A0A075B7B0_HUMAN Loading...

Zinc finger protein 780A

AlphaFold DB , UniProt , Accession A0A075B7B0, Species HUMAN (Homo sapiens, Human), Gene ZNF780A, Length 106 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.6Very low79.1Confident222 Ų222112.5 Ų112.5100%1.09462%0.616SS**  0120.10-58.6177.3-153.500106.3H3M1-H3 PolarHBondContact O-N 3.33Å
2V55.7Low80.2Confident148 Ų148105.8 Ų105.890%0.89759%0.587SS**  trans-81.8105.5172.2-176.90000105.6G4V2-G4 PolarHBondContact O-N 3.4Å
3H66.9Low81.2Confident169 Ų169105 Ų10578%0.78258%0.579SS**  trans-72.7112.2166-88.1-91.8000106.7M1M1-H3 PolarHBondContact O-N 3.33Å
4G74.8Confident81.8Confident67 Ų67107.9 Ų107.969%0.69159%0.593SS**PPolyproline II helixtrans-61.5138.2171.200000109.8V2V2-G4 PolarHBondContact O-N 3.4Å
5S81.7Confident82.4Confident97 Ų97104.7 Ų104.768%0.67857%0.572SS**PPolyproline II helixtrans-76.6128173.3-174.30000109.1
6V87.1Confident82.9Confident74 Ų74101 Ų10145%0.44856%0.556SS.*PPolyproline II helixtrans-76131.6170.4179.70000108.6D10 V11 L42V6-D10 HydrophobicContact CG1-CB 4.21Å; V6-V11 HydrophobicContact CG1-CG1 3.98Å; V6-L42 HydrophobicContact CB-CD2 4.49Å; V6-L42 HydrophobicContact CG1-CD2 3.98Å
7T89.6Confident83.4Confident60 Ų60100.4 Ų100.437%0.36855%0.548SS..  trans-107.9166.6176.374.90000110.8R9 D10T7-R9 PolarHBondContact O-N 3.49Å; T7-R9 PolarHBondContact OG1-N 3.28Å; T7-D10 WeakPolarHBondContact CA-OD2 3.49Å; T7-D10 WeakPolarHBondContact CB-OD2 3.33Å; T7-D10 PolarHBondContact N-OD2 3.27Å; T7-D10 WeakPolarHBondContact O-CB 3.37Å; T7-D10 PolarHBondContact O-N 3.36Å; T7-D10 VanDerWaalsContact O-N 3.12Å; T7-D10 PolarHBondContact OG1-OD2 2.94Å
8F91.4Very high83.9Confident15 Ų15101.6 Ų101.67%0.06655%0.549CS..Hα-helixtrans-59.6-35.3176.5-175.9-99.9000112.4D10 V11 A12 M35 N38 Y39 L42 I49 P52 V54 I55F8-D10 PolarHBondContact O-N 3.4Å; F8-V11 WeakPolarHBondContact O-CG2 3.34Å; F8-V11 PolarHBondContact O-N 3.36Å; F8-A12 HydrophobicContact CD1-CB 3.87Å; F8-A12 HydrophobicContact CE1-CB 3.54Å; F8-A12 HydrophobicContact CZ-CB 3.96Å; F8-A12 WeakPolarHBondContact O-CB 3.4Å; F8-A12 PolarHBondContact O-N 3.18Å; F8-M35 HydrophobicContact CZ-SD 4.1Å; F8-N38 HydrophobicContact CE2-CB 4.37Å; F8-Y39 HydrophobicContact CD2-CD2 4.37Å; F8-L42 VanDerWaalsContact CA-CD1 3.47Å; F8-L42 HydrophobicContact CB-CD1 3.9Å; F8-L42 HydrophobicContact CD2-CD1 3.92Å; F8-L42 HydrophobicContact CG-CD1 