108A92.8Very high92.2Very high19 Ų1962.8 Ų62.816%0.15734%0.337CS..Hα-helixtrans-63.2-41175.100000112.2H100 D105 Q110 E111 M112H100-A108 HydrophobicContact CB-CB 4.36Å; H100-A108 VanDerWaalsContact ND1-CB 3.28Å; H100-A108 WeakPolarHBondContact ND1-CB 3.29Å; D105-A108 HydrophobicContact CB-CB 4.29Å; D105-A108 PolarHBondContact O-N 3.43Å; D105-A108 VanDerWaalsContact OD1-CB 3.3Å; D105-A108 WeakPolarHBondContact OD1-CB 3.49Å; D105-A108 PolarHBondContact OD1-N 3.34Å; A108-Q110 VanDerWaalsContact C-N 3.34Å; A108-Q110 PolarHBondContact O-N 3.13Å; A108-E111 PolarHBondContact O-N 3.19Å; A108-M112 WeakPolarHBondContact O-CB 3.29Å; A108-M112 PolarHBondContact O-N 2.94Å
109L93.8Very high91.7Very high1 Ų168.1 Ų68.11%0.00536%0.36CS..Hα-helixtrans-58.4-46.1173.9-83.7169.4000111.9V9 F13 A16 M97 H100 F101 D105 G106 M112 T113V9-L109 HydrophobicContact CG1-CD1 4.31Å; F13-L109 HydrophobicContact CB-CD1 4.21Å; F13-L109 HydrophobicContact CD2-CD2 4.07Å; A16-L109 HydrophobicContact CB-CD2 4.06Å; M97-L109 HydrophobicContact CB-CD2 3.74Å; M97-L109 HydrophobicContact CG-CD2 4.18Å; M97-L109 WeakPolarHBondContact O-CD2 3.01Å; H100-L109 HydrophobicContact CB-CD2 4.46Å; H100-L109 HydrophobicContact CB-CG 4.05Å; F101-L109 HydrophobicContact CB-CD1 4.07Å; D105-L109 PolarHBondContact O-N 2.67Å; G106-L109 PolarHBondContact O-N 3.29Å; L109-M112 PolarHBondContact O-N 3.17Å; L109-T113 WeakPolarHBondContact O-CB 3.18Å; L109-T113 PolarHBondContact O-N 3.34Å; L109-T113 PolarHBondContact O-OG1 2.96Å
110Q93.2Very high90.9Very high115 Ų11566.7 Ų66.754%0.53735%0.353SS..Hα-helixtrans-66-40179.2-167.3-169.9-3500111.7G106 A107 A108 S114G106-Q110 WeakPolarHBondContact O-CB 3.5Å; G106-Q110 PolarHBondContact O-N 3.47Å; A107-Q110 PolarHBondContact O-N 2.88Å; A108-Q110 VanDerWaalsContact C-N 3.34Å; A108-Q110 PolarHBondContact O-N 3.13Å; Q110-S114 WeakPolarHBondContact O-CB 3.24Å; Q110-S114 PolarHBondContact O-N 3.44Å; Q110-S114 PolarHBondContact O-OG 3.4Å
111E94.4Very high89.4Confident151 Ų15168.2 Ų68.271%0.70637%0.368SS*.Hα-helixtrans-62-48.7175.7-177.517882.900111.3A107 A108 T113 S114 N115A107-E111 PolarHBondContact O-N 2.76Å; A108-E111 PolarHBondContact O-N 3.19Å; E111-T113 PolarHBondContact O-N 2.84Å; E111-S114 WeakPolarHBondContact O-CB 3.35Å; E111-S114 PolarHBondContact O-N 3.4Å; E111-S114 VanDerWaalsContact O-N 3.17Å; E111-N115 WeakPolarHBondContact O-CB 3.45Å; E111-N115 PolarHBondContact O-N 2.83Å
