A0A075B772_HUMAN Loading...

Zinc finger protein 582

AlphaFold DB , UniProt , Accession A0A075B772, Species HUMAN (Homo sapiens, Human), Gene ZNF582, Length 181 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
1M37.1Very low64.6Low233 Ų23395.1 Ų95.1100%1.14849%0.487SS*.  0107.90-69.2176.1167.200106.1L3M1-L3 PolarHBondContact O-N 3.48Å
2S49Very low66.3Low66 Ų6688.8 Ų88.846%0.46246%0.46SS..  trans-84.198.6-177.3-174.80000107.8G4 S5 S50S2-G4 PolarHBondContact O-N 3.4Å; S2-S5 PolarHBondContact O-N 3.19Å; S2-S50 PolarHBondContact OG-OG 3.34Å
3L49.4Very low67.8Low126 Ų12688.8 Ų88.866%0.6646%0.46SS*.Hα-helixtrans-54.4-25.4179.4-155.878.4000111.9M1 E6 L7M1-L3 PolarHBondContact O-N 3.48Å; L3-E6 PolarHBondContact O-N 2.87Å; L3-L7 PolarHBondContact O-N 3.39Å
4G51.6Low68.9Low5 Ų590.6 Ų90.65%0.05248%0.477CS..Hα-helixtrans-64-40178.600000115.1S2 E6 L7 F8 A48 V49S2-G4 PolarHBondContact O-N 3.4Å; G4-E6 VanDerWaalsContact C-N 3.28Å; G4-E6 PolarHBondContact O-N 3.33Å; G4-L7 PolarHBondContact O-N 3.49Å; G4-F8 PolarHBondContact O-N 3.28Å; G4-A48 VanDerWaalsContact CA-O 3.26Å; G4-A48 WeakPolarHBondContact CA-O 3.44Å; G4-V49 WeakPolarHBondContact O-CG1 3.21Å
5S55.9Low69.9Low43 Ų4388.9 Ų88.930%0.30146%0.464SS..Hα-helixtrans-72.4-21.1179.8-74.50000113.3S2 R9 S50S2-S5 PolarHBondContact O-N 3.19Å; S5-R9 WeakPolarHBondContact O-CG 3.28Å; S5-S50 PolarHBondContact OG-OG 3.4Å
6E63.3Low70.7Confident109 Ų10986.2 Ų86.251%0.50945%0.454SS..Hα-helixtrans-73.6-44.3175.8-74170.5-179.800110.6L3 G4 F8 R9 D10L3-E6 PolarHBondContact O-N 2.87Å; G4-E6 VanDerWaalsContact C-N 3.28Å; G4-E6 PolarHBondContact O-N 3.33Å; E6-F8 VanDerWaalsContact C-N 3.31Å; E6-F8 PolarHBondContact O-N 3.49Å; E6-R9 WeakPolarHBondContact O-CB 3.3Å; E6-R9 PolarHBondContact O-N 3.48Å; E6-D10 PolarHBondContact O-N 3.39Å; E6-D10 VanDerWaalsContact O-N 3.15Å
7L75Confident71.4Confident64 Ų6486.9 Ų86.934%0.33546%0.455SS..Hα-helixtrans-60.4-39.3178.4-71.3165.2000113L3 G4 R9 D10 L47L3-L7 PolarHBondContact O-N 3.39Å; G4-L7 PolarHBondContact O-N 3.49Å; L7-R9 VanDerWaalsContact C-N 3.33Å; L7-R9 PolarHBondContact O-N 3.06Å; L7-D10 PolarHBondContact O-N 3.29Å; L7-L47 HydrophobicContact CD1-CD1 4.31Å; L7-L47 HydrophobicContact CD1-CD2 4.34Å
8F81.2Confident72.1Confident7 Ų788.9 Ų88.93%0.03146%0.462CS..Hα-helixtrans-63.8-40.7176-175.8-94.5000111.4G4 E6 D10 V11 A12 M35 Y39 L42 V49 P52 V54 I55G4-F8 PolarHBondContact O-N 3.28Å; E6-F8 VanDerWaalsContact C-N 3.31Å; E6-F8 PolarHBondContact O-N 3.49Å; F8-D10 VanDerWaalsContact C-N 3.26Å; F8-D10 PolarHBondContact O-N 3.27Å; F8-V11 WeakPolarHBondContact O-CG2 3.26Å; F8-V11 PolarHBondContact O-N 3.31Å; F8-A12 HydrophobicContact CD1-CB 3.9Å; F8-A12 HydrophobicContact CE1-CB 3.66Å; F8-A12 HydrophobicContact CZ-CB 4.19Å; F8-A12 WeakPolarHBondContact O-CA 3.48Å; F8-A12 WeakPolarHBondContact O-CB 3.47Å; F8-A12 PolarHBondContact O-N 3.33Å; F8-M35 HydrophobicContact CE1-CE 3.79Å; F8-M35 HydrophobicContact CE2-CE 4.29Å; F8-M35 HydrophobicContact CZ-CE 3.37Å; F8-Y39 HydrophobicContact CD2-CD2 4.31Å; F8-Y39 HydrophobicContact CE2-CD2 4.38Å; F8-L42 HydrophobicContact CB-CD1 4.23Å; F8-L42 HydrophobicContact CD2-CD1 3.71Å; F8-L42 HydrophobicContact CG-CD1 4.45Å; F8-V49 HydrophobicContact CB-CG1 4.17Å; F8-P52 HydrophobicContact CB-CG 4.25Å; F8-P52 HydrophobicContact CD1-CB 4.09Å; F8-P52 HydrophobicContact CD1-CG 3.46Å; F8-P52 VanDerWaalsContact CD1-CG 3.46Å; F8-P52 HydrophobicContact CD2-CG 4.04Å; F8-P52 HydrophobicContact CE1-CB 4.05Å; F8-P52 HydrophobicContact CE1-CG 3.7Å; F8-P52 HydrophobicContact CE2-CG 4.29Å; F8-P52 HydrophobicContact CG-CG 3.63Å; F8-P52 HydrophobicContact CZ-CG 4.11Å; F8-V54 HydrophobicContact CE1-CG1 3.84Å; F8-V54 HydrophobicContact CZ-CG1 4.3Å; F8-I55 HydrophobicContact CE1-CG1 4.39Å; F8-I55 HydrophobicContact CE2-CD1 3.84Å; F8-I55 HydrophobicContact CE2-CG1 3.92Å; F8-I55 HydrophobicContact CZ-CD1 3.52Å; F8-I55 HydrophobicContact CZ-CG1 3.63Å
9R80.9Confident72.8Confident185 Ų18589.8 Ų89.870%0.69846%0.463SS*.Hα-helixtrans-64.7-31.8179.1-72.9175.7177.7-90.5-0.5112.6S5 E6 L7 V11S5-R9 WeakPolarHBondContact O-CG 3.28Å; E6-R9 WeakPolarHBondContact O-CB 3.3Å; E6-R9 PolarHBondContact O-N 3.48Å; L7-R9 VanDerWaalsContact C-N 3.33Å; L7-R9 PolarHBondContact O-N 3.06Å; R9-V11 VanDerWaalsContact C-N 3.28Å; R9-V11 PolarHBondContact O-N 3.15Å
10D82.7Confident73.5Confident132 Ų13285.7 Ų85.771%0.70644%0.441SS*.Hα-helixtrans-70-26.5179.9-67-26.6000113E6 L7 F8E6-D10 PolarHBondContact O-N 3.39Å; E6-D10 VanDerWaalsContact O-N 3.15Å; L7-D10 PolarHBondContact O-N 3.29Å; F8-D10 VanDerWaalsContact C-N 3.26Å; F8-D10 PolarHBondContact O-N 3.27Å
11V84.5Confident74.1Confident76 Ų7686.4 Ų86.446%0.46144%0.443SS..Hα-helixtrans-107.6-15179.7-59.50000113.5F8 R9 T38 L42F8-V11 WeakPolarHBondContact O-CG2 3.26Å; F8-V11 PolarHBondContact O-N 3.31Å; R9-V11 VanDerWaalsContact C-N 3.28Å; R9-V11 PolarHBondContact O-N 3.15Å; V11-T38 HydrophobicContact CB-CG2 4.22Å; V11-T38 HydrophobicContact CG2-CG2 3.46Å; V11-T38 VanDerWaalsContact CG2-CG2 3.46Å; V11-L42 HydrophobicContact CG2-CD1 3.95Å
12A85.6Confident76.5Confident19 Ų1986 Ų8616%0.15743%0.428CS..  trans-73.4137.1-178.100000111.9F8 V14 M35F8-A12 HydrophobicContact CD1-CB 3.9Å; F8-A12 HydrophobicContact CE1-CB 3.66Å; F8-A12 HydrophobicContact CZ-CB 4.19Å; F8-A12 WeakPolarHBondContact O-CA 3.48Å; F8-A12 WeakPolarHBondContact O-CB 3.47Å; F8-A12 PolarHBondContact O-N 3.33Å; A12-V14 HydrophobicContact CB-CG2 4.39Å; A12-M35 HydrophobicContact CB-CE 3.41Å; A12-M35 VanDerWaalsContact CB-CE 3.41Å
13I84.8Confident78.2Confident89 Ų8984 Ų8446%0.45641%0.413SS..  trans-83.9127.7163.9-58.7172.7000107.1F15 Y31 M35I13-F15 HydrophobicContact CG2-CD2 4.35Å; I13-F15 HydrophobicContact CG2-CE1 4.41Å; I13-F15 HydrophobicContact CG2-CE2 3.83Å; I13-F15 HydrophobicContact CG2-CZ 3.85Å; I13-Y31 HydrophobicContact CB-CE2 4.2Å; I13-Y31 HydrophobicContact CG2-CE2 4.36Å; I13-Y31 WeakPolarHBondContact O-CE2 3.04Å; I13-Y31 PolarHBondContact O-OH 3.35Å; I13-M35 HydrophobicContact CB-SD 4.37Å
14V84Confident80.2Confident115 Ų11580.2 Ų80.270%0.69740%0.4SS*.  trans-121.9118.5179.1-176.10000108A12A12-V14 HydrophobicContact CB-CG2 4.39Å
15F83.4Confident82Confident65 Ų6584.7 Ų84.729%0.28543%0.428SS..  trans-93.7141.6171-66-72.3000109.6I13 E19 W20 L23 Y31I13-F15 HydrophobicContact CG2-CD2 4.35Å; I13-F15 HydrophobicContact CG2-CE1 4.41Å; I13-F15 HydrophobicContact CG2-CE2 3.83Å; I13-F15 HydrophobicContact CG2-CZ 3.85Å; F15-E19 HydrophobicContact CB-CB 4.34Å; F15-E19 HydrophobicContact CD1-CB 4.12Å; F15-W20 HydrophobicContact CB-CB 4.34Å; F15-W20 HydrophobicContact CB-CE3 4.13Å; F15-W20 AromaticContact CD2-CE3 3.71Å; F15-W20 HydrophobicContact CD2-CE3 3.71Å; F15-W20 AromaticContact CD2-CZ3 3.9Å; F15-W20 HydrophobicContact CD2-CZ3 3.9Å; F15-W20 HydrophobicContact CE2-CZ3 4.42Å; F15-W20 HydrophobicContact CG-CE3 4.18Å; F15-L23 HydrophobicContact CD1-CD1 4.33Å; F15-L23 HydrophobicContact CD2-CD1 3.89Å; F15-L23 HydrophobicContact CE1-CD1 4.22Å; F15-L23 HydrophobicContact CE1-CD2 4.27Å; F15-L23 HydrophobicContact CE2-CD1 3.75Å; F15-L23 HydrophobicContact CG-CD1 4.17Å; F15-L23 HydrophobicContact CZ-CD1 3.93Å; F15-L23 HydrophobicContact CZ-CD2 4.33Å; F15-Y31 AromaticContact CD2-CD2 3.79Å; F15-Y31 HydrophobicContact CD2-CD2 3.79Å; F15-Y31 AromaticContact CD2-CE2 3.71Å; F15-Y31 HydrophobicContact CD2-CE2 3.71Å; F15-Y31 HydrophobicContact CD2-CG 4.45Å; F15-Y31 AromaticContact CE2-CD2 3.4Å; F15-Y31 HydrophobicContact CE2-CD2 3.4Å; F15-Y31 VanDerWaalsContact CE2-CD2 3.4Å; F15-Y31 AromaticContact CE2-CE2 3.74Å; F15-Y31 HydrophobicContact CE2-CE2 3.74Å; F15-Y31 HydrophobicContact CE2-CG 4.14Å
16S83.2Confident83.7Confident45 Ų4586.2 Ų86.232%0.31544%0.443SS..  trans-65163.5159.861.10000110.5E18 E19 W20S16-E18 VanDerWaalsContact C-N 3.25Å; S16-E18 PolarHBondContact O-N 2.57Å; S16-E19 VanDerWaalsContact CB-OE2 3.32Å; S16-E19 WeakPolarHBondContact CB-OE2 3.45Å; S16-E19 PolarHBondContact N-OE2 3.09Å; S16-E19 PolarHBondContact O-N 3.48Å; S16-E19 WeakPolarHBondContact OG-CB 3.43Å; S16-E19 WeakPolarHBondContact OG-CG 3.44Å; S16-E19 PolarHBondContact OG-N 3.23Å; S16-E19 PolarHBondContact OG-OE2 3.45Å; S16-W20 WeakPolarHBondContact O-CB 3.47Å; S16-W20 PolarHBondContact O-N 3.42Å