4.41Å; F8-I49 HydrophobicContact CB-CG2 4.42Å; F8-P52 HydrophobicContact CB-CG 4.19Å; F8-P52 HydrophobicContact CD1-CB 4.16Å; F8-P52 HydrophobicContact CD1-CG 3.6Å; F8-P52 HydrophobicContact CD2-CG 4.44Å; F8-P52 HydrophobicContact CE1-CB 4.33Å; F8-P52 HydrophobicContact CE1-CG 4.09Å; F8-P52 HydrophobicContact CG-CG 3.81Å; F8-V54 HydrophobicContact CE1-CG1 3.81Å; F8-V54 HydrophobicContact CZ-CG1 4.4Å; F8-I55 HydrophobicContact CE1-CD1 4.36Å; F8-I55 HydrophobicContact CE1-CG1 4.32Å; F8-I55 HydrophobicContact CE2-CD1 3.71Å; F8-I55 HydrophobicContact CE2-CG1 4.07Å; F8-I55 HydrophobicContact CZ-CD1 3.47Å; F8-I55 VanDerWaalsContact CZ-CD1 3.47Å; F8-I55 HydrophobicContact CZ-CG1 3.84Å
9R90.6Very high84.5Confident222 Ų222101.8 Ų101.884%0.83855%0.546SS*.Hα-helixtrans-64.2-27.5177.8-78.7-178.5167.9-128.6-3.5113.5T7 V11T7-R9 PolarHBondContact O-N 3.49Å; T7-R9 PolarHBondContact OG1-N 3.28Å; R9-V11 PolarHBondContact O-N 2.94Å
10D91.8Very high84.9Confident108 Ų10897 Ų9758%0.57852%0.52SS*.Hα-helixtrans-74.1-18.5-179.4-56.9-55.8000112.4V6 T7 F8V6-D10 HydrophobicContact CG1-CB 4.21Å; T7-D10 WeakPolarHBondContact CA-OD2 3.49Å; T7-D10 WeakPolarHBondContact CB-OD2 3.33Å; T7-D10 PolarHBondContact N-OD2 3.27Å; T7-D10 WeakPolarHBondContact O-CB 3.37Å; T7-D10 PolarHBondContact O-N 3.36Å; T7-D10 VanDerWaalsContact O-N 3.12Å; T7-D10 PolarHBondContact OG1-OD2 2.94Å; F8-D10 PolarHBondContact O-N 3.4Å
11V92.6Very high85.3Confident56 Ų5697.7 Ų97.734%0.33952%0.52SS..Hα-helixtrans-121-4-177.6-59.60000113.3V6 F8 R9 N38 L42V6-V11 HydrophobicContact CG1-CG1 3.98Å; F8-V11 WeakPolarHBondContact O-CG2 3.34Å; F8-V11 PolarHBondContact O-N 3.36Å; R9-V11 PolarHBondContact O-N 2.94Å; V11-N38 HydrophobicContact CG2-CB 4.18Å; V11-N38 PolarHBondContact O-ND2 3.3Å; V11-L42 HydrophobicContact CG2-CD1 3.85Å; V11-L42 HydrophobicContact CG2-CG 4.5Å
12A92.9Very high87.6Confident32 Ų3291.9 Ų91.926%0.26450%0.5SS..  trans-87.1144.8178.400000110.9F8 M35F8-A12 HydrophobicContact CD1-CB 3.87Å; F8-A12 HydrophobicContact CE1-CB 3.54Å; F8-A12 HydrophobicContact CZ-CB 3.96Å; F8-A12 WeakPolarHBondContact O-CB 3.4Å; F8-A12 PolarHBondContact O-N 3.18Å; A12-M35 HydrophobicContact CB-SD 3.94Å