112M93.4Very high87.5Confident43 Ų4374.1 Ų74.121%0.21239%0.393CS..Hα-helixtrans-61.2-45.5178.6-172.9170.9-7700111.3E93 T96 M97 A108 L109 S114 N115 I116E93-M112 HydrophobicContact CG-SD 4.31Å; T96-M112 HydrophobicContact CG2-CE 3.72Å; M97-M112 HydrophobicContact CE-CG 3.72Å; M97-M112 HydrophobicContact CE-SD 3.71Å; M97-M112 HydrophobicContact CG-CG 4.38Å; M97-M112 HydrophobicContact CG-SD 3.36Å; M97-M112 WeakPolarHBondContact CG-SD 3.5Å; M97-M112 HydrophobicContact SD-SD 4.44Å; A108-M112 WeakPolarHBondContact O-CB 3.29Å; A108-M112 PolarHBondContact O-N 2.94Å; L109-M112 PolarHBondContact O-N 3.17Å; M112-S114 VanDerWaalsContact C-N 3.3Å; M112-S114 PolarHBondContact O-N 3.25Å; M112-N115 WeakPolarHBondContact O-CB 3.3Å; M112-N115 PolarHBondContact O-N 3.13Å; M112-N115 VanDerWaalsContact O-N 3.17Å; M112-I116 HydrophobicContact CG-CD1 4.12Å; M112-I116 WeakPolarHBondContact O-CG1 3.39Å; M112-I116 PolarHBondContact O-N 3.12Å
113T94.1Very high85.6Confident21 Ų2175.4 Ų75.413%0.12941%0.408CS..Hα-helixtrans-57.5-43.6174.4-560000111.5A16 A19 L109 E111 I116 N117A16-T113 WeakPolarHBondContact CA-OG1 3.46Å; A16-T113 WeakPolarHBondContact CB-OG1 3.21Å; A19-T113 HydrophobicContact CB-CG2 3.84Å; L109-T113 WeakPolarHBondContact O-CB 3.18Å; L109-T113 PolarHBondContact O-N 3.34Å; L109-T113 PolarHBondContact O-OG1 2.96Å; E111-T113 PolarHBondContact O-N 2.84Å; T113-I116 PolarHBondContact O-N 3.41Å; T113-N117 PolarHBondContact O-N 3.2Å; T113-N117 PolarHBondContact O-ND2 3.17Å
114S93.8Very high83.5Confident66 Ų6674.1 Ų74.146%0.46241%0.413SS..Hα-helixtrans-65.7-40178.4-58.30000111.7Q110 E111 M112 N117 Q118Q110-S114 WeakPolarHBondContact O-CB 3.24Å; Q110-S114 PolarHBondContact O-N 3.44Å; Q110-S114 PolarHBondContact O-OG 3.4Å; E111-S114 WeakPolarHBondContact O-CB 3.35Å; E111-S114 PolarHBondContact O-N 3.4Å; E111-S114 VanDerWaalsContact O-N 3.17Å; M112-S114 VanDerWaalsContact C-N 3.3Å; M112-S114 PolarHBondContact O-N 3.25Å; S114-N117 PolarHBondContact O-N 3.21Å; S114-Q118 WeakPolarHBondContact O-CB 3.44Å; S114-Q118 PolarHBondContact O-N 3.01Å
115N93.4Very high81.2Confident68 Ų6875 Ų7536%0.36442%0.416SS..Hα-helixtrans-63-44.3177.6-173.2-94.5000112E111 M112 Q118 K119E111-N115 WeakPolarHBondContact O-CB 3.45Å; E111-N115 PolarHBondContact O-N 2.83Å; M112-N115 WeakPolarHBondContact O-CB 3.3Å; M112-N115 PolarHBondContact O-N 3.13Å; M112-N115 VanDerWaalsContact O-N 3.17Å; N115-Q118 PolarHBondContact O-N 3.02Å; N115-K119 WeakPolarHBondContact O-CG 3.22Å; N115-K119 PolarHBondContact O-N 3.48Å; N115-K119 WeakPolarHBondContact OD1-CE 3.26Å; N115-K119 PolarHBondContact OD1-NZ 3.3Å