17Q82.1Confident84.8Confident99 Ų9985.8 Ų85.846%0.46344%0.441SS..Hα-helixtrans-60.4-40.7177.6-174.9175.813.200110.9W20 Q21 W65Q17-W20 PolarHBondContact O-N 2.72Å; Q17-Q21 WeakPolarHBondContact O-CG 3.25Å; Q17-Q21 PolarHBondContact O-N 3.38Å; Q17-Q21 VanDerWaalsContact O-N 3.12Å; Q17-W65 HydrophobicContact CG-CD2 4.48Å; Q17-W65 HydrophobicContact CG-CG 4.09Å
18E84.8Confident85.5Confident123 Ų12385.3 Ų85.358%0.57544%0.435SS*.Hα-helixtrans-64.2-51.5178.7-62.872.7-161.100110.8S16 W20 Q21 W22S16-E18 VanDerWaalsContact C-N 3.25Å; S16-E18 PolarHBondContact O-N 2.57Å; E18-W20 PolarHBondContact O-N 2.94Å; E18-Q21 PolarHBondContact O-N 2.79Å; E18-Q21 VanDerWaalsContact O-N 3.09Å; E18-W22 PolarHBondContact O-N 2.96Å
19E85.4Confident85.7Confident105 Ų10589.5 Ų89.549%0.49146%0.457SS..Hα-helixtrans-58-39.5178-72.8164.2143.900111.7F15 S16 Q21 W22 L23F15-E19 HydrophobicContact CB-CB 4.34Å; F15-E19 HydrophobicContact CD1-CB 4.12Å; S16-E19 VanDerWaalsContact CB-OE2 3.32Å; S16-E19 WeakPolarHBondContact CB-OE2 3.45Å; S16-E19 PolarHBondContact N-OE2 3.09Å; S16-E19 PolarHBondContact O-N 3.48Å; S16-E19 WeakPolarHBondContact OG-CB 3.43Å; S16-E19 WeakPolarHBondContact OG-CG 3.44Å; S16-E19 PolarHBondContact OG-N 3.23Å; S16-E19 PolarHBondContact OG-OE2 3.45Å; E19-Q21 VanDerWaalsContact C-N 3.35Å; E19-Q21 PolarHBondContact O-N 3.33Å; E19-W22 PolarHBondContact O-N 2.81Å; E19-L23 PolarHBondContact O-N 3.09Å
20W86.2Confident86.2Confident8 Ų885.8 Ų85.83%0.0345%0.451CS..Hα-helixtrans-62.6-42.1176.5-174-83.3000112.7F15 S16 Q17 E18 W22 L23 R28 Y31 P64 W65F15-W20 HydrophobicContact CB-CB 4.34Å; F15-W20 HydrophobicContact CB-CE3 4.13Å; F15-W20 AromaticContact CD2-CE3 3.71Å; F15-W20 HydrophobicContact CD2-CE3 3.71Å; F15-W20 AromaticContact CD2-CZ3 3.9Å; F15-W20 HydrophobicContact CD2-CZ3 3.9Å; F15-W20 HydrophobicContact CE2-CZ3 4.42Å; F15-W20 HydrophobicContact CG-CE3 4.18Å; S16-W20 WeakPolarHBondContact O-CB 3.47Å; S16-W20 PolarHBondContact O-N 3.42Å; Q17-W20 PolarHBondContact O-N 2.72Å; E18-W20 PolarHBondContact O-N 2.94Å; W20-W22 PolarHBondContact O-N 2.98Å; W20-L23 HydrophobicContact CD2-CD1 3.93Å; W20-L23 HydrophobicContact CE3-CD1 3.57Å; W20-L23 HydrophobicContact CG-CD1 4.49Å; W20-L23 HydrophobicContact CZ3-CD1 3.98Å; W20-L23 WeakPolarHBondContact O-CB 3.35Å; W20-L23 PolarHBondContact O-N 3.2Å; W20-R28 HydrophobicContact CD2-CG 4.4Å; W20-R28 HydrophobicContact CH2-CB 3.99Å; W20-R28 HydrophobicContact CH2-CG 4.17Å; W20-R28 HydrophobicContact CZ2-CB 3.51Å; W20-R28 HydrophobicContact CZ2-CG 3.47Å; W20-R28 VanDerWaalsContact CZ2-CG 3.47Å; W20-R28 VanDerWaalsContact NE1-CD 3.27Å; W20-R28 PolarHBondContact O-NE 3.25Å; W20-R28 PolarHBondContact O-NH2 2.84Å; W20-R28 VanDerWaalsContact O-NH2 3.13Å; W20-Y31 AromaticContact CH2-CD1 3.34Å; W20-Y31 HydrophobicContact CH2-CD1 3.34Å; W20-Y31 AromaticContact CH2-CE1 3.93Å; W20-Y31 HydrophobicContact CH2-CE1 3.93Å; W20-Y31 AromaticContact CH2-CG 3.87Å; W20-Y31 HydrophobicContact CH2-CG 3.87Å; W20-Y31 AromaticContact CZ3-CD1 3.25Å; W20-Y31 HydrophobicContact CZ3-CD1 3.25Å; W20-Y31 HydrophobicContact CZ3-CD2 4.18Å; W20-Y31 AromaticContact CZ3-CE1 3.58Å; W20-Y31 HydrophobicContact CZ3-CE1 3.58Å; W20-Y31 HydrophobicContact CZ3-CE2 4.44Å; W20-Y31 AromaticContact CZ3-CG 3.53Å; W20-Y31 HydrophobicContact CZ3-CG 3.53Å; W20-P64 HydrophobicContact CH2-CG 4.34Å; W20-P64 HydrophobicContact CZ3-CG 4.43Å; W20-W65 HydrophobicContact CB-CE3 4.03Å; W20-W65 HydrophobicContact CB-CH2 4.01Å; W20-W65 HydrophobicContact CB-CZ2 4.26Å; W20-W65 HydrophobicContact CB-CZ3 3.73Å; W20-W65 AromaticContact CD1-CE2 3.9Å; W20-W65 AromaticContact CD1-CH2 2.9Å; W20-W65 AromaticContact CD1-CZ2 2.92Å; W20-W65 AromaticContact CD1-CZ3 3.56Å; W20-W65 HydrophobicContact CD2-CE3 4.25Å; W20-W65 AromaticContact CD2-CH2 3.1Å; W20-W65 HydrophobicContact CD2-CH2 3.1Å; W20-W65 AromaticContact CD2-CZ2 3.98Å; W20-W65 HydrophobicContact CD2-CZ2 3.98Å; W20-W65 AromaticContact CD2-CZ3 3.13Å; W20-W65 HydrophobicContact CD2-CZ3 3.13Å; W20-W65 AromaticContact CE2-CH2 2.93Å; W20-W65 AromaticContact CE2-CZ2 3.76Å; W20-W65 AromaticContact CE2-CZ3 3.5Å; W20-W65 AromaticContact CE3-CH2 3.97Å; W20-W65 HydrophobicContact CE3-CH2 3.97Å; W20-W65 AromaticContact CE3-CZ3 3.6Å; W20-W65 HydrophobicContact CE3-CZ3 3.6Å; W20-W65 AromaticContact CG-CE3 3.92Å; W20-W65 HydrophobicContact CG-CE3 3.92Å; W20-W65 AromaticContact CG-CH2 3.05Å; W20-W65 HydrophobicContact CG-CH2 3.05Å; W20-W65 AromaticContact CG-CZ2 3.47Å; W20-W65 HydrophobicContact CG-CZ2 3.47Å; W20-W65 VanDerWaalsContact CG-CZ2 3.47Å; W20-W65 AromaticContact CG-CZ3 3.16Å; W20-W65 HydrophobicContact CG-CZ3 3.16Å; W20-W65 HydrophobicContact CH2-CH2 4.37Å; W20-W65 HydrophobicContact CH2-CZ3 4.47Å; W20-W65 AromaticContact CZ2-CH2 3.6Å; W20-W65 HydrophobicContact CZ2-CH2 3.6Å; W20-W65 HydrophobicContact CZ2-CZ3 4.11Å; W20-W65 HydrophobicContact CZ3-CZ3 4.26Å; W20-W65 AromaticContact NE1-CH2 2.83Å; W20-W65 AromaticContact NE1-CZ2 3.12Å; W20-W65 AromaticContact NE1-CZ3 3.75Å
21Q85.7Confident86.6Confident101 Ų10180.4 Ų80.447%0.47242%0.421SS..Hα-helixtrans-60.7-28.9178.7-69.3-53.9-31.200112.1Q17 E18 E19 L23 R28Q17-Q21 WeakPolarHBondContact O-CG 3.25Å; Q17-Q21 PolarHBondContact O-N 3.38Å; Q17-Q21 VanDerWaalsContact O-N 3.12Å; E18-Q21 PolarHBondContact O-N 2.79Å; E18-Q21 VanDerWaalsContact O-N 3.09Å; E19-Q21 VanDerWaalsContact C-N 3.35Å; E19-Q21 PolarHBondContact O-N 3.33Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-R28 PolarHBondContact O-NH2 3.12Å
22W87.3Confident86.9Confident223 Ų22380.9 Ų80.985%0.84541%0.414SS*.Hα-helixtrans-77.8-12.7174.7-67.4109.5000114.6E18 E19 W20E18-W22 PolarHBondContact O-N 2.96Å; E19-W22 PolarHBondContact O-N 2.81Å; W20-W22 PolarHBondContact O-N 2.98Å
23L86.3Confident86.9Confident25 Ų2584.7 Ų84.713%0.13143%0.432CS..SBendtrans-72.6132.9177.7-63.7179.8000111.5F15 E19 W20 Q21 Q27 R28F15-L23 HydrophobicContact CD1-CD1 4.33Å; F15-L23 HydrophobicContact CD2-CD1 3.89Å; F15-L23 HydrophobicContact CE1-CD1 4.22Å; F15-L23 HydrophobicContact CE1-CD2 4.27Å; F15-L23 HydrophobicContact CE2-CD1 3.75Å; F15-L23 HydrophobicContact CG-CD1 4.17Å; F15-L23 HydrophobicContact CZ-CD1 3.93Å; F15-L23 HydrophobicContact CZ-CD2 4.33Å; E19-L23 PolarHBondContact O-N 3.09Å; W20-L23 HydrophobicContact CD2-CD1 3.93Å; W20-L23 HydrophobicContact CE3-CD1 3.57Å; W20-L23 HydrophobicContact CG-CD1 4.49Å; W20-L23 HydrophobicContact CZ3-CD1 3.98Å; W20-L23 WeakPolarHBondContact O-CB 3.35Å; W20-L23 PolarHBondContact O-N 3.2Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; L23-Q27 HydrophobicContact CB-CB 4.22Å; L23-Q27 HydrophobicContact CD2-CB 4.27Å; L23-R28 HydrophobicContact CB-CG 3.78Å; L23-R28 HydrophobicContact CD1-CG 4.43Å; L23-R28 PolarHBondContact O-NE 3.47Å; L23-R28 PolarHBondContact O-NH2 3.16Å
24A91.3Very high87.2Confident47 Ų4782.9 Ų82.939%0.38843%0.425SS..  trans-65152.6169.800000110.6A26 Q27 R28A24-A26 VanDerWaalsContact C-N 3.29Å; A24-A26 PolarHBondContact O-N 3.22Å; A24-Q27 HydrophobicContact CB-CG 4.35Å; A24-Q27 WeakPolarHBondContact O-CA 3.44Å; A24-Q27 WeakPolarHBondContact O-CB 3.31Å; A24-Q27 PolarHBondContact O-N 2.85Å; A24-R28 PolarHBondContact O-N 3.43Å; A24-R28 VanDerWaalsContact O-N 3.13Å
25P89.4Confident87.5Confident99 Ų9977.5 Ų77.564%0.64339%0.392SS*.Hα-helixtrans-49.9-45.8179.9-29.735.9000113.9Q27 R28 D29P25-Q27 VanDerWaalsContact C-N 3.25Å; P25-Q27 PolarHBondContact O-N 3.37Å; P25-R28 WeakPolarHBondContact O-CB 3.27Å; P25-R28 PolarHBondContact O-N 3.36Å; P25-D29 PolarHBondContact O-N 2.87Å
26A89.9Confident87.7Confident74 Ų7476.4 Ų76.461%0.61239%0.389SS*.Hα-helixtrans-61.3-30.6177.700000113.7A24 L30A24-A26 VanDerWaalsContact C-N 3.29Å; A24-A26 PolarHBondContact O-N 3.22Å; A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 PolarHBondContact O-N 2.96Å
27Q86.4Confident88Confident100 Ų10079.9 Ų79.947%0.46740%0.401SS..Hα-helixtrans-75-33.8175.6-65.3176.4-4800111.7L23 A24 P25 L30 Y31L23-Q27 HydrophobicContact CB-CB 4.22Å; L23-Q27 HydrophobicContact CD2-CB 4.27Å; A24-Q27 HydrophobicContact CB-CG 4.35Å; A24-Q27 WeakPolarHBondContact O-CA 3.44Å; A24-Q27 WeakPolarHBondContact O-CB 3.31Å; A24-Q27 PolarHBondContact O-N 2.85Å; P25-Q27 VanDerWaalsContact C-N 3.25Å; P25-Q27 PolarHBondContact O-N 3.37Å; Q27-L30 PolarHBondContact O-N 3Å; Q27-Y31 WeakPolarHBondContact O-CB 3.46Å; Q27-Y31 PolarHBondContact O-N 3.39Å