13I92.7Very high89.5Confident95 Ų9586 Ų8649%0.48746%0.463SS..  trans-96.1135.6165.6-61.1173.9000106F15 Y31 M35I13-F15 HydrophobicContact CG2-CD2 4.23Å; I13-F15 HydrophobicContact CG2-CE1 4.39Å; I13-F15 HydrophobicContact CG2-CE2 3.8Å; I13-F15 HydrophobicContact CG2-CZ 3.88Å; I13-Y31 HydrophobicContact CB-CE2 4.31Å; I13-Y31 VanDerWaalsContact O-CE2 3.32Å; I13-Y31 WeakPolarHBondContact O-CE2 3.27Å; I13-Y31 PolarHBondContact O-OH 3.08Å; I13-M35 HydrophobicContact CB-CE 4.32Å; I13-M35 HydrophobicContact CG1-CE 4.37Å
14D90.4Very high90.9Very high145 Ų14583.7 Ų83.778%0.77545%0.453SS*.  trans-112.9134.4174.8-160.410.2000108.1
15F91Very high91.9Very high61 Ų6184.6 Ų84.627%0.26845%0.446SS..  trans-116.3136.2177-73.9-70.2000108.7I13 E19 W20 L23 Y31I13-F15 HydrophobicContact CG2-CD2 4.23Å; I13-F15 HydrophobicContact CG2-CE1 4.39Å; I13-F15 HydrophobicContact CG2-CE2 3.8Å; I13-F15 HydrophobicContact CG2-CZ 3.88Å; F15-E19 HydrophobicContact CB-CB 4.4Å; F15-E19 HydrophobicContact CD1-CB 3.95Å; F15-W20 HydrophobicContact CB-CB 4.34Å; F15-W20 HydrophobicContact CB-CE3 4.11Å; F15-W20 AromaticContact CD2-CE3 3.78Å; F15-W20 HydrophobicContact CD2-CE3 3.78Å; F15-W20 AromaticContact CD2-CZ3 3.99Å; F15-W20 HydrophobicContact CD2-CZ3 3.99Å; F15-W20 HydrophobicContact CG-CE3 4.19Å; F15-L23 HydrophobicContact CD1-CD1 4.37Å; F15-L23 HydrophobicContact CD2-CD1 4.01Å; F15-L23 HydrophobicContact CE1-CD1 4.19Å; F15-L23 HydrophobicContact CE1-CD2 4.14Å; F15-L23 HydrophobicContact CE2-CD1 3.8Å; F15-L23 HydrophobicContact CG-CD1 4.29Å; F15-L23 HydrophobicContact CZ-CD1 3.9Å; F15-L23 HydrophobicContact CZ-CD2 4.17Å; F15-Y31 AromaticContact CD2-CD2 3.83Å; F15-Y31 HydrophobicContact CD2-CD2 3.83Å; F15-Y31 AromaticContact CD2-CE2 3.77Å; F15-Y31 HydrophobicContact CD2-CE2 3.77Å; F15-Y31 AromaticContact CE2-CD2 3.51Å; F15-Y31 HydrophobicContact CE2-CD2 3.51Å; F15-Y31 AromaticContact CE2-CE2 3.88Å; F15-Y31 HydrophobicContact CE2-CE2 3.88Å; F15-Y31 HydrophobicContact CE2-CG 4.26Å
16S90.2Very high92.6Very high45 Ų4586.3 Ų86.332%0.31545%0.448SS..  trans-64.6165.2162.994.10000110.3E18 E19 W20S16-E18 VanDerWaalsContact C-N 3.27Å; S16-E18 VanDerWaalsContact CB-OE2 3.29Å; S16-E18 WeakPolarHBondContact CB-OE2 3.49Å; S16-E18 PolarHBondContact O-N 3.4Å; S16-E18 PolarHBondContact OG-N 3.36Å; S16-E18 PolarHBondContact OG-OE2 3.09Å; S16-E19 PolarHBondContact N-OE2 3.39Å; S16-E19 PolarHBondContact O-N 2.89Å; S16-E19 WeakPolarHBondContact OG-CG 3.29Å; S16-E19 PolarHBondContact OG-N 3.22Å; S16-E19 VanDerWaalsContact OG-N 3.14Å; S16-W20 WeakPolarHBondContact O-CB 3.47Å; S16-W20 PolarHBondContact O-N 3.24Å