116I92.8Very high78.7Confident4 Ų477.8 Ų77.82%0.02144%0.435CS..Hα-helixtrans-61.2-49.7176.5-68.3165000110.3A19 A20 A23 E93 M97 M112 T113 Q118 K119 K120A19-I116 HydrophobicContact CB-CG2 4.33Å; A19-I116 WeakPolarHBondContact O-CG2 3.48Å; A20-I116 HydrophobicContact CB-CD1 4.33Å; A23-I116 HydrophobicContact CB-CG2 3.48Å; A23-I116 VanDerWaalsContact CB-CG2 3.48Å; E93-I116 VanDerWaalsContact CD-CD1 3.47Å; E93-I116 HydrophobicContact CG-CD1 4.07Å; M97-I116 HydrophobicContact CE-CD1 3.11Å; M112-I116 HydrophobicContact CG-CD1 4.12Å; M112-I116 WeakPolarHBondContact O-CG1 3.39Å; M112-I116 PolarHBondContact O-N 3.12Å; T113-I116 PolarHBondContact O-N 3.41Å; I116-Q118 VanDerWaalsContact C-N 3.31Å; I116-Q118 PolarHBondContact O-N 3.25Å; I116-K119 WeakPolarHBondContact O-CB 3.02Å; I116-K119 PolarHBondContact O-N 3.28Å; I116-K119 VanDerWaalsContact O-N 3.14Å; I116-K120 HydrophobicContact CG2-CD 4.28Å; I116-K120 WeakPolarHBondContact O-CG 3.36Å; I116-K120 PolarHBondContact O-N 3.4Å
117N89.9Confident76.6Confident59 Ų5981.9 Ų81.932%0.31646%0.46SS..Hα-helixtrans-61.9-37.4178.2-78.6-67.1000112.8T113 S114 K119 K120 C121T113-N117 PolarHBondContact O-N 3.2Å; T113-N117 PolarHBondContact O-ND2 3.17Å; S114-N117 PolarHBondContact O-N 3.21Å; N117-K119 PolarHBondContact O-N 3.3Å; N117-K120 PolarHBondContact O-N 3.15Å; N117-C121 PolarHBondContact O-N 3.22Å; N117-C121 PolarHBondContact O-SG 2.9Å; N117-C121 VanDerWaalsContact O-SG 3.35Å
118Q88.3Confident74.2Confident138 Ų13885.9 Ų85.965%0.64547%0.471SS*.Hα-helixtrans-65.1-39.5175.7-169.7-179.913.800112.2S114 N115 I116 K122S114-Q118 WeakPolarHBondContact O-CB 3.44Å; S114-Q118 PolarHBondContact O-N 3.01Å; N115-Q118 PolarHBondContact O-N 3.02Å; I116-Q118 VanDerWaalsContact C-N 3.31Å; I116-Q118 PolarHBondContact O-N 3.25Å; Q118-K122 WeakPolarHBondContact O-CB 3.46Å; Q118-K122 PolarHBondContact O-N 2.65Å; Q118-K122 VanDerWaalsContact O-N 3.15Å
119K83.6Confident72Confident120 Ų12094.1 Ų94.152%0.52250%0.503SS..Hα-helixtrans-64-41.6174.9-71.5164.2171.5165.80111.3N115 I116 N117N115-K119 WeakPolarHBondContact O-CG 3.22Å; N115-K119 PolarHBondContact O-N 3.48Å; N115-K119 WeakPolarHBondContact OD1-CE 3.26Å; N115-K119 PolarHBondContact OD1-NZ 3.3Å; I116-K119 WeakPolarHBondContact O-CB 3.02Å; I116-K119 PolarHBondContact O-N 3.28Å; I116-K119 VanDerWaalsContact O-N 3.14Å; N117-K119 PolarHBondContact O-N 3.3Å
120K75.9Confident69.3Low50 Ų5099.9 Ų99.922%0.21754%0.538CS..Hα-helixtrans-59.2-52.1174-66.3171.179.3-174.70111.8E22 A23 I116 N117 K122 V123 T124E22-K120 VanDerWaalsContact O-CE 3.31Å; E22-K120 WeakPolarHBondContact O-CE 3.43Å; E22-K120 IonicContact OE1-NZ 3.01Å; E22-K120 PolarHBondContact OE1-NZ 3.31Å; A23-K120 HydrophobicContact CB-CD 3.72Å; A23-K120 HydrophobicContact CB-CG 3.74Å; I116-K120 HydrophobicContact CG2-CD 4.28Å; I116-K120 WeakPolarHBondContact O-CG 3.36Å; I116-K120 PolarHBondContact O-N 3.4Å; N117-K120 PolarHBondContact O-N 3.15Å; K120-K122 VanDerWaalsContact C-N 3.3Å; K120-K122 PolarHBondContact O-N 3.19Å; K120-V123 PolarHBondContact O-N 3.29Å; K120-T124 PolarHBondContact O-OG1 3.24Å