28R89.9Confident88.3Confident54 Ų5476.7 Ų76.720%0.20439%0.388CS..Hα-helixtrans-67.6-39.9174.5-61.1179.6-177-166.81.9111.1W20 Q21 L23 A24 P25 Y31 R32 E63W20-R28 HydrophobicContact CD2-CG 4.4Å; W20-R28 HydrophobicContact CH2-CB 3.99Å; W20-R28 HydrophobicContact CH2-CG 4.17Å; W20-R28 HydrophobicContact CZ2-CB 3.51Å; W20-R28 HydrophobicContact CZ2-CG 3.47Å; W20-R28 VanDerWaalsContact CZ2-CG 3.47Å; W20-R28 VanDerWaalsContact NE1-CD 3.27Å; W20-R28 PolarHBondContact O-NE 3.25Å; W20-R28 PolarHBondContact O-NH2 2.84Å; W20-R28 VanDerWaalsContact O-NH2 3.13Å; Q21-R28 PolarHBondContact O-NH2 3.12Å; L23-R28 HydrophobicContact CB-CG 3.78Å; L23-R28 HydrophobicContact CD1-CG 4.43Å; L23-R28 PolarHBondContact O-NE 3.47Å; L23-R28 PolarHBondContact O-NH2 3.16Å; A24-R28 PolarHBondContact O-N 3.43Å; A24-R28 VanDerWaalsContact O-N 3.13Å; P25-R28 WeakPolarHBondContact O-CB 3.27Å; P25-R28 PolarHBondContact O-N 3.36Å; R28-Y31 WeakPolarHBondContact O-CB 3.31Å; R28-Y31 PolarHBondContact O-N 3.36Å; R28-R32 PolarHBondContact O-N 3.18Å; R28-E63 IonicContact NH1-OE1 3.21Å; R28-E63 PolarHBondContact NH1-OE1 3.43Å
29D86.9Confident88.5Confident95 Ų9572.6 Ų72.651%0.50837%0.367SS..Hα-helixtrans-63.3-48.3173.5-67.7-25.3000110.6P25 Y31 R32 D33P25-D29 PolarHBondContact O-N 2.87Å; D29-Y31 VanDerWaalsContact C-N 3.3Å; D29-Y31 PolarHBondContact O-N 3.02Å; D29-R32 VanDerWaalsContact O-CB 3.32Å; D29-R32 WeakPolarHBondContact O-CB 3.47Å; D29-R32 PolarHBondContact O-N 3.27Å; D29-R32 VanDerWaalsContact O-N 3.09Å; D29-D33 PolarHBondContact O-N 3.38Å
30L90.6Very high88.6Confident107 Ų10770.5 Ų70.556%0.5636%0.364SS*.Hα-helixtrans-59-41.9175.8179.763000112.3A26 Q27 R32 D33 V34A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 PolarHBondContact O-N 2.96Å; Q27-L30 PolarHBondContact O-N 3Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.03Å; L30-D33 PolarHBondContact O-N 2.97Å; L30-V34 HydrophobicContact CD1-CG2 3.99Å; L30-V34 HydrophobicContact CG-CG2 4.28Å; L30-V34 WeakPolarHBondContact O-CB 3.43Å; L30-V34 VanDerWaalsContact O-CG2 3.3Å; L30-V34 WeakPolarHBondContact O-CG2 3.44Å; L30-V34 PolarHBondContact O-N 3.02Å
31Y91.6Very high88.7Confident19 Ų1974 Ų748%0.07538%0.384CS..Hα-helixtrans-57.9-46.7175173.6-96.2000111.6I13 F15 W20 Q27 R28 D29 D33 V34 M35 L58 P64I13-Y31 HydrophobicContact CB-CE2 4.2Å; I13-Y31 HydrophobicContact CG2-CE2 4.36Å; I13-Y31 WeakPolarHBondContact O-CE2 3.04Å; I13-Y31 PolarHBondContact O-OH 3.35Å; F15-Y31 AromaticContact CD2-CD2 3.79Å; F15-Y31 HydrophobicContact CD2-CD2 3.79Å; F15-Y31 AromaticContact CD2-CE2 3.71Å; F15-Y31 HydrophobicContact CD2-CE2 3.71Å; F15-Y31 HydrophobicContact CD2-CG 4.45Å; F15-Y31 AromaticContact CE2-CD2 3.4Å; F15-Y31 HydrophobicContact CE2-CD2 3.4Å; F15-Y31 VanDerWaalsContact CE2-CD2 3.4Å; F15-Y31 AromaticContact CE2-CE2 3.74Å; F15-Y31 HydrophobicContact CE2-CE2 3.74Å; F15-Y31 HydrophobicContact CE2-CG 4.14Å; W20-Y31 AromaticContact CH2-CD1 3.34Å; W20-Y31 HydrophobicContact CH2-CD1 3.34Å; W20-Y31 AromaticContact CH2-CE1 3.93Å; W20-Y31 HydrophobicContact CH2-CE1 3.93Å; W20-Y31 AromaticContact CH2-CG 3.87Å; W20-Y31 HydrophobicContact CH2-CG 3.87Å; W20-Y31 AromaticContact CZ3-CD1 3.25Å; W20-Y31 HydrophobicContact CZ3-CD1 3.25Å; W20-Y31 HydrophobicContact CZ3-CD2 4.18Å; W20-Y31 AromaticContact CZ3-CE1 3.58Å; W20-Y31 HydrophobicContact CZ3-CE1 3.58Å; W20-Y31 HydrophobicContact CZ3-CE2 4.44Å; W20-Y31 AromaticContact CZ3-CG 3.53Å; W20-Y31 HydrophobicContact CZ3-CG 3.53Å; Q27-Y31 WeakPolarHBondContact O-CB 3.46Å; Q27-Y31 PolarHBondContact O-N 3.39Å; R28-Y31 WeakPolarHBondContact O-CB 3.31Å; R28-Y31 PolarHBondContact O-N 3.36Å; D29-Y31 VanDerWaalsContact C-N 3.3Å; D29-Y31 PolarHBondContact O-N 3.02Å; Y31-D33 VanDerWaalsContact C-N 3.31Å; Y31-D33 PolarHBondContact O-N 3.12Å; Y31-V34 PolarHBondContact O-N 3.28Å; Y31-M35 HydrophobicContact CD1-CG 4.07Å; Y31-M35 HydrophobicContact CD2-CG 3.75Å; Y31-M35 HydrophobicContact CE1-CG 3.78Å; Y31-M35 HydrophobicContact CE2-CG 3.44Å; Y31-M35 VanDerWaalsContact CE2-CG 3.44Å; Y31-M35 HydrophobicContact CE2-SD 3.94Å; Y31-M35 HydrophobicContact CG-CG 4.11Å; Y31-M35 VanDerWaalsContact CZ-CG 3.47Å; Y31-M35 VanDerWaalsContact O-CB 3.3Å; Y31-M35 WeakPolarHBondContact O-CB 3.33Å; Y31-M35 WeakPolarHBondContact O-CG 3.44Å; Y31-M35 PolarHBondContact O-N 3.46Å; Y31-L58 HydrophobicContact CD1-CD1 4.28Å; Y31-L58 HydrophobicContact CD1-CD2 4.21Å; Y31-L58 HydrophobicContact CE1-CD1 3.86Å; Y31-L58 HydrophobicContact CE1-CD2 4.18Å; Y31-P64 HydrophobicContact CE1-CG 3.88Å
32R89.8Confident88.7Confident86 Ų8670 Ų7033%0.32537%0.366SS..Hα-helixtrans-55.7-50.2178.2-179.8-176.1-172-164.6-1.6110.5R28 D29 L30 M35 L36 L58 E59R28-R32 PolarHBondContact O-N 3.18Å; D29-R32 VanDerWaalsContact O-CB 3.32Å; D29-R32 WeakPolarHBondContact O-CB 3.47Å; D29-R32 PolarHBondContact O-N 3.27Å; D29-R32 VanDerWaalsContact O-N 3.09Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.03Å; R32-M35 PolarHBondContact O-N 3.41Å; R32-L36 HydrophobicContact CG-CD1 3.88Å; R32-L36 WeakPolarHBondContact O-CB 3.26Å; R32-L36 VanDerWaalsContact O-CG 3.25Å; R32-L36 WeakPolarHBondContact O-CG 3.32Å; R32-L36 PolarHBondContact O-N 2.77Å; R32-L58 HydrophobicContact CB-CD2 4.09Å; R32-L58 HydrophobicContact CG-CB 4.21Å; R32-L58 HydrophobicContact CG-CD2 4.08Å; R32-L58 VanDerWaalsContact CZ-O 3.25Å; R32-L58 PolarHBondContact NE-O 3.29Å; R32-L58 PolarHBondContact NH2-O 3.35Å; R32-E59 PolarHBondContact NH2-O 3.38Å
33D86.9Confident88.4Confident99 Ų9962.8 Ų62.853%0.52935%0.346SS..Hα-helixtrans-61.8-50.9-178-66.7-15.5000111.3D29 L30 Y31 M35 L36 E37D29-D33 PolarHBondContact O-N 3.38Å; L30-D33 PolarHBondContact O-N 2.97Å; Y31-D33 VanDerWaalsContact C-N 3.31Å; Y31-D33 PolarHBondContact O-N 3.12Å; D33-M35 VanDerWaalsContact C-N 3.33Å; D33-M35 PolarHBondContact O-N 3.49Å; D33-L36 PolarHBondContact O-N 3.12Å; D33-E37 WeakPolarHBondContact O-CB 3.43Å; D33-E37 PolarHBondContact O-N 3.33Å
34V89.7Confident88.3Confident52 Ų5266 Ų6632%0.31537%0.37SS..Hα-helixtrans-60.2-42.2-179.71700000111.6L30 Y31 T38L30-V34 HydrophobicContact CD1-CG2 3.99Å; L30-V34 HydrophobicContact CG-CG2 4.28Å; L30-V34 WeakPolarHBondContact O-CB 3.43Å; L30-V34 VanDerWaalsContact O-CG2 3.3Å; L30-V34 WeakPolarHBondContact O-CG2 3.44Å; L30-V34 PolarHBondContact O-N 3.02Å; Y31-V34 PolarHBondContact O-N 3.28Å; V34-T38 VanDerWaalsContact O-CB 3.27Å; V34-T38 WeakPolarHBondContact O-CB 3.16Å; V34-T38 PolarHBondContact O-N 2.96Å; V34-T38 PolarHBondContact O-OG1 3.06Å
35M91.4Very high88Confident1 Ų170 Ų701%0.00538%0.384CS..Hα-helixtrans-71.9-39.1-177.6-70.1-52.3-68.700112.6F8 A12 I13 Y31 R32 D33 T38 Y39 I55 L58F8-M35 HydrophobicContact CE1-CE 3.79Å; F8-M35 HydrophobicContact CE2-CE 4.29Å; F8-M35 HydrophobicContact CZ-CE 3.37Å; A12-M35 HydrophobicContact CB-CE 3.41Å; A12-M35 VanDerWaalsContact CB-CE 3.41Å; I13-M35 HydrophobicContact CB-SD 4.37Å; Y31-M35 HydrophobicContact CD1-CG 4.07Å; Y31-M35 HydrophobicContact CD2-CG 3.75Å; Y31-M35 HydrophobicContact CE1-CG 3.78Å; Y31-M35 HydrophobicContact CE2-CG 3.44Å; Y31-M35 VanDerWaalsContact CE2-CG 3.44Å; Y31-M35 HydrophobicContact CE2-SD 3.94Å; Y31-M35 HydrophobicContact CG-CG 4.11Å; Y31-M35 VanDerWaalsContact CZ-CG 3.47Å; Y31-M35 VanDerWaalsContact O-CB 3.3Å; Y31-M35 WeakPolarHBondContact O-CB 3.33Å; Y31-M35 WeakPolarHBondContact O-CG 3.44Å; Y31-M35 PolarHBondContact O-N 3.46Å; R32-M35 PolarHBondContact O-N 3.41Å; D33-M35 VanDerWaalsContact C-N 3.33Å; D33-M35 PolarHBondContact O-N 3.49Å; M35-T38 PolarHBondContact O-N 3.18Å; M35-Y39 PolarHBondContact O-N 3.31Å; M35-I55 HydrophobicContact CB-CD1 4.28Å; M35-I55 VanDerWaalsContact O-CD1 3.31Å; M35-I55 WeakPolarHBondContact O-CD1 3.4Å; M35-L58 HydrophobicContact CB-CD1 3.65Å; M35-L58 HydrophobicContact CG-CD1 4.32Å
36L87.2Confident87.2Confident42 Ų4268.4 Ų68.422%0.2239%0.387CS..Hα-helixtrans-66.6-43.2174.8-69.6176.1000111.3R32 D33 Y39 S40 I55 L58 E59R32-L36 HydrophobicContact CG-CD1 3.88Å; R32-L36 WeakPolarHBondContact O-CB 3.26Å; R32-L36 VanDerWaalsContact O-CG 3.25Å; R32-L36 WeakPolarHBondContact O-CG 3.32Å; R32-L36 PolarHBondContact O-N 2.77Å; D33-L36 PolarHBondContact O-N 3.12Å; L36-Y39 PolarHBondContact O-N 3.32Å; L36-S40 PolarHBondContact O-N 3.07Å; L36-I55 HydrophobicContact CD2-CD1 4.46Å; L36-I55 HydrophobicContact CD2-CG2 4.11Å; L36-L58 HydrophobicContact CD2-CB 4.06Å; L36-L58 HydrophobicContact CG-CB 4.29Å; L36-E59 HydrophobicContact CD2-CG 3.61Å