17Q90.3Very high93.1Very high90 Ų9087.6 Ų87.642%0.42145%0.449SS..Hα-helixtrans-59.7-43175.5-179.4178.2-14.300110.9W20 E21 W65Q17-W20 PolarHBondContact O-N 3.49Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.39Å; Q17-E21 PolarHBondContact NE2-OE1 2.94Å; Q17-E21 WeakPolarHBondContact O-CG 3.42Å; Q17-E21 PolarHBondContact O-N 3.25Å; Q17-W65 HydrophobicContact CB-CB 4.32Å; Q17-W65 HydrophobicContact CB-CG 4.3Å; Q17-W65 HydrophobicContact CG-CD2 4.44Å; Q17-W65 HydrophobicContact CG-CG 4.05Å
18E93.6Very high93.3Very high123 Ų12388 Ų8858%0.57544%0.444SS*.Hα-helixtrans-65.5-43.2-179.5-54.276.2-166.900111.4S16 W20 E21 C22S16-E18 VanDerWaalsContact C-N 3.27Å; S16-E18 VanDerWaalsContact CB-OE2 3.29Å; S16-E18 WeakPolarHBondContact CB-OE2 3.49Å; S16-E18 PolarHBondContact O-N 3.4Å; S16-E18 PolarHBondContact OG-N 3.36Å; S16-E18 PolarHBondContact OG-OE2 3.09Å; E18-W20 VanDerWaalsContact C-N 3.33Å; E18-W20 PolarHBondContact O-N 2.95Å; E18-E21 PolarHBondContact O-N 3.24Å; E18-C22 PolarHBondContact O-N 3.36Å; E18-C22 PolarHBondContact O-SG 2.88Å; E18-C22 VanDerWaalsContact O-SG 3.4Å
19E94.8Very high93.5Very high106 Ų10691 Ų9150%0.49546%0.464SS..Hα-helixtrans-63.6-41.3176.2-68.5174142.500111.3F15 S16 C22 L23F15-E19 HydrophobicContact CB-CB 4.4Å; F15-E19 HydrophobicContact CD1-CB 3.95Å; S16-E19 PolarHBondContact N-OE2 3.39Å; S16-E19 PolarHBondContact O-N 2.89Å; S16-E19 WeakPolarHBondContact OG-CG 3.29Å; S16-E19 PolarHBondContact OG-N 3.22Å; S16-E19 VanDerWaalsContact OG-N 3.14Å; E19-C22 PolarHBondContact O-N 2.96Å; E19-L23 PolarHBondContact O-N 3.14Å
20W93.1Very high93.8Very high5 Ų585.7 Ų85.72%0.01945%0.451CS..Hα-helixtrans-63.7-43176.8-173.6-80.8000112.5F15 S16 Q17 E18 C22 L23 R28 Y31 E63 P64 W65F15-W20 HydrophobicContact CB-CB 4.34Å; F15-W20 HydrophobicContact CB-CE3 4.11Å; F15-W20 AromaticContact CD2-CE3 3.78Å; F15-W20 HydrophobicContact CD2-CE3 3.78Å; F15-W20 AromaticContact CD2-CZ3 3.99Å; F15-W20 HydrophobicContact CD2-CZ3 3.99Å; F15-W20 HydrophobicContact CG-CE3 4.19Å; S16-W20 WeakPolarHBondContact O-CB 3.47Å; S16-W20 PolarHBondContact O-N 3.24Å; Q17-W20 PolarHBondContact O-N 3.49Å; E18-W20 VanDerWaalsContact C-N 3.33Å; E18-W20 PolarHBondContact O-N 2.95Å; W20-C22 PolarHBondContact O-N 3.34Å; W20-L23 HydrophobicContact CD2-CD1 3.99Å; W20-L23 HydrophobicContact CE3-CD1 3.65Å; W20-L23 HydrophobicContact CG-CD1 4.48Å; W20-L23 