121C60.2Low67.2Low80 Ų8098.8 Ų98.854%0.54155%0.549SS..Hα-helixtrans-67-26.5-176.7-67.70000114.2N117 V123 T124 A125N117-C121 PolarHBondContact O-N 3.22Å; N117-C121 PolarHBondContact O-SG 2.9Å; N117-C121 VanDerWaalsContact O-SG 3.35Å; C121-V123 PolarHBondContact O-N 3.35Å; C121-T124 PolarHBondContact O-N 2.98Å; C121-T124 VanDerWaalsContact O-N 3.17Å; C121-A125 PolarHBondContact O-N 2.8Å
122K52.8Low64.6Low171 Ų171101.3 Ų101.374%0.74356%0.557SS**Hα-helixtrans-69.2-20.5178.5-166.6174.7166.5-162.10112.5Q118 K120Q118-K122 WeakPolarHBondContact O-CB 3.46Å; Q118-K122 PolarHBondContact O-N 2.65Å; Q118-K122 VanDerWaalsContact O-N 3.15Å; K120-K122 VanDerWaalsContact C-N 3.3Å; K120-K122 PolarHBondContact O-N 3.19Å
123V50.8Low62.4Low126 Ų126107.3 Ų107.376%0.76459%0.585SS**Hα-helixtrans-79.1-28.6173.3-178.60000111.1K120 C121K120-V123 PolarHBondContact O-N 3.29Å; C121-V123 PolarHBondContact O-N 3.35Å
124T47.1Very low60Low124 Ų124112.5 Ų112.576%0.76162%0.617SS**Hα-helixtrans-88.9-10.7-179.1-14.80000114.2K120 C121K120-T124 PolarHBondContact O-OG1 3.24Å; C121-T124 PolarHBondContact O-N 2.98Å; C121-T124 VanDerWaalsContact O-N 3.17Å
125A42Very low57.5Low66 Ų66112.4 Ų112.455%0.54563%0.627SS.*  trans-111.572-177.400000112.7C121 P127C121-A125 PolarHBondContact O-N 2.8Å; A125-P127 WeakPolarHBondContact O-CD 3.06Å
126T39.2Very low55.2Low129 Ų129115.9 Ų115.979%0.79165%0.65SS**  trans-110.181.6149.6-48.50000109.3L128T126-L128 PolarHBondContact O-N 3.32Å
127P44.9Very low52.8Low98 Ų98122.9 Ų122.964%0.63669%0.688SS**  trans-71115.2157.528.5-27.1000107.4A125 K129A125-P127 WeakPolarHBondContact O-CD 3.06Å; P127-K129 PolarHBondContact O-N 2.92Å
128L41.8Very low50.9Low155 Ų155127.2 Ų127.281%0.81271%0.706SS**  trans-53103.7165.2176.868000108.1T126 T130T126-L128 PolarHBondContact O-N 3.32Å; L128-T130 PolarHBondContact O-N 3.29Å; L128-T130 VanDerWaalsContact O-N 3.11Å
129K47.6Very low48.8Very low191 Ų191128.6 Ų128.683%0.8371%0.712SS**  trans-72.598.7170.5-67-174.6178.2-175.10108.2P127 A131P127-K129 PolarHBondContact O-N 2.92Å; K129-A131 PolarHBondContact O-N 3.11Å
130T35.9Very low47.1Very low123 Ų123129.8 Ų129.876%0.75573%0.725SS**  trans-78.7111.5153.7-59.70000107.1L128 K132L128-T130 PolarHBondContact O-N 3.29Å; L128-T130 VanDerWaalsContact O-N 3.11Å; T130-K132 PolarHBondContact O-N 3.43Å