37E89.3Confident86.6Confident119 Ų11968 Ų6856%0.55637%0.374SS*.Hα-helixtrans-62.1-43.8175.5-176176.7-172.700111.2D33 Y39 S40 N41D33-E37 WeakPolarHBondContact O-CB 3.43Å; D33-E37 PolarHBondContact O-N 3.33Å; E37-Y39 VanDerWaalsContact C-N 3.34Å; E37-Y39 PolarHBondContact O-N 2.7Å; E37-S40 PolarHBondContact O-N 3.2Å; E37-N41 WeakPolarHBondContact O-CB 3.19Å; E37-N41 PolarHBondContact O-N 3.34Å; E37-N41 PolarHBondContact O-ND2 3.03Å
38T88.7Confident85.7Confident31 Ų3167.6 Ų67.619%0.1939%0.387CS..Hα-helixtrans-58.7-45.6176.8-61.90000111.3V11 V34 M35 N41 L42V11-T38 HydrophobicContact CB-CG2 4.22Å; V11-T38 HydrophobicContact CG2-CG2 3.46Å; V11-T38 VanDerWaalsContact CG2-CG2 3.46Å; V34-T38 VanDerWaalsContact O-CB 3.27Å; V34-T38 WeakPolarHBondContact O-CB 3.16Å; V34-T38 PolarHBondContact O-N 2.96Å; V34-T38 PolarHBondContact O-OG1 3.06Å; M35-T38 PolarHBondContact O-N 3.18Å; T38-N41 PolarHBondContact O-N 3.04Å; T38-L42 HydrophobicContact CG2-CD1 4.38Å; T38-L42 VanDerWaalsContact O-CG 3.3Å; T38-L42 WeakPolarHBondContact O-CG 3.3Å; T38-L42 PolarHBondContact O-N 3.35Å; T38-L42 VanDerWaalsContact O-N 3.09Å
39Y88.5Confident84.9Confident37 Ų3765.7 Ų65.715%0.14538%0.382CS..Hα-helixtrans-62.3-47175.9178.7-107.3000112.1F8 M35 L36 E37 N41 L42 V43 V49 K51 I55F8-Y39 HydrophobicContact CD2-CD2 4.31Å; F8-Y39 HydrophobicContact CE2-CD2 4.38Å; M35-Y39 PolarHBondContact O-N 3.31Å; L36-Y39 PolarHBondContact O-N 3.32Å; E37-Y39 VanDerWaalsContact C-N 3.34Å; E37-Y39 PolarHBondContact O-N 2.7Å; Y39-N41 VanDerWaalsContact C-N 3.3Å; Y39-N41 PolarHBondContact O-N 3.09Å; Y39-L42 PolarHBondContact O-N 3.43Å; Y39-V43 HydrophobicContact CD1-CG2 4.39Å; Y39-V43 HydrophobicContact CD2-CG2 4.49Å; Y39-V43 HydrophobicContact CE1-CG2 3.92Å; Y39-V43 HydrophobicContact CE2-CG2 4.01Å; Y39-V43 WeakPolarHBondContact O-CG2 3.27Å; Y39-V43 PolarHBondContact O-N 2.93Å; Y39-V49 HydrophobicContact CD2-CG1 4.26Å; Y39-V49 HydrophobicContact CE2-CB 4.46Å; Y39-V49 HydrophobicContact CE2-CG1 3.96Å; Y39-K51 HydrophobicContact CE1-CD 4.46Å; Y39-K51 HydrophobicContact CE1-CG 4.38Å; Y39-K51 HydrophobicContact CE2-CB 4.43Å; Y39-K51 HydrophobicContact CE2-CG 4.5Å; Y39-K51 WeakPolarHBondContact OH-CB 3.47Å; Y39-I55 HydrophobicContact CD1-CG2 3.73Å; Y39-I55 HydrophobicContact CD2-CG1 4.19Å; Y39-I55 HydrophobicContact CE1-CG2 4.18Å; Y39-I55 HydrophobicContact CG-CD1 4.39Å; Y39-I55 HydrophobicContact CG-CG1 4Å; Y39-I55 HydrophobicContact CG-CG2 3.91Å
40S87.5Confident84.7Confident62 Ų6263.2 Ų63.243%0.43437%0.372SS..Hα-helixtrans-58.9-41.1178.2-1770000112.3L36 E37 V43 S44L36-S40 PolarHBondContact O-N 3.07Å; E37-S40 PolarHBondContact O-N 3.2Å; S40-V43 PolarHBondContact O-N 3.48Å; S40-S44 VanDerWaalsContact O-CB 3.31Å; S40-S44 WeakPolarHBondContact O-CB 3.32Å; S40-S44 PolarHBondContact O-N 3.02Å; S40-S44 PolarHBondContact O-OG 3.36Å
41N88.4Confident84.4Confident81 Ų8162.8 Ų62.843%0.43337%0.366SS..Hα-helixtrans-64.3-43.2177.5-72.6-20000111.4E37 T38 Y39 V43 S44 L45E37-N41 WeakPolarHBondContact O-CB 3.19Å; E37-N41 PolarHBondContact O-N 3.34Å; E37-N41 PolarHBondContact O-ND2 3.03Å; T38-N41 PolarHBondContact O-N 3.04Å; Y39-N41 VanDerWaalsContact C-N 3.3Å; Y39-N41 PolarHBondContact O-N 3.09Å; N41-V43 PolarHBondContact O-N 3.41Å; N41-S44 PolarHBondContact O-N 2.95Å; N41-L45 VanDerWaalsContact O-CG 3.27Å; N41-L45 WeakPolarHBondContact O-CG 3.38Å; N41-L45 PolarHBondContact O-N 3.42Å
42L85.3Confident84.1Confident18 Ų1862.9 Ų62.99%0.09437%0.368CS..Hα-helixtrans-62.4-42.3176.5-68.3169000112.2F8 V11 T38 Y39 S44 L45 L47 V49F8-L42 HydrophobicContact CB-CD1 4.23Å; F8-L42 HydrophobicContact CD2-CD1 3.71Å; F8-L42 HydrophobicContact CG-CD1 4.45Å; V11-L42 HydrophobicContact CG2-CD1 3.95Å; T38-L42 HydrophobicContact CG2-CD1 4.38Å; T38-L42 VanDerWaalsContact O-CG 3.3Å; T38-L42 WeakPolarHBondContact O-CG 3.3Å; T38-L42 PolarHBondContact O-N 3.35Å; T38-L42 VanDerWaalsContact O-N 3.09Å; Y39-L42 PolarHBondContact O-N 3.43Å; L42-S44 VanDerWaalsContact C-N 3.35Å; L42-L45 PolarHBondContact O-N 3.33Å; L42-L47 HydrophobicContact CB-CD1 4.45Å; L42-L47 HydrophobicContact CD2-CD1 3.66Å; L42-L47 WeakPolarHBondContact O-CB 3.3Å; L42-L47 PolarHBondContact O-N 2.69Å; L42-V49 HydrophobicContact CB-CG2 3.99Å
43V82.4Confident83.8Confident70 Ų7064.3 Ų64.342%0.42438%0.382SS..Hα-helixtrans-63.6-42.8175.31740000110.8Y39 S40 N41 L45 G46Y39-V43 HydrophobicContact CD1-CG2 4.39Å; Y39-V43 HydrophobicContact CD2-CG2 4.49Å; Y39-V43 HydrophobicContact CE1-CG2 3.92Å; Y39-V43 HydrophobicContact CE2-CG2 4.01Å; Y39-V43 WeakPolarHBondContact O-CG2 3.27Å; Y39-V43 PolarHBondContact O-N 2.93Å; S40-V43 PolarHBondContact O-N 3.48Å; N41-V43 PolarHBondContact O-N 3.41Å; V43-L45 VanDerWaalsContact C-N 3.27Å; V43-L45 PolarHBondContact O-N 3.02Å; V43-G46 WeakPolarHBondContact O-CA 3.21Å; V43-G46 PolarHBondContact O-N 3.43Å
44S83.6Confident83.8Confident93 Ų9361.1 Ų61.165%0.6537%0.367SS*.Hα-helixtrans-65.8-28.7180-62.30000113.1S40 N41 L42 G46S40-S44 VanDerWaalsContact O-CB 3.31Å; S40-S44 WeakPolarHBondContact O-CB 3.32Å; S40-S44 PolarHBondContact O-N 3.02Å; S40-S44 PolarHBondContact O-OG 3.36Å; N41-S44 PolarHBondContact O-N 2.95Å; L42-S44 VanDerWaalsContact C-N 3.35Å; S44-G46 PolarHBondContact O-N 2.92Å
45L83.8Confident83.7Confident130 Ų13058.7 Ų58.768%0.68135%0.352SS*.THydrogen-bonded Turntrans-722.2171.1-69.5170.9000113.2N41 L42 V43 L47N41-L45 VanDerWaalsContact O-CG 3.27Å; N41-L45 WeakPolarHBondContact O-CG 3.38Å; N41-L45 PolarHBondContact O-N 3.42Å; L42-L45 PolarHBondContact O-N 3.33Å; V43-L45 VanDerWaalsContact C-N 3.27Å; V43-L45 PolarHBondContact O-N 3.02Å; L45-L47 HydrophobicContact CB-CD1 4.23Å; L45-L47 HydrophobicContact CB-CG 4.08Å; L45-L47 HydrophobicContact CD1-CD1 4.44Å; L45-L47 PolarHBondContact O-N 2.89Å
46G74.1Confident83.5Confident67 Ų6760.4 Ų60.469%0.69136%0.364SS*.THydrogen-bonded Turntrans71.216.2-178.200000113.1V43 S44 A48V43-G46 WeakPolarHBondContact O-CA 3.21Å; V43-G46 PolarHBondContact O-N 3.43Å; S44-G46 PolarHBondContact O-N 2.92Å; G46-A48 PolarHBondContact O-N 3.46Å
47L76.6Confident83.6Confident65 Ų6560.2 Ų60.234%0.3436%0.361SS..  trans-75.1127.1175.5-58.9171.8000108.2L7 L42 L45 V49L7-L47 HydrophobicContact CD1-CD1 4.31Å; L7-L47 HydrophobicContact CD1-CD2 4.34Å; L42-L47 HydrophobicContact CB-CD1 4.45Å; L42-L47 HydrophobicContact CD2-CD1 3.66Å; L42-L47 WeakPolarHBondContact O-CB 3.3Å; L42-L47 PolarHBondContact O-N 2.69Å; L45-L47 HydrophobicContact CB-CD1 4.23Å; L45-L47 HydrophobicContact CB-CG 4.08Å; L45-L47 HydrophobicContact CD1-CD1 4.44Å; L45-L47 PolarHBondContact O-N 2.89Å; L47-V49 HydrophobicContact CB-CG2 3.75Å; L47-V49 PolarHBondContact O-N 3.49Å
48A67.5Low83.5Confident91 Ų9154.8 Ų54.875%0.75234%0.336SS*.  trans-72.771.1175.300000110.3G4 G46G4-A48 VanDerWaalsContact CA-O 3.26Å; G4-A48 WeakPolarHBondContact CA-O 3.44Å; G46-A48 PolarHBondContact O-N 3.46Å
49V73.6Confident83.5Confident14 Ų1457.5 Ų57.59%0.08535%0.347CS..  trans-89.3113.9179.5-178.30000109.8G4 F8 Y39 L42 L47 K51G4-V49 WeakPolarHBondContact O-CG1 3.21Å; F8-V49 HydrophobicContact CB-CG1 4.17Å; Y39-V49 HydrophobicContact CD2-CG1 4.26Å; Y39-V49 HydrophobicContact CE2-CB 4.46Å; Y39-V49 HydrophobicContact CE2-CG1 3.96Å; L42-V49 HydrophobicContact CB-CG2 3.99Å; L47-V49 HydrophobicContact CB-CG2 3.75Å; L47-V49 PolarHBondContact O-N 3.49Å; V49-K51 PolarHBondContact O-N 3.21Å
50S82.6Confident83.2Confident44 Ų4460.5 Ų60.531%0.30836%0.362SS..PPolyproline II helixtrans-62133167.928.60000109.8S2 S5 P52S2-S50 PolarHBondContact OG-OG 3.34Å; S5-S50 PolarHBondContact OG-OG 3.4Å; S50-P52 WeakPolarHBondContact O-CD 3.46Å
51K84.4Confident83Confident98 Ų9860 Ų6043%0.42637%0.367SS..PPolyproline II helixtrans-61.5116-177.7-171.6161.6173.3163.50110.9Y39 V49 I55 E59Y39-K51 HydrophobicContact CE1-CD 4.46Å; Y39-K51 HydrophobicContact CE1-CG 4.38Å; Y39-K51 HydrophobicContact CE2-CB 4.43Å; Y39-K51 HydrophobicContact CE2-CG 4.5Å; Y39-K51 WeakPolarHBondContact OH-CB 3.47Å; V49-K51 PolarHBondContact O-N 3.21Å; K51-I55 HydrophobicContact CG-CB 4.45Å; K51-I55 HydrophobicContact CG-CG2 4.21Å; K51-E59 VanDerWaalsContact CE-OE1 3.26Å; K51-E59 WeakPolarHBondContact CE-OE1 3.45Å; K51-E59 VanDerWaalsContact CE-OE2 3.28Å; K51-E59 WeakPolarHBondContact CE-OE2 3.21Å; K51-E59 IonicContact NZ-OE1 2.72Å; K51-E59 PolarHBondContact NZ-OE1 2.99Å; K51-E59 IonicContact NZ-OE2 2.57Å; K51-E59 PolarHBondContact NZ-OE2 3.3Å