HydrophobicContact CZ3-CD1 4.06Å; W20-L23 WeakPolarHBondContact O-CB 3.42Å; W20-L23 PolarHBondContact O-N 3.4Å; W20-R28 HydrophobicContact CD2-CG 4.39Å; W20-R28 HydrophobicContact CH2-CB 4.11Å; W20-R28 HydrophobicContact CH2-CG 4.21Å; W20-R28 HydrophobicContact CZ2-CB 3.67Å; W20-R28 HydrophobicContact CZ2-CG 3.58Å; W20-R28 PolarHBondContact O-NE 3Å; W20-R28 PolarHBondContact O-NH2 3.11Å; W20-Y31 AromaticContact CH2-CD1 3.35Å; W20-Y31 HydrophobicContact CH2-CD1 3.35Å; W20-Y31 AromaticContact CH2-CE1 3.85Å; W20-Y31 HydrophobicContact CH2-CE1 3.85Å; W20-Y31 AromaticContact CH2-CG 3.95Å; W20-Y31 HydrophobicContact CH2-CG 3.95Å; W20-Y31 AromaticContact CZ3-CD1 3.28Å; W20-Y31 HydrophobicContact CZ3-CD1 3.28Å; W20-Y31 HydrophobicContact CZ3-CD2 4.2Å; W20-Y31 AromaticContact CZ3-CE1 3.55Å; W20-Y31 HydrophobicContact CZ3-CE1 3.55Å; W20-Y31 HydrophobicContact CZ3-CE2 4.41Å; W20-Y31 AromaticContact CZ3-CG 3.6Å; W20-Y31 HydrophobicContact CZ3-CG 3.6Å; W20-E63 VanDerWaalsContact CE2-OE2 3.27Å; W20-E63 VanDerWaalsContact CZ2-OE2 3.25Å; W20-E63 WeakPolarHBondContact CZ2-OE2 3.25Å; W20-E63 PolarHBondContact NE1-OE2 2.94Å; W20-P64 HydrophobicContact CE3-CG 4.24Å; W20-P64 HydrophobicContact CH2-CG 3.58Å; W20-P64 HydrophobicContact CZ2-CG 4.04Å; W20-P64 HydrophobicContact CZ3-CG 3.72Å; W20-W65 HydrophobicContact CB-CE3 4.03Å; W20-W65 HydrophobicContact CB-CZ3 4.06Å; W20-W65 AromaticContact CD1-CE3 3.65Å; W20-W65 AromaticContact CD1-CH2 3.01Å; W20-W65 AromaticContact CD1-CZ3 2.8Å; W20-W65 HydrophobicContact CD2-CE3 4.04Å; W20-W65 HydrophobicContact CD2-CH2 4.44Å; W20-W65 AromaticContact CD2-CZ3 3.54Å; W20-W65 HydrophobicContact CD2-CZ3 3.54Å; W20-W65 AromaticContact CE2-CZ3 3.32Å; W20-W65 AromaticContact CG-CE3 3.6Å; W20-W65 HydrophobicContact CG-CE3 3.6Å; W20-W65 AromaticContact CG-CH2 3.86Å; W20-W65 HydrophobicContact CG-CH2 3.86Å; W20-W65 AromaticContact CG-CZ3 3.19Å; W20-W65 HydrophobicContact CG-CZ3 3.19Å; W20-W65 HydrophobicContact CZ2-CZ3 4.17Å; W20-W65 AromaticContact NE1-CH2 3.11Å; W20-W65 AromaticContact NE1-CZ3 2.87Å
21E92.7Very high94.1Very high112 Ų11281.3 Ų81.352%0.52343%0.427SS..Hα-helixtrans-59.1-31.2177.5-77.5176.1-165.800111.8Q17 E18 R28Q17-E21 WeakPolarHBondContact CG-OE1 3.39Å; Q17-E21 PolarHBondContact NE2-OE1 2.94Å; Q17-E21 WeakPolarHBondContact O-CG 3.42Å; Q17-E21 PolarHBondContact O-N 3.25Å; E18-E21 PolarHBondContact O-N 3.24Å; E21-R28 PolarHBondContact O-NH2 3.37Å; E21-R28 VanDerWaalsContact O-NH2 3.09Å