131A50.3Low46Very low92 Ų92132.8 Ų132.876%0.7675%0.747SS**  trans-56.9129.6169.400000110K129K129-A131 PolarHBondContact O-N 3.11Å
132K39.5Very low45.2Very low203 Ų203136.3 Ų136.388%0.88376%0.76SS**  trans-152.9118148.8-157.2164.7175.3-173.90111.6T130T130-K132 PolarHBondContact O-N 3.43Å
133E47Very low45.4Very low169 Ų169133 Ų13379%0.7976%0.758SS**  trans-55.1147.9161.7-61.117478.300110.9
134T42.4Very low45.7Very low130 Ų130133.6 Ų133.680%0.79876%0.762SS**SBendtrans61.2109.7146.7-39.80000118.5
135G42.3Very low46Very low65 Ų65136.9 Ų136.967%0.6777%0.769SS**  trans81.3122.8131.800000118.5
136V45.6Very low46.6Very low141 Ų141142.6 Ų142.686%0.85578%0.784SS**  trans36.9115.1144.2-169.10000116.9
137D40.9Very low47.3Very low151 Ų151145.2 Ų145.281%0.80779%0.79SS**  179.9155118-159.442.8000111
138E51.1Low47.4Very low149 Ų149147.3 Ų147.370%0.69679%0.791SS**  trans-84.2169.5-163.3-51.3-166.6107.400115.1
139E44.1Very low47.9Very low167 Ų167146.8 Ų146.878%0.7879%0.794SS**  trans61.3127.6154.3-31.3-158166.500120.2
140D48.3Very low47.8Very low146 Ų146142.7 Ų142.778%0.78179%0.785SS**  156.6148.8104.9-163.5-140.7000111.7
141V52.4Low48.5Very low112 Ų112141.2 Ų141.268%0.67979%0.786SS**  trans-68.3153.1-164.1-61.30000115.1
142D44.2Very low48.3Very low155 Ų155143.5 Ų143.583%0.82979%0.79SS**  trans-149.2116.4137.2-158.4-127.6000111.4
143S56.1Low48.9Very low100 Ų100140.5 Ų140.570%0.69978%0.784SS**  trans-69.8134.2176.8-650000110.7
144V57.8Low48.8Very low140 Ų140138.7 Ų138.785%0.84878%0.78SS**  trans-104.6121.6165.9-510000109.4
145E51.8Low48.9Very low192 Ų192136.2 Ų136.290%0.89778%0.78SS**  trans-69.5146.5-171.2-67.9-163.9107.200114
146E55.3Low48.9Very low186 Ų186138.4 Ų138.487%0.86978%0.78SS**  trans-74.7124.2176.2-163.3176.497.500110.1
147M53.1Low48.7Very low185 Ų185137.1 Ų137.191%0.91177%0.773SS**  trans-93.4100.2175.260-177.6-16600110.8
148E48.1Very low49Very low142 Ų142136.4 Ų136.466%0.66477%0.774SS**  trans-86.3122.8169.3-170.6-166.5119.400109.5T150E148-T150 HydrophobicContact CG-CG2 4.11Å; E148-T150 WeakPolarHBondContact OE1-CG2 3.42Å; E148-T150 PolarHBondContact OE1-OG1 3.45Å
149V51.6Low48.6Very low144 Ų144136.2 Ų136.287%0.87378%0.778SS**  trans-111.999.8165.9179.90000108.2
150T46.6Very low48.5Very low104 Ų104133.9 Ų133.964%0.63878%0.775SS**  trans-90.3136170.634.20000111.6E148E148-T150 HydrophobicContact CG-CG2 4.11Å; E148-T150 WeakPolarHBondContact OE1-CG2 3.42Å; E148-T150 PolarHBondContact OE1-OG1 3.45Å
151A50.6Low47.9Very low93 Ų93132.8 Ų132.877%0.76977%0.773SS**  trans-76.9158.7173.400000112.4