52P84.3Confident82.7Confident20 Ų2060.4 Ų60.413%0.1337%0.365CS..PPolyproline II helixtrans-70.5149.9179.1-18.131.7000112.3F8 S50 V54 I55 S56F8-P52 HydrophobicContact CB-CG 4.25Å; F8-P52 HydrophobicContact CD1-CB 4.09Å; F8-P52 HydrophobicContact CD1-CG 3.46Å; F8-P52 VanDerWaalsContact CD1-CG 3.46Å; F8-P52 HydrophobicContact CD2-CG 4.04Å; F8-P52 HydrophobicContact CE1-CB 4.05Å; F8-P52 HydrophobicContact CE1-CG 3.7Å; F8-P52 HydrophobicContact CE2-CG 4.29Å; F8-P52 HydrophobicContact CG-CG 3.63Å; F8-P52 HydrophobicContact CZ-CG 4.11Å; S50-P52 WeakPolarHBondContact O-CD 3.46Å; P52-V54 VanDerWaalsContact C-N 3.26Å; P52-V54 HydrophobicContact CB-CG1 3.87Å; P52-V54 PolarHBondContact O-N 3.06Å; P52-I55 HydrophobicContact CB-CG1 4.19Å; P52-I55 HydrophobicContact CG-CG1 3.98Å; P52-I55 WeakPolarHBondContact O-CB 3.49Å; P52-I55 PolarHBondContact O-N 3.42Å; P52-S56 PolarHBondContact O-N 3.49Å; P52-S56 VanDerWaalsContact O-N 3.12Å
53D84.9Confident82.4Confident116 Ų11662.8 Ų62.862%0.6238%0.375SS*.Hα-helixtrans-57.9-39177.3-63.9-38.5000112.1I55 S56 F57D53-I55 VanDerWaalsContact C-N 3.28Å; D53-I55 PolarHBondContact O-N 3.15Å; D53-S56 WeakPolarHBondContact O-CB 3.44Å; D53-S56 PolarHBondContact O-N 3.05Å; D53-S56 VanDerWaalsContact O-N 3.12Å; D53-F57 HydrophobicContact CB-CE2 3.86Å; D53-F57 HydrophobicContact CB-CZ 4.46Å; D53-F57 WeakPolarHBondContact O-CD2 3.37Å; D53-F57 WeakPolarHBondContact O-CE2 3.04Å; D53-F57 WeakPolarHBondContact O-CG 3.38Å; D53-F57 PolarHBondContact O-N 3.29Å
54V85Confident81.9Confident33 Ų3360.5 Ų60.520%0.236%0.362CS..Hα-helixtrans-56.9-41.217559.80000112.1F8 P52 F57 L58 P64F8-V54 HydrophobicContact CE1-CG1 3.84Å; F8-V54 HydrophobicContact CZ-CG1 4.3Å; P52-V54 VanDerWaalsContact C-N 3.26Å; P52-V54 HydrophobicContact CB-CG1 3.87Å; P52-V54 PolarHBondContact O-N 3.06Å; V54-F57 PolarHBondContact O-N 3.37Å; V54-L58 HydrophobicContact CG2-CD1 3.97Å; V54-L58 HydrophobicContact CG2-CG 4.35Å; V54-L58 WeakPolarHBondContact O-CB 3.47Å; V54-L58 WeakPolarHBondContact O-CG 3.43Å; V54-L58 PolarHBondContact O-N 3.32Å; V54-P64 HydrophobicContact CG2-CB 3.91Å; V54-P64 HydrophobicContact CG2-CG 4.05Å
55I88.9Confident81.2Confident0 Ų058.5 Ų58.50%034%0.34CS..Hα-helixtrans-66.8-43.1177-64.3-56.2000110.4F8 M35 L36 Y39 K51 P52 D53 F57 L58 E59F8-I55 HydrophobicContact CE1-CG1 4.39Å; F8-I55 HydrophobicContact CE2-CD1 3.84Å; F8-I55 HydrophobicContact CE2-CG1 3.92Å; F8-I55 HydrophobicContact CZ-CD1 3.52Å; F8-I55 HydrophobicContact CZ-CG1 3.63Å; M35-I55 HydrophobicContact CB-CD1 4.28Å; M35-I55 VanDerWaalsContact O-CD1 3.31Å; M35-I55 WeakPolarHBondContact O-CD1 3.4Å; L36-I55 HydrophobicContact CD2-CD1 4.46Å; L36-I55 HydrophobicContact CD2-CG2 4.11Å; Y39-I55 HydrophobicContact CD1-CG2 3.73Å; Y39-I55 HydrophobicContact CD2-CG1 4.19Å; Y39-I55 HydrophobicContact CE1-CG2 4.18Å; Y39-I55 HydrophobicContact CG-CD1 4.39Å; Y39-I55 HydrophobicContact CG-CG1 4Å; Y39-I55 HydrophobicContact CG-CG2 3.91Å; K51-I55 HydrophobicContact CG-CB 4.45Å; K51-I55 HydrophobicContact CG-CG2 4.21Å; P52-I55 HydrophobicContact CB-CG1 4.19Å; P52-I55 HydrophobicContact CG-CG1 3.98Å; P52-I55 WeakPolarHBondContact O-CB 3.49Å; P52-I55 PolarHBondContact O-N 3.42Å; D53-I55 VanDerWaalsContact C-N 3.28Å; D53-I55 PolarHBondContact O-N 3.15Å; I55-F57 VanDerWaalsContact C-N 3.3Å; I55-F57 PolarHBondContact O-N 3.1Å; I55-L58 PolarHBondContact O-N 3.35Å; I55-E59 WeakPolarHBondContact O-CG 3.3Å; I55-E59 PolarHBondContact O-N 3.5Å
56S87.8Confident80Confident38 Ų3856.9 Ų56.927%0.26633%0.33SS..Hα-helixtrans-57.6-41.1176.2-173.90000112.5P52 D53 Q60P52-S56 PolarHBondContact O-N 3.49Å; P52-S56 VanDerWaalsContact O-N 3.12Å; D53-S56 WeakPolarHBondContact O-CB 3.44Å; D53-S56 PolarHBondContact O-N 3.05Å; D53-S56 VanDerWaalsContact O-N 3.12Å; S56-Q60 VanDerWaalsContact O-CG 3.3Å; S56-Q60 WeakPolarHBondContact O-CG 3.34Å; S56-Q60 PolarHBondContact O-N 3.04Å; S56-Q60 PolarHBondContact O-NE2 3.04Å; S56-Q60 VanDerWaalsContact O-NE2 3.09Å; S56-Q60 PolarHBondContact OG-NE2 3.23Å
57F87.6Confident78.8Confident37 Ų3757.5 Ų57.516%0.16232%0.32CS..Hα-helixtrans-69.9-44.8176.4-61.5-48.3000112.7D53 V54 I55 E59 Q60 G61 K62 V67D53-F57 HydrophobicContact CB-CE2 3.86Å; D53-F57 HydrophobicContact CB-CZ 4.46Å; D53-F57 WeakPolarHBondContact O-CD2 3.37Å; D53-F57 WeakPolarHBondContact O-CE2 3.04Å; D53-F57 WeakPolarHBondContact O-CG 3.38Å; D53-F57 PolarHBondContact O-N 3.29Å; V54-F57 PolarHBondContact O-N 3.37Å; I55-F57 VanDerWaalsContact C-N 3.3Å; I55-F57 PolarHBondContact O-N 3.1Å; F57-E59 VanDerWaalsContact C-N 3.31Å; F57-E59 PolarHBondContact O-N 2.83Å; F57-Q60 CarbonylContact O-C 3.49Å; F57-Q60 WeakPolarHBondContact O-CA 3.39Å; F57-Q60 WeakPolarHBondContact O-CB 3.46Å; F57-Q60 PolarHBondContact O-N 3.02Å; F57-G61 PolarHBondContact O-N 3.13Å; F57-G61 VanDerWaalsContact O-N 3.16Å; F57-K62 CarbonylContact C-O 3.48Å; F57-K62 HydrophobicContact CB-CB 3.99Å; F57-K62 HydrophobicContact CD1-CB 4.4Å; F57-K62 HydrophobicContact CD1-CD 4.35Å; F57-K62 WeakPolarHBondContact O-CB 3.42Å; F57-K62 PolarHBondContact O-N 3.49Å; F57-V67 HydrophobicContact CD2-CG2 4.17Å; F57-V67 HydrophobicContact CE2-CB 4.48Å; F57-V67 HydrophobicContact CE2-CG2 3.11Å; F57-V67 HydrophobicContact CZ-CG2 3.46Å; F57-V67 VanDerWaalsContact CZ-CG2 3.46Å
58L88.6Confident77.3Confident6 Ų662.4 Ų62.43%0.03134%0.341CS..Hα-helixtrans-62.1-38-179-71.4175.6000112.1Y31 R32 M35 L36 V54 I55 Q60 G61 P64Y31-L58 HydrophobicContact CD1-CD1 4.28Å; Y31-L58 HydrophobicContact CD1-CD2 4.21Å; Y31-L58 HydrophobicContact CE1-CD1 3.86Å; Y31-L58 HydrophobicContact CE1-CD2 4.18Å; R32-L58 HydrophobicContact CB-CD2 4.09Å; R32-L58 HydrophobicContact CG-CB 4.21Å; R32-L58 HydrophobicContact CG-CD2 4.08Å; R32-L58 VanDerWaalsContact CZ-O 3.25Å; R32-L58 PolarHBondContact NE-O 3.29Å; R32-L58 PolarHBondContact NH2-O 3.35Å; M35-L58 HydrophobicContact CB-CD1 3.65Å; M35-L58 HydrophobicContact CG-CD1 4.32Å; L36-L58 HydrophobicContact CD2-CB 4.06Å; L36-L58 HydrophobicContact CG-CB 4.29Å; V54-L58 HydrophobicContact CG2-CD1 3.97Å; V54-L58 HydrophobicContact CG2-CG 4.35Å; V54-L58 WeakPolarHBondContact O-CB 3.47Å; V54-L58 WeakPolarHBondContact O-CG 3.43Å; V54-L58 PolarHBondContact O-N 3.32Å; I55-L58 PolarHBondContact O-N 3.35Å; L58-Q60 VanDerWaalsContact C-N 3.33Å; L58-Q60 PolarHBondContact O-N 3.18Å; L58-G61 PolarHBondContact O-N 2.89Å; L58-G61 VanDerWaalsContact O-N 3.12Å; L58-P64 HydrophobicContact CD2-CG 3.93Å; L58-P64 HydrophobicContact CG-CG 4.41Å
59E87.3Confident76.2Confident87 Ų8769.2 Ų69.241%0.40735%0.348SS..Hα-helixtrans-62.1-41.2172.9-73.1176.4-178.400112R32 L36 K51 I55 F57 G61R32-E59 PolarHBondContact NH2-O 3.38Å; L36-E59 HydrophobicContact CD2-CG 3.61Å; K51-E59 VanDerWaalsContact CE-OE1 3.26Å; K51-E59 WeakPolarHBondContact CE-OE1 3.45Å; K51-E59 VanDerWaalsContact CE-OE2 3.28Å; K51-E59 WeakPolarHBondContact CE-OE2 3.21Å; K51-E59 IonicContact NZ-OE1 2.72Å; K51-E59 PolarHBondContact NZ-OE1 2.99Å; K51-E59 IonicContact NZ-OE2 2.57Å; K51-E59 PolarHBondContact NZ-OE2 3.3Å; I55-E59 WeakPolarHBondContact O-CG 3.3Å; I55-E59 PolarHBondContact O-N 3.5Å; F57-E59 VanDerWaalsContact C-N 3.31Å; F57-E59 PolarHBondContact O-N 2.83Å; E59-G61 PolarHBondContact O-N 3.42Å; E59-G61 VanDerWaalsContact O-N 3.15Å
60Q83.6Confident74.5Confident101 Ų10174.7 Ų74.747%0.47238%0.381SS..THydrogen-bonded Turntrans-72.5-0.2176.6-6617148.100113.4S56 F57 L58 K62S56-Q60 VanDerWaalsContact O-CG 3.3Å; S56-Q60 WeakPolarHBondContact O-CG 3.34Å; S56-Q60 PolarHBondContact O-N 3.04Å; S56-Q60 PolarHBondContact O-NE2 3.04Å; S56-Q60 VanDerWaalsContact O-NE2 3.09Å; S56-Q60 PolarHBondContact OG-NE2 3.23Å; F57-Q60 CarbonylContact O-C 3.49Å; F57-Q60 WeakPolarHBondContact O-CA 3.39Å; F57-Q60 WeakPolarHBondContact O-CB 3.46Å; F57-Q60 PolarHBondContact O-N 3.02Å; L58-Q60 VanDerWaalsContact C-N 3.33Å; L58-Q60 PolarHBondContact O-N 3.18Å; Q60-K62 HydrophobicContact CB-CB 4.45Å; Q60-K62 HydrophobicContact CB-CD 3.99Å; Q60-K62 HydrophobicContact CB-CG 3.98Å; Q60-K62 PolarHBondContact O-N 2.96Å; Q60-K62 VanDerWaalsContact OE1-CE 3.3Å