22C95.6Very high94.2Very high99 Ų9981.5 Ų81.567%0.66942%0.422SS*.Hα-helixtrans-76.7-15174-66.60000114.9E18 E19 W20E18-C22 PolarHBondContact O-N 3.36Å; E18-C22 PolarHBondContact O-SG 2.88Å; E18-C22 VanDerWaalsContact O-SG 3.4Å; E19-C22 PolarHBondContact O-N 2.96Å; W20-C22 PolarHBondContact O-N 3.34Å
23L95.3Very high94.4Very high24 Ų2484.1 Ų84.113%0.12643%0.431CS..SBendtrans-70139.5179.1-63.6178.9000111.9F15 E19 W20 Q27 R28F15-L23 HydrophobicContact CD1-CD1 4.37Å; F15-L23 HydrophobicContact CD2-CD1 4.01Å; F15-L23 HydrophobicContact CE1-CD1 4.19Å; F15-L23 HydrophobicContact CE1-CD2 4.14Å; F15-L23 HydrophobicContact CE2-CD1 3.8Å; F15-L23 HydrophobicContact CG-CD1 4.29Å; F15-L23 HydrophobicContact CZ-CD1 3.9Å; F15-L23 HydrophobicContact CZ-CD2 4.17Å; E19-L23 PolarHBondContact O-N 3.14Å; W20-L23 HydrophobicContact CD2-CD1 3.99Å; W20-L23 HydrophobicContact CE3-CD1 3.65Å; W20-L23 HydrophobicContact CG-CD1 4.48Å; W20-L23 HydrophobicContact CZ3-CD1 4.06Å; W20-L23 WeakPolarHBondContact O-CB 3.42Å; W20-L23 PolarHBondContact O-N 3.4Å; L23-Q27 HydrophobicContact CB-CB 4.24Å; L23-Q27 HydrophobicContact CD2-CB 4.28Å; L23-R28 HydrophobicContact CB-CG 3.77Å; L23-R28 HydrophobicContact CD1-CG 4.27Å; L23-R28 PolarHBondContact O-NE 2.63Å; L23-R28 PolarHBondContact O-NH2 3.28Å
24Q97.2Very high94.6Very high121 Ų12181.8 Ų81.857%0.56542%0.421SS*.  trans-70.4154.1170-60.8-54.8-5600110.9D26 Q27 R28Q24-D26 PolarHBondContact O-N 3.34Å; Q24-Q27 HydrophobicContact CB-CG 4.31Å; Q24-Q27 WeakPolarHBondContact O-CA 3Å; Q24-Q27 WeakPolarHBondContact O-CB 3.02Å; Q24-Q27 PolarHBondContact O-N 2.95Å; Q24-R28 PolarHBondContact O-N 3.41Å; Q24-R28 VanDerWaalsContact O-N 3.08Å
25P95.2Very high94.8Very high86 Ų8675 Ų7556%0.55839%0.385SS*.Hα-helixtrans-50.3-43.2178.5-29.236000113.6Q27 R28 T29P25-Q27 VanDerWaalsContact C-N 3.29Å; P25-Q27 PolarHBondContact O-N 3.43Å; P25-R28 PolarHBondContact O-N 2.94Å; P25-T29 PolarHBondContact O-N 3.25Å; P25-T29 PolarHBondContact O-OG1 2.87Å
26D96.7Very high95.1Very high134 Ų13474.2 Ų74.272%0.71738%0.383SS*.Hα-helixtrans-64.7-33.6179.3-60.1-22.3000112.5Q24 L30Q24-D26 PolarHBondContact O-N 3.34Å; D26-L30 WeakPolarHBondContact O-CB 3.25Å; D26-L30 PolarHBondContact O-N 3.42Å