152T45.8Very low47.7Very low139 Ų139133.1 Ų133.185%0.85378%0.779SS**  trans150.5133.5155.4-67.90000106.5
153N52.1Low47.7Very low141 Ų141131.1 Ų131.175%0.75478%0.775SS**  cis-162.1154.229.1-163.825.2000111.9
154D45Very low47.2Very low131 Ų131134.9 Ų134.970%0.70178%0.781SS**  trans4.3130.8141.6-153.6-105.1000120.8
155G44.8Very low46.4Very low78 Ų78133.5 Ų133.580%0.80478%0.775SS**  trans-147.2115.9165.600000110.1
156T40.9Very low45.8Very low111 Ų111132.3 Ų132.368%0.68177%0.77SS**  trans-82.6151.1-161.7-136.50000114.9
157T43.2Very low45.6Very low113 Ų113128.5 Ų128.569%0.69376%0.761SS**  trans31.2130.3154.979.30000121.6
158T46Very low44.8Very low137 Ų137125.4 Ų125.484%0.8476%0.758SS**  -165.3132.8106.346.70000111.7
159D41.9Very low44.6Very low145 Ų145126.1 Ų126.178%0.77577%0.766SS**  trans-36.7147158.4-168.9-99.4000114.4
160V42.4Very low44.3Very low117 Ų117125 Ų12571%0.70976%0.762SS**  trans156106.5136.9163.90000112.2
161V35.7Very low44Very low123 Ų123126.6 Ų126.675%0.74577%0.766SS**  trans57.4114.1134.4172.50000120.5
162C48.6Very low44Very low120 Ų120127 Ų12781%0.81176%0.761SS**  trans-56.6145.5152.7-58.90000111.5
163P44.3Very low43.9Very low113 Ų113129.1 Ų129.173%0.73476%0.761SS**  -144.6143.8102.627.7-8.9000115
164Q45.9Very low43.7Very low178 Ų178128.4 Ų128.483%0.83276%0.762SS**  trans-65.9138.6158-171.6-179.6-90.500110.1
165P40.4Very low43.8Very low112 Ų112128.5 Ų128.573%0.72776%0.761SS**  -143.7121.3118.924.4-4.1000111.9
166Q40.3Very low43.9Very low167 Ų167132.8 Ų132.878%0.7876%0.758SS**  75.7149.6104.6-79.2-117.2-68.300116.5
167P49.7Very low44.4Very low106 Ų106136.4 Ų136.469%0.68877%0.767SS**  trans-87.8157.2-150.335.8-33.1000113
168S36.3Very low44.9Very low120 Ų120139.2 Ų139.284%0.83977%0.772SS**  trans-147.994.6173.1-60.10000111.4
169D44.6Very low45.2Very low157 Ų157139 Ų13984%0.8477%0.766SS**  trans-83.7142.6137.8-71.9-87.6000106.4
170P45.2Very low45.4Very low120 Ų120138.6 Ų138.678%0.77976%0.763SS**  -142.1168.666.534-12.2000112.4
171D39.8Very low46Very low138 Ų138137.7 Ų137.774%0.73876%0.757SS**  178.7151.961.2-177.6-107.9000108.2Q173D171-Q173 PolarHBondContact O-N 2.81Å
172P51.5Low46.6Very low102 Ų102141.3 Ų141.366%0.66277%0.766SS**  trans-86.2115.6-165.332-23.9000111.8T174P172-T174 PolarHBondContact O-N 2.69Å
173Q43Very low46.8Very low182 Ų182141.1 Ų141.185%0.8576%0.757SS**  trans-88.8100.6167.1-64.7-168.621.900109.7D171 I175D171-Q173 PolarHBondContact O-N 2.81Å; Q173-I175 PolarHBondContact O-N 3.35Å
174T48.6Very low47.4Very low127 Ų127139.8 Ų139.878%0.77976%0.763SS**  trans-21.697.1159.5-54.60000113.5P172P172-T174 PolarHBondContact O-N 2.69Å