61G81.9Confident72.5Confident51 Ų5179.2 Ų79.253%0.52641%0.406SS..THydrogen-bonded Turntrans66.820.5-173.700000113.2F57 L58 E59F57-G61 PolarHBondContact O-N 3.13Å; F57-G61 VanDerWaalsContact O-N 3.16Å; L58-G61 PolarHBondContact O-N 2.89Å; L58-G61 VanDerWaalsContact O-N 3.12Å; E59-G61 PolarHBondContact O-N 3.42Å; E59-G61 VanDerWaalsContact O-N 3.15Å
62K83.4Confident70.2Confident90 Ų9080.7 Ų80.739%0.39143%0.429SS..  trans-93.9152.3178.9-69.3178.3-179.1169.70110.5F57 Q60 M66F57-K62 CarbonylContact C-O 3.48Å; F57-K62 HydrophobicContact CB-CB 3.99Å; F57-K62 HydrophobicContact CD1-CB 4.4Å; F57-K62 HydrophobicContact CD1-CD 4.35Å; F57-K62 WeakPolarHBondContact O-CB 3.42Å; F57-K62 PolarHBondContact O-N 3.49Å; Q60-K62 HydrophobicContact CB-CB 4.45Å; Q60-K62 HydrophobicContact CB-CD 3.99Å; Q60-K62 HydrophobicContact CB-CG 3.98Å; Q60-K62 PolarHBondContact O-N 2.96Å; Q60-K62 VanDerWaalsContact OE1-CE 3.3Å; K62-M66 HydrophobicContact CB-CE 3.6Å; K62-M66 HydrophobicContact CD-CE 3.82Å; K62-M66 HydrophobicContact CG-CE 3.55Å
63E79.3Confident68.5Low68 Ų6883.5 Ų83.532%0.31846%0.462SS..  trans-72.1137.1176.3-72.2-168.6147.800112R28 W65 M66R28-E63 IonicContact NH1-OE1 3.21Å; R28-E63 PolarHBondContact NH1-OE1 3.43Å; E63-W65 VanDerWaalsContact C-N 3.3Å; E63-W65 HydrophobicContact CB-CH2 3.58Å; E63-W65 HydrophobicContact CB-CZ2 3.45Å; E63-W65 VanDerWaalsContact CB-CZ2 3.45Å; E63-W65 HydrophobicContact CG-CH2 3.93Å; E63-W65 HydrophobicContact CG-CZ2 3.7Å; E63-W65 PolarHBondContact O-N 3.17Å; E63-W65 VanDerWaalsContact O-N 3.15Å; E63-W65 WeakPolarHBondContact OE2-CZ2 3.12Å; E63-W65 PolarHBondContact OE2-NE1 3.13Å; E63-M66 HydrophobicContact CB-CG 3.98Å; E63-M66 WeakPolarHBondContact O-CB 3.32Å; E63-M66 WeakPolarHBondContact O-CG 3.33Å; E63-M66 PolarHBondContact O-N 2.89Å; E63-M66 VanDerWaalsContact O-N 3.1Å
64P72.2Confident65.8Low22 Ų2281.5 Ų81.514%0.14347%0.468CS..THydrogen-bonded Turntrans-51.1-32.6-177.7-32.832.2000117.7W20 Y31 V54 L58W20-P64 HydrophobicContact CH2-CG 4.34Å; W20-P64 HydrophobicContact CZ3-CG 4.43Å; Y31-P64 HydrophobicContact CE1-CG 3.88Å; V54-P64 HydrophobicContact CG2-CB 3.91Å; V54-P64 HydrophobicContact CG2-CG 4.05Å; L58-P64 HydrophobicContact CD2-CG 3.93Å; L58-P64 HydrophobicContact CG-CG 4.41Å
65W68.9Low63.5Low51 Ų5187.8 Ų87.819%0.19350%0.5CS..THydrogen-bonded Turntrans-9313.3-179.751.484000113.9Q17 W20 E63 V67Q17-W65 HydrophobicContact CG-CD2 4.48Å; Q17-W65 HydrophobicContact CG-CG 4.09Å; W20-W65 HydrophobicContact CB-CE3 4.03Å; W20-W65 HydrophobicContact CB-CH2 4.01Å; W20-W65 HydrophobicContact CB-CZ2 4.26Å; W20-W65 HydrophobicContact CB-CZ3 3.73Å; W20-W65 AromaticContact CD1-CE2 3.9Å; W20-W65 AromaticContact CD1-CH2 2.9Å; W20-W65 AromaticContact CD1-CZ2 2.92Å; W20-W65 AromaticContact CD1-CZ3 3.56Å; W20-W65 HydrophobicContact CD2-CE3 4.25Å; W20-W65 AromaticContact CD2-CH2 3.1Å; W20-W65 HydrophobicContact CD2-CH2 3.1Å; W20-W65 AromaticContact CD2-CZ2 3.98Å; W20-W65 HydrophobicContact CD2-CZ2 3.98Å; W20-W65 AromaticContact CD2-CZ3 3.13Å; W20-W65 HydrophobicContact CD2-CZ3 3.13Å; W20-W65 AromaticContact CE2-CH2 2.93Å; W20-W65 AromaticContact CE2-CZ2 3.76Å; W20-W65 AromaticContact CE2-CZ3 3.5Å; W20-W65 AromaticContact CE3-CH2 3.97Å; W20-W65 HydrophobicContact CE3-CH2 3.97Å; W20-W65 AromaticContact CE3-CZ3 3.6Å; W20-W65 HydrophobicContact CE3-CZ3 3.6Å; W20-W65 AromaticContact CG-CE3 3.92Å; W20-W65 HydrophobicContact CG-CE3 3.92Å; W20-W65 AromaticContact CG-CH2 3.05Å; W20-W65 HydrophobicContact CG-CH2 3.05Å; W20-W65 AromaticContact CG-CZ2 3.47Å; W20-W65 HydrophobicContact CG-CZ2 3.47Å; W20-W65 VanDerWaalsContact CG-CZ2 3.47Å; W20-W65 AromaticContact CG-CZ3 3.16Å; W20-W65 HydrophobicContact CG-CZ3 3.16Å; W20-W65 HydrophobicContact CH2-CH2 4.37Å; W20-W65 HydrophobicContact CH2-CZ3 4.47Å; W20-W65 AromaticContact CZ2-CH2 3.6Å; W20-W65 HydrophobicContact CZ2-CH2 3.6Å; W20-W65 HydrophobicContact CZ2-CZ3 4.11Å; W20-W65 HydrophobicContact CZ3-CZ3 4.26Å; W20-W65 AromaticContact NE1-CH2 2.83Å; W20-W65 AromaticContact NE1-CZ2 3.12Å; W20-W65 AromaticContact NE1-CZ3 3.75Å; E63-W65 VanDerWaalsContact C-N 3.3Å; E63-W65 HydrophobicContact CB-CH2 3.58Å; E63-W65 HydrophobicContact CB-CZ2 3.45Å; E63-W65 VanDerWaalsContact CB-CZ2 3.45Å; E63-W65 HydrophobicContact CG-CH2 3.93Å; E63-W65 HydrophobicContact CG-CZ2 3.7Å; E63-W65 PolarHBondContact O-N 3.17Å; E63-W65 VanDerWaalsContact O-N 3.15Å; E63-W65 WeakPolarHBondContact OE2-CZ2 3.12Å; E63-W65 PolarHBondContact OE2-NE1 3.13Å; W65-V67 PolarHBondContact O-N 3.46Å; W65-V67 VanDerWaalsContact O-N 3.07Å
66M57.2Low60.8Low96 Ų9694.1 Ų94.147%0.47354%0.543SS..G310 helixtrans-71.33.9175.3-70-134.6-66.200114.7K62 E63 E68K62-M66 HydrophobicContact CB-CE 3.6Å; K62-M66 HydrophobicContact CD-CE 3.82Å; K62-M66 HydrophobicContact CG-CE 3.55Å; E63-M66 HydrophobicContact CB-CG 3.98Å; E63-M66 WeakPolarHBondContact O-CB 3.32Å; E63-M66 WeakPolarHBondContact O-CG 3.33Å; E63-M66 PolarHBondContact O-N 2.89Å; E63-M66 VanDerWaalsContact O-N 3.1Å; M66-E68 VanDerWaalsContact C-N 3.27Å; M66-E68 PolarHBondContact O-N 3.02Å
67V48.3Very low58.7Low79 Ų7997.2 Ų97.248%0.47956%0.562SS.*G310 helixtrans-61.7-30.1179.5179.50000113.1F57 W65 R69F57-V67 HydrophobicContact CD2-CG2 4.17Å; F57-V67 HydrophobicContact CE2-CB 4.48Å; F57-V67 HydrophobicContact CE2-CG2 3.11Å; F57-V67 HydrophobicContact CZ-CG2 3.46Å; F57-V67 VanDerWaalsContact CZ-CG2 3.46Å; W65-V67 PolarHBondContact O-N 3.46Å; W65-V67 VanDerWaalsContact O-N 3.07Å; V67-R69 VanDerWaalsContact C-N 3.31Å; V67-R69 PolarHBondContact O-N 2.99Å
68E46.4Very low56.3Low169 Ų169101.8 Ų101.879%0.7959%0.592SS**G310 helixtrans-80.7-0.5-163.9-158169.5-173.300115.3M66M66-E68 VanDerWaalsContact C-N 3.27Å; M66-E68 PolarHBondContact O-N 3.02Å
69R44.1Very low54Low234 Ų234109.5 Ų109.588%0.88363%0.633SS**G310 helixtrans-119.218.5-171.8-65.5-135.4-72-178.7-5.3117.4V67V67-R69 VanDerWaalsContact C-N 3.31Å; V67-R69 PolarHBondContact O-N 2.99Å
70V38.3Very low51.7Low129 Ų129114.4 Ų114.478%0.78266%0.656SS**SBendtrans-130.4-2.5175.3-168.30000114.4S72V70-S72 PolarHBondContact O-N 3.46Å
71V40Very low49.4Very low139 Ų139114.2 Ų114.284%0.84267%0.666SS**SBendtrans-101.453174.4-165.60000111.3
72S37.2Very low47.6Very low129 Ų129123 Ų12390%0.90268%0.683SS**  trans-140.359.6160.9-142.90000109.6V70V70-S72 PolarHBondContact O-N 3.46Å
73G47.8Very low45.1Very low79 Ų79128.8 Ų128.881%0.81470%0.704SS**  trans-137.382.1172.800000109.2
74G29Very low43.1Very low74 Ų74132.4 Ų132.476%0.76373%0.726SS**  trans-171.668.1-178.100000113.8
75L36.6Very low41.2Very low164 Ų164138 Ų13886%0.85976%0.76SS**  trans42.1115.3154.4-61169.5000120.5
76C32.1Very low39.8Very low133 Ų133144.2 Ų144.290%0.89979%0.788SS**  trans-145.3108130.2-119.60000108.7
77P42.5Very low38.8Very low103 Ų103148 Ų14867%0.66981%0.805SS**  trans-80.6154.6166.933-28.7000109.8
78V38.2Very low38.1Very low133 Ų133152 Ų15281%0.80682%0.822SS**  trans9285.7169.8-166.40000115.7
79L38.8Very low37.5Very low168 Ų168153.5 Ų153.588%0.8883%0.827SS**  -165.8105.9119.4-106.7144.1000109.5
80E40.4Very low37Very low191 Ų191148.4 Ų148.489%0.89382%0.824SS**  trans-56.9133.1168.7-70.2172.1127.100110.7
81S35.7Very low37Very low97 Ų97151.9 Ų151.968%0.67883%0.828SS**  -164.2111.9123.356.30000112.1
82R43.7Very low36.7Very low234 Ų234153.9 Ų153.988%0.88383%0.828SS**  trans-0.4120153.4-49.8-175.5-33.1-156.84.6118.3
83Y30.6Very low36.3Very low212 Ų212155 Ų15583%0.83182%0.819SS**  -151.9121.4123.411.7-96.6000109.5
84D36.6Very low35.9Very low145 Ų145156.3 Ų156.378%0.77581%0.811SS**  trans-57.3134.7172.8-95.7-54.7000111.3
85T32.3Very low35.9Very low140 Ų140162.1 Ų162.186%0.85981%0.811SS**  trans-144.2117.1139.6-59.70000108.3
86K39.1Very low36.1Very low180 Ų180162.9 Ų162.978%0.78381%0.811SS**  trans-66.1134.9176.1-55.5170-178.6178.80108.9
87E37.7Very low36.1Very low177 Ų177162.6 Ų162.683%0.82780%0.804SS**  trans-169.8141.3146.2-97.8-87.7126.400107.9
88L33.8Very low35.9Very low162 Ų162166.3 Ų166.385%0.84881%0.813SS**PPolyproline II helixtrans-92.2126.8-148-67.3153.8000112.8
89F32.7Very low35.7Very low201 Ų201165 Ų16588%0.88281%0.81SS**PPolyproline II helixtrans-84.2129.3161.5-69.2-82.2000110.3K91F89-K91 PolarHBondContact O-N 3.15Å
90P33.8Very low35.7Very low127 Ų127162.2 Ų162.283%0.82580%0.802SS**PPolyproline II helixtrans-75.1122.8161.2-7.124.2000109.5