27Q96.6Very high95.4Very high100 Ų10077.1 Ų77.147%0.46739%0.392SS..Hα-helixtrans-71.4-36176.1-64.7178.2-52.100111.6L23 Q24 P25 L30 Y31L23-Q27 HydrophobicContact CB-CB 4.24Å; L23-Q27 HydrophobicContact CD2-CB 4.28Å; Q24-Q27 HydrophobicContact CB-CG 4.31Å; Q24-Q27 WeakPolarHBondContact O-CA 3Å; Q24-Q27 WeakPolarHBondContact O-CB 3.02Å; Q24-Q27 PolarHBondContact O-N 2.95Å; P25-Q27 VanDerWaalsContact C-N 3.29Å; P25-Q27 PolarHBondContact O-N 3.43Å; Q27-L30 PolarHBondContact O-N 3.42Å; Q27-Y31 WeakPolarHBondContact O-CB 3.23Å; Q27-Y31 PolarHBondContact O-N 3.47Å
28R95.3Very high95.6Very high68 Ų6874.5 Ų74.526%0.25738%0.381SS..Hα-helixtrans-67.2-41.7175.3-64.3-179.8-179.71696.9111.4W20 E21 L23 Q24 P25 Y31 R32W20-R28 HydrophobicContact CD2-CG 4.39Å; W20-R28 HydrophobicContact CH2-CB 4.11Å; W20-R28 HydrophobicContact CH2-CG 4.21Å; W20-R28 HydrophobicContact CZ2-CB 3.67Å; W20-R28 HydrophobicContact CZ2-CG 3.58Å; W20-R28 PolarHBondContact O-NE 3Å; W20-R28 PolarHBondContact O-NH2 3.11Å; E21-R28 PolarHBondContact O-NH2 3.37Å; E21-R28 VanDerWaalsContact O-NH2 3.09Å; L23-R28 HydrophobicContact CB-CG 3.77Å; L23-R28 HydrophobicContact CD1-CG 4.27Å; L23-R28 PolarHBondContact O-NE 2.63Å; L23-R28 PolarHBondContact O-NH2 3.28Å; Q24-R28 PolarHBondContact O-N 3.41Å; Q24-R28 VanDerWaalsContact O-N 3.08Å; P25-R28 PolarHBondContact O-N 2.94Å; R28-Y31 PolarHBondContact O-N 3.44Å; R28-R32 PolarHBondContact O-N 2.91Å
29T95.9Very high95.7Very high80 Ų8070.5 Ų70.549%0.49136%0.361SS..Hα-helixtrans-60.8-48.8172.1-60.70000110.9P25 Y31 R32 D33P25-T29 PolarHBondContact O-N 3.25Å; P25-T29 PolarHBondContact O-OG1 2.87Å; T29-Y31 VanDerWaalsContact C-N 3.33Å; T29-Y31 PolarHBondContact O-N 2.98Å; T29-R32 WeakPolarHBondContact O-CB 3.32Å; T29-R32 PolarHBondContact O-N 3.17Å; T29-R32 VanDerWaalsContact O-N 3.11Å; T29-D33 PolarHBondContact O-N 3.03Å
30L97Very high95.7Very high109 Ų10968.5 Ų68.557%0.57136%0.358SS*.Hα-helixtrans-59.1-44.2177.8179.363.4000112D26 Q27 R32 D33 V34D26-L30 WeakPolarHBondContact O-CB 3.25Å; D26-L30 PolarHBondContact O-N 3.42Å; Q27-L30 PolarHBondContact O-N 3.42Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 2.97Å; L30-D33 PolarHBondContact O-N 3.35Å; L30-V34 HydrophobicContact CD1-CG2 3.87Å; L30-V34 HydrophobicContact CG-CG2 4.25Å; L30-V34 WeakPolarHBondContact O-CB 3.41Å; L30-V34 VanDerWaalsContact O-CG2 3.25Å; L30-V34 WeakPolarHBondContact O-CG2 3.24Å; L30-V34 PolarHBondContact O-N 3.25Å
31Y96.2Very high95.8Very high16 Ų1