175I47.4Very low47.9Very low133 Ų133141.2 Ų141.268%0.68276%0.761SS**  trans-78.5116.3160.4-64169.6000105.6Q173 E177Q173-I175 PolarHBondContact O-N 3.35Å; I175-E177 PolarHBondContact O-N 2.99Å
176K45.9Very low48.9Very low168 Ų168142.3 Ų142.373%0.7377%0.766SS**  trans-67.5114.2169.1-73-179.2172.4-174.70108E178K176-E178 PolarHBondContact O-N 3.48Å
177E52.2Low50.2Low187 Ų187140.6 Ų140.687%0.87476%0.761SS**THydrogen-bonded Turntrans-68.428.9-177.4-74.1176.274.100115.1I175I175-E177 PolarHBondContact O-N 2.99Å
178E54Low50.8Low172 Ų172141.6 Ų141.680%0.80477%0.765SS**THydrogen-bonded Turntrans-1120.9-169.3-48-170118.800115.5K176K176-E178 PolarHBondContact O-N 3.48Å
179D51.4Low52.3Low132 Ų132145.8 Ų145.871%0.70676%0.762SS**SBendtrans-14742.7-179.3-151.3-112.9000113.3
180I45.9Very low52.9Low137 Ų137150 Ų15070%0.70377%0.766SS**  trans-105103.9164.5-54.2172.2000106.4
181V54.6Low53.4Low98 Ų98154 Ų15459%0.59477%0.772SS**  trans-69.9131.7161.6-114.70000107.1D183V181-D183 PolarHBondContact O-N 3.25Å
182E49.9Very low53.7Low199 Ų199160.1 Ų160.193%0.9379%0.792SS**SBendtrans-69.532.8-177-149.5177.3111.200113.5
183D51.7Low53.8Low115 Ų115163.1 Ų163.162%0.61580%0.798SS**SBendtrans-142.4121.3176.9-149.2-81.2000106.3V181 W185V181-D183 PolarHBondContact O-N 3.25Å; D183-W185 PolarHBondContact O-N 2.89Å
184G56.7Low54.4Low85 Ų85162.1 Ų162.188%0.87680%0.795SS**SBendtrans-6649.6-166.400000116.6
185W56.2Low54.7Low208 Ų208164 Ų16479%0.78880%0.796SS**  trans-128.2112.6177-66.192.2000110.8D183D183-W185 PolarHBondContact O-N 2.89Å
186T63Low55.1Low135 Ų135165.8 Ų165.883%0.82880%0.803SS**  trans-77.6123.6175.5-600000111V188T186-V188 PolarHBondContact O-N 3.29Å
187I66.4Low55.7Low131 Ų131165.7 Ų165.767%0.67281%0.808SS**  trans-72111.8177.5-59.7170.5000110.2R189I187-R189 PolarHBondContact O-N 3.28Å
188V62.8Low55.9Low128 Ų128164.3 Ų164.378%0.77680%0.803SS**  trans-81.3103.5175-163.80000110.4T186 R190T186-V188 PolarHBondContact O-N 3.29Å; V188-R190 PolarHBondContact O-N 3.32Å
189R68.2Low56Low208 Ų208163.7 Ų163.779%0.78580%0.803SS**  trans-75113.1175.5-64.1-173.4-176.6169.25110.5I187I187-R189 PolarHBondContact O-N 3.28Å
190R57.3Low56.4Low245 Ų245166.2 Ų166.293%0.92581%0.811SS**  trans-77.6122.2173.5-60.3-177.7-170.1143.63.4109.7V188V188-R190 PolarHBondContact O-N 3.32Å
191K54.7Low57.3Low205 Ų205168.6 Ų168.689%0.89182%0.82SS**  trans-86.9134.8178-177.2161.7159.5164.50110.1
192K45.7Very low57.5Low266 Ų266175 Ų175100%1.15784%0.84SS**  trans-80.20173.2-172.9-178.3175.8760110.7

Retrieved 192 of 192 residues in 39 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).