91K38.7Very low35.4Very low201 Ų201160.3 Ų160.387%0.87479%0.793SS**PPolyproline II helixtrans-66.4130.5169-72.3169.6175.2172.60110.5F89F89-K91 PolarHBondContact O-N 3.15Å
92Q34.5Very low35.3Very low181 Ų181163.3 Ų163.385%0.84679%0.789SS**  trans-140.791150.7-100.6170-4.200106.2
93H28.8Very low35Very low152 Ų152159.1 Ų159.170%0.70478%0.78SS**  68.4114.793.7-151.5-79.6000112.3
94V38.2Very low35.5Very low108 Ų108156.6 Ų156.666%0.65578%0.779SS**  trans-53.9131.7178175.30000110.7E96V94-E96 HydrophobicContact CG1-CB 4.07Å
95Y29.6Very low35.1Very low195 Ų195157 Ų15777%0.76578%0.778SS**  trans-119.3105.7144.5-41.6-76.8000105.6V97Y95-V97 PolarHBondContact O-N 2.86Å
96E39.7Very low35Very low181 Ų181156.9 Ų156.985%0.84677%0.768SS**  trans-76.799.1166.9-160.1166-148.200105.1V94V94-E96 HydrophobicContact CG1-CB 4.07Å
97V32.8Very low34.6Very low126 Ų126152.9 Ų152.976%0.76476%0.762SS**  trans-113111.6164.7167.10000105.7Y95 S99Y95-V97 PolarHBondContact O-N 2.86Å; V97-S99 PolarHBondContact O-N 3.05Å
98E39.1Very low34.4Very low181 Ų181151.7 Ų151.785%0.84676%0.761SS**  trans-43.3117.8169.2-63173.9152.800109.6
99S34.4Very low34.5Very low106 Ų106149.8 Ų149.874%0.74176%0.756SS**  trans-93.5116.1171178.20000107.7V97 Q101V97-S99 PolarHBondContact O-N 3.05Å; S99-Q101 PolarHBondContact O-N 2.94Å
100P38.7Very low34.7Very low110 Ų110143.8 Ų143.871%0.71474%0.739SS**  trans-75.985.6169.430.7-28.4000108
101Q33.8Very low34.3Very low151 Ų151148.1 Ų148.171%0.70674%0.741SS**  5.5114.7122.5-129.2169.352.400114.3S99 E103S99-Q101 PolarHBondContact O-N 2.94Å; Q101-E103 PolarHBondContact O-N 3.39Å
102W32.8Very low34.3Very low159 Ų159142.2 Ų142.260%0.60274%0.737SS**SBendtrans73.9-2.9143.782.3-87.1000124.2I104W102-I104 PolarHBondContact O-N 3.19Å
103E37.8Very low34.4Very low147 Ų147141.8 Ų141.869%0.68774%0.739SS**THydrogen-bonded Turntrans-84.7-5.4-166.8-75.4173.7171.800118.8Q101Q101-E103 PolarHBondContact O-N 3.39Å
104I40.3Very low34.6Very low158 Ų158142.4 Ų142.481%0.8174%0.743SS**THydrogen-bonded Turntrans-102.7-5.6178.7-59.6177.7000113.2W102W102-I104 PolarHBondContact O-N 3.19Å
105M28.1Very low34.3Very low154 Ų154143.5 Ų143.576%0.75975%0.753SS**SBendtrans-91.2-15.1-177.5-165.3132.459.800113.8S107M105-S107 PolarHBondContact O-N 3.32Å
106E31.8Very low34.6Very low137 Ų137138.6 Ų138.664%0.6475%0.747SS**G310 helixtrans-81.4-10.7-172.8-150.4-175.1-162.700114.5
107S29.4Very low34.6Very low96 Ų96134.3 Ų134.367%0.67174%0.738SS**G310 helixtrans-85.3-9.1179.663.90000114.8M105 T109M105-S107 PolarHBondContact O-N 3.32Å; S107-T109 VanDerWaalsContact C-N 3.31Å; S107-T109 PolarHBondContact O-N 3.19Å
108L33Very low34.5Very low153 Ų153137.7 Ų137.780%0.80174%0.742SS**G310 helixtrans-86.10.6-178.6-69.8174.6000113.9
109T36.9Very low34.3Very low121 Ų121135.9 Ų135.974%0.74273%0.734SS**G310 helixtrans-102.83-174.8-23.40000114.6S107S107-T109 VanDerWaalsContact C-N 3.31Å; S107-T109 PolarHBondContact O-N 3.19Å
110S35.8Very low34.3Very low76 Ų76137 Ų13753%0.53173%0.732SS.*SBendtrans-87.1-65.6-167.1-159.50000113.6
111Y25.4Very low34.1Very low218 Ų218139 Ų13986%0.85574%0.736SS**SBendtrans-152.2135.1-178.3-59.2-78.1000109.9
112G39.3Very low34.4Very low76 Ų76139.2 Ų139.278%0.78473%0.731SS**  trans-61165.5-17000000115.7
113L36.2Very low34.5Very low172 Ų172137.8 Ų137.890%0.90173%0.731SS**  trans93132.3173.8-73.8154000117.5
114E34.2Very low34.5Very low166 Ų166135.8 Ų135.878%0.77673%0.732SS**  trans86.983.4161.2-64.8-176.7-177.100119.2S116E114-S116 PolarHBondContact O-N 3.09Å
115C31.5Very low34Very low130 Ų130139.2 Ų139.288%0.87874%0.735SS**  trans-82.588.6147.9-90.80000108.8
116S35Very low34.1Very low92 Ų92137.5 Ų137.564%0.64373%0.728SS**  trans-1059171.551.90000113.7E114E114-S116 PolarHBondContact O-N 3.09Å
117S39.6Very low34.1Very low92 Ų92138.2 Ų138.264%0.64373%0.732SS**  trans-106.45.6-17569.30000115.9Q119S117-Q119 PolarHBondContact O-N 3.12Å
118F31.6Very low34.1Very low196 Ų196143.3 Ų143.386%0.8674%0.742SS**THydrogen-bonded Turntrans-80.34.3175.3-128.6-90.9000113.4
119Q35.8Very low34.3Very low144 Ų144143.6 Ų143.667%0.67375%0.745SS**THydrogen-bonded Turntrans-96.3-9.3-176.6-166.5153.83.900114S117 W122S117-Q119 PolarHBondContact O-N 3.12Å; Q119-W122 PolarHBondContact O-NE1 3.47Å
120D34.1Very low34.4Very low130 Ų130148.9 Ų148.970%0.69575%0.751SS**SBendtrans-103.7-13.2-173.4-73.4-17.8000114.6
121D34.9Very low34.4Very low151 Ų151153.8 Ų153.881%0.80777%0.765SS**SBendtrans-92.7-15.5-176.3-133.428.5000113.6
122W40Very low34.8Very low155 Ų155152.4 Ų152.459%0.58777%0.767SS**G310 helixtrans-79.7-18.3-177.186.8-72.3000113.6Q119 C124Q119-W122 PolarHBondContact O-NE1 3.47Å; W122-C124 PolarHBondContact O-N 3.31Å
123E33.9Very low34.3Very low130 Ų130152.3 Ų152.361%0.60777%0.765SS**G310 helixtrans-72.5-12.7-177.6-65.6-163.7160.500113.5
124C37.8Very low34.2Very low104 Ų104152 Ų15270%0.70377%0.765SS**G310 helixtrans-88.5-0.8-171.8-112.30000115.9W122W122-C124 PolarHBondContact O-N 3.31Å
125R29.6Very low34.8Very low230 Ų230149.1 Ų149.187%0.86876%0.761SS**SBendtrans-110.9-10.2-178-144.5176.5-82.2-99.32.5115.3
126N31.1Very low34.7Very low118 Ų118149.3 Ų149.363%0.63175%0.753SS**  trans-10215.1-178.9-69.7-38.7000114.3F128N126-F128 PolarHBondContact O-N 3.44Å
127Q31.8Very low34.8Very low152 Ų152153.8 Ų153.871%0.7176%0.756SS**THydrogen-bonded Turntrans-79.124.1-170.9-115.7-177.478.300115.6
128F28.6Very low34.1Very low204 Ų204156.6 Ų156.690%0.89576%0.758SS**THydrogen-bonded Turntrans-98.64.8178.2-108.7-79000116.1N126N126-F128 PolarHBondContact O-N 3.44Å
129D36.5Very low34.2Very low158 Ų158157.6 Ų157.685%0.84576%0.763SS**  trans-148.832.3-179.7-104.7-21.4000116.9Q131D129-Q131 PolarHBondContact O-N 2.96Å
130R39.1Very low34.2Very low233 Ų233159.3 Ų159.388%0.87977%0.77SS**  trans-9980.1169.2-71.9-175.284.1177.75.6111.9
131Q35.5Very low34.1Very low178 Ų178161.1 Ų161.183%0.83277%0.774SS**  trans-112.8110.3145-75.7-76.7-12.300109.2D129D129-Q131 PolarHBondContact O-N 2.96Å
132Q34.4Very low33.8Very low190 Ų190161.9 Ų161.989%0.88878%0.775SS**  trans90.3107.8144.6-150.8162.339.800120
133G28.7Very low33.4Very low73 Ų73160.9 Ų160.975%0.75378%0.78SS**  122.390.1129.500000120.4
134N34.4Very low33.2Very low166 Ų166161.9 Ų161.989%0.88879%0.788SS**  trans73.4144.5149.2-141.928.7000120
135P47Very low32.7Very low106 Ų106166.5 Ų166.569%0.68879%0.791SS**  trans-103.7120.6-16836.9-24.9000112.1
136D30.3Very low33.1Very low134 Ų134162.1 Ų162.172%0.71778%0.78SS**  trans-161.7125.8145.9-137.8-8.5000110.8
137R35.5Very low33.2Very low186 Ų186164.3 Ų164.370%0.70279%0.786SS**  trans70.5125.8138.5-90.4167.6-159.2-109.53.3122.5
138H26.2Very low33.6Very low150 Ų150166 Ų16669%0.69479%0.794SS**  trans87122.3146.5-56.9-52.7000117.2H140H138-H140 PolarHBondContact O-N 2.85Å
139F33.4Very low33.7Very low218 Ų218163.7 Ų163.796%0.95679%0.788SS**  trans-40.7108.5169.3-91.7-97.7000110.5Q141F139-Q141 PolarHBondContact O-N 3.41Å
140H34.7Very low33.7Very low179 Ų179161.7 Ų161.783%0.82978%0.784SS**  trans-85.499.9173-141.443.2000107.5H138 M142H138-H140 PolarHBondContact O-N 2.85Å; H140-M142 PolarHBondContact O-N 2.64Å
141Q33.8Very low33.6Very low168 Ų168157.8 Ų157.879%0.78579%0.786SS**  trans-60.1104.6162.4-169170.534.400106.7F139 I143F139-Q141 PolarHBondContact O-N 3.41Å; Q141-I143 VanDerWaalsContact C-N 3.29Å; Q141-I143 PolarHBondContact O-N 3.38Å
142M28.2Very low33.5Very low168 Ų168156.7 Ų156.783%0.82878%0.779SS**  trans-72.189.8179.7-168.7135.9109.800108.6H140 I144H140-M142 PolarHBondContact O-N 2.64Å; M142-I144 PolarHBondContact O-N 3.21Å
143I30.6Very low33.7Very low133 Ų133153.4 Ų153.468%0.68277%0.767SS**  trans-64.9106.5165.1-63.7-171.7000106.1Q141 R145Q141-I143 VanDerWaalsContact C-N 3.29Å; Q141-I143 PolarHBondContact O-N 3.38Å; I143-R145 PolarHBondContact O-N 3.09Å
144I31Very low34.2Very low152 Ų152155.7 Ų155.778%0.77976%0.758SS**  trans-56.6112.7169.4-59.9177.3000106.8M142 H146M142-I144 PolarHBondContact O-N 3.21Å; I144-H146 PolarHBondContact O-N 3.04Å
145R25.9Very low34.2Very low201 Ų201154.9 Ų154.976%0.75875%0.749SS**  trans-68.9129.1173.6-75.1178.6151.7-126.6-1.5108.6I143 E147I143-R145 PolarHBondContact O-N 3.09Å; R145-E147 PolarHBondContact O-N 3.48Å; R145-E147 VanDerWaalsContact O-N 3.09Å
146H38.6Very low33.8Very low138 Ų138152.8 Ų152.864%0.63974%0.74SS**G310 helixtrans-66.4-3.6-171-179.3-101.5000115.3I144 E148 Q154I144-H146 PolarHBondContact O-N 3.04Å; H146-E148 PolarHBondContact O-N 3.23Å; H146-Q154 PolarHBondContact CE1-NE2 3.29Å; H146-Q154 PolarHBondContact NE2-NE2 2.81Å; H146-Q154 VanDerWaalsContact NE2-NE2 3.17Å
147E33.3Very low34.1Very low164 Ų164149 Ų14977%0.76672%0.724SS**G310 helixtrans-78.9-10-162.5-69.5-178.9159.900115.5R145R145-E147 PolarHBondContact O-N 3.48Å; R145-E147 VanDerWaalsContact O-N 3.09Å
148E39.7Very low34.2Very low187 Ų187144.9 Ų144.987%0.87472%0.716SS**G310 helixtrans-122.319-176.6-64-170.2178.100115.5H146 P150H146-E148 PolarHBondContact O-N 3.23Å; E148-P150 WeakPolarHBondContact O-CD 3.46Å
149M31.7Very low34.6Very low156 Ų156141 Ų14177%0.76870%0.703SS**  trans-84122.1165.4-85.5-154.8154.300110.6T151M149-T151 PolarHBondContact O-N 3.49Å
150P35.4Very low34.6Very low116 Ų116137.2 Ų137.275%0.75369%0.686SS**  trans-57.5127.1162.2-1326.5000107.4E148 F152E148-P150 WeakPolarHBondContact O-CD 3.46Å; P150-F152 PolarHBondContact O-N 3.4Å
151T36.6Very low34.3Very low151 Ų151136.8 Ų136.893%0.92668%0.678SS**  trans-38.994.4-17633.70000113.1M149M149-T151 PolarHBondContact O-N 3.49Å
152F34.8Very low34.2Very low154 Ų154134.5 Ų134.568%0.67567%0.668SS**  trans-94.6125.9160.9-171.8-105.5000107.2P150 Q154P150-F152 PolarHBondContact O-N 3.4Å; F152-Q154 PolarHBondContact O-N 3.28Å; F152-Q154 VanDerWaalsContact O-N 3.07Å
153D38.2Very low34.3Very low122 Ų122134.1 Ų134.165%0.65266%0.661SS**  trans-59.4111-166-159.6-14.9000111.4H155 A156D153-H155 PolarHBondContact O-N 3.35Å; D153-A156 PolarHBondContact O-N 3.49Å
154Q38Very low34.6Very low120 Ų120133.3 Ų133.356%0.56166%0.657SS**Hα-helixtrans-63.3-13.2-171-65.2175.21.800112.9H146 F152 A156 L158H146-Q154 PolarHBondContact CE1-NE2 3.29Å; H146-Q154 PolarHBondContact NE2-NE2 2.81Å; H146-Q154 VanDerWaalsContact NE2-NE2 3.17Å; F152-Q154 PolarHBondContact O-N 3.28Å; F152-Q154 VanDerWaalsContact O-N 3.07Å; Q154-A156 VanDerWaalsContact C-N 3.32Å; Q154-A156 PolarHBondContact O-N 3.48Å; Q154-L158 PolarHBondContact O-N 3.37Å
155H36.2Very low34.7Very low150 Ų150134.6 Ų134.669%0.69466%0.66SS**Hα-helixtrans-69-28.1178.4-129.2-81000113.1D153 T159D153-H155 PolarHBondContact O-N 3.35Å; H155-T159 PolarHBondContact O-OG1 3.31Å
156A36.8Very low35Very low61 Ų61129.1 Ų129.150%0.50465%0.649SS.*Hα-helixtrans-74.6-40.8178.400000111.9D153 Q154 F160D153-A156 PolarHBondContact O-N 3.49Å; Q154-A156 VanDerWaalsContact C-N 3.32Å; Q154-A156 PolarHBondContact O-N 3.48Å; A156-F160 PolarHBondContact O-N 3.48Å
157S38.1Very low34.8Very low55 Ų55135 Ų13539%0.38567%0.665SS.*Hα-helixtrans-71.9-41.3-175.8-440000112.3T159 F160 Y161S157-T159 PolarHBondContact O-N 3.2Å; S157-F160 PolarHBondContact O-N 3.49Å; S157-Y161 WeakPolarHBondContact O-CD2 3.36Å; S157-Y161 PolarHBondContact O-N 3.49Å
158L36.4Very low35Very low100 Ų100134.9 Ų134.952%0.52467%0.665SS.*Hα-helixtrans-69.9-34.3-178.6-120.7149.8000112.5Q154 F160 Y161 Q162Q154-L158 PolarHBondContact O-N 3.37Å; L158-F160 PolarHBondContact O-N 2.75Å; L158-Y161 PolarHBondContact O-N 3.17Å; L158-Q162 HydrophobicContact CD2-CG 4.08Å; L158-Q162 WeakPolarHBondContact O-CB 3.36Å; L158-Q162 WeakPolarHBondContact O-CG 3.44Å; L158-Q162 PolarHBondContact O-N 3.45Å
159T34.4Very low35.1Very low68 Ų68135.3 Ų135.342%0.41766%0.664SS.*Hα-helixtrans-65.7-30176.3-47.90000111.7H155 S157 K163H155-T159 PolarHBondContact O-OG1 3.31Å; S157-T159 PolarHBondContact O-N 3.2Å; T159-K163 WeakPolarHBondContact O-CB 3.46Å; T159-K163 PolarHBondContact O-N 3.05Å
160F33.7Very low35.4Very low138 Ų138133.8 Ų133.861%0.60567%0.666SS**Hα-helixtrans-71.6-49.3177.9-170.3-100.6000111.7A156 S157 L158 K163 I164A156-F160 PolarHBondContact O-N 3.48Å; S157-F160 PolarHBondContact O-N 3.49Å; L158-F160 PolarHBondContact O-N 2.75Å; F160-K163 PolarHBondContact O-N 3.32Å; F160-I164 HydrophobicContact CD1-CD1 4.18Å; F160-I164 HydrophobicContact CE1-CD1 3.96Å; F160-I164 HydrophobicContact CZ-CD1 4.45Å; F160-I164 WeakPolarHBondContact O-CD1 3.41Å; F160-I164 WeakPolarHBondContact O-CG1 3.5Å
161Y29Very low35.4Very low170 Ų170137.8 Ų137.867%0.66767%0.671SS**Hα-helixtrans-71.3-32.7-179.5-74.2-79.4000113.6S157 L158S157-Y161 WeakPolarHBondContact O-CD2 3.36Å; S157-Y161 PolarHBondContact O-N 3.49Å; L158-Y161 PolarHBondContact O-N 3.17Å
162Q31Very low35.4Very low120 Ų120133.8 Ų133.856%0.56166%0.661SS**Hα-helixtrans-72.5-29.4177.1-77.3179-19.300113.4L158 I164 H165 T166L158-Q162 HydrophobicContact CD2-CG 4.08Å; L158-Q162 WeakPolarHBondContact O-CB 3.36Å; L158-Q162 WeakPolarHBondContact O-CG 3.44Å; L158-Q162 PolarHBondContact O-N 3.45Å; Q162-I164 PolarHBondContact O-N 3.21Å; Q162-H165 PolarHBondContact O-N 3.07Å; Q162-T166 PolarHBondContact O-N 2.99Å; Q162-T166 PolarHBondContact O-OG1 3.46Å
163K30.9Very low35.3Very low160 Ų160136 Ų13670%0.69667%0.666SS**Hα-helixtrans-69.1-19178.1-111.4177.1176.1175.40114.2T159 F160T159-K163 WeakPolarHBondContact O-CB 3.46Å; T159-K163 PolarHBondContact O-N 3.05Å; F160-K163 PolarHBondContact O-N 3.32Å
164I36.7Very low35.3Very low117 Ų117136.9 Ų136.960%0.667%0.671SS**Hα-helixtrans-88.7-26.4-175.8-53.9167.7000110.6F160 Q162F160-I164 HydrophobicContact CD1-CD1 4.18Å; F160-I164 HydrophobicContact CE1-CD1 3.96Å; F160-I164 HydrophobicContact CZ-CD1 4.45Å; F160-I164 WeakPolarHBondContact O-CD1 3.41Å; F160-I164 WeakPolarHBondContact O-CG1 3.5Å; Q162-I164 PolarHBondContact O-N 3.21Å
165H34Very low35.2Very low179 Ų179139.1 Ų139.183%0.82968%0.678SS**Hα-helixtrans-89.3-26.1179.7-94.1-74.8000114.7Q162Q162-H165 PolarHBondContact O-N 3.07Å
166T31.9Very low35.6Very low86 Ų86138 Ų13853%0.52869%0.686SS.*SBendtrans-106.4102.7177.1-80000109.3Q162 E168Q162-T166 PolarHBondContact O-N 2.99Å; Q162-T166 PolarHBondContact O-OG1 3.46Å; T166-E168 HydrophobicContact CG2-CG 4.45Å; T166-E168 PolarHBondContact O-N 2.65Å
167R34.8Very low35.6Very low260 Ų260145 Ų14598%0.98170%0.699SS**  trans-66.265.1173.5-169.3-168.5-173.3-1734.2111.1
168E35.7Very low35.9Very low163 Ų163150.1 Ų150.176%0.76271%0.714SS**  trans-102.7118.2172.2-70.3-164.7163.900110.2T166T166-E168 HydrophobicContact CG2-CG 4.45Å; T166-E168 PolarHBondContact O-N 2.65Å
169K42Very low36.1Very low195 Ų195152.4 Ų152.485%0.84873%0.727SS**  trans-66.9130.6169.1-79.6176.8172.3178.20108.9F171K169-F171 PolarHBondContact O-N 3.04Å
170P37.8Very low36.3Very low125 Ų125157.2 Ų157.281%0.81274%0.743SS**  trans-67.9108.2166.4-13.828000109.4
171F36.2Very low36.7Very low199 Ų199165.8 Ų165.887%0.87377%0.771SS**  trans-73.4120.7160.7-132.2-90.9000107.4K169K169-F171 PolarHBondContact O-N 3.04Å
172G36.7Very low37Very low68 Ų68165.6 Ų165.670%0.70178%0.777SS**  trans-152.35217800000111N174G172-N174 PolarHBondContact O-N 3.03Å; G172-N174 VanDerWaalsContact O-N 3.11Å
173Y33.4Very low37.4Very low201 Ų201168 Ų16879%0.78879%0.788SS**  trans-67.8100.4171.4-163.1-89.5000108.3K175Y173-K175 PolarHBondContact O-N 3.11Å
174N38.1Very low37.7Very low140 Ų140168.4 Ų168.475%0.74979%0.793SS**  trans-69101.216950-10.4000109G172 C176G172-N174 PolarHBondContact O-N 3.03Å; G172-N174 VanDerWaalsContact O-N 3.11Å; N174-C176 PolarHBondContact O-N 2.96Å
175K36.3Very low37.8Very low167 Ų167171.5 Ų171.573%0.72680%0.804SS**  trans-63.291.9170.3-174.4174.6-175170.40109.3Y173 R177Y173-K175 PolarHBondContact O-N 3.11Å; K175-R177 VanDerWaalsContact C-N 3.26Å; K175-R177 PolarHBondContact O-N 2.9Å
176C43.5Very low38Very low125 Ų125171 Ų17185%0.84580%0.803SS**  trans-64.592.1158.7-81.40000108.1N174N174-C176 PolarHBondContact O-N 2.96Å
177R37.8Very low38.4Very low209 Ų209176.7 Ų176.779%0.78982%0.821SS**  trans-78.5120.7167.1-170.1177.3-179.8171.1-0.4107.3K175K175-R177 VanDerWaalsContact C-N 3.26Å; K175-R177 PolarHBondContact O-N 2.9Å
178K43.6Very low38.7Very low162 Ų162170.7 Ų170.770%0.70481%0.81SS**  trans-46.8140.3166.3-64.3168.1172.8179.80110.7F180K178-F180 HydrophobicContact CD-CE2 4.3Å
179D41Very low38.9Very low149 Ų149171.3 Ų171.380%0.79781%0.814SS**  trans-137.3119.9139.7-76-43.8000108
180F38Very low38.6Very low169 Ų169169.3 Ų169.374%0.74181%0.811SS**  trans-82.3130.7164.8-75.3-99.5000107.2K178K178-F180 HydrophobicContact CD-CE2 4.3Å
181W41.4Very low38.7Very low318 Ų318173.4 Ų173.4100%1.20581%0.811SS**  trans-148.50143.8-75.8104.2000108.4

Retrieved 181 of 181 residues in 34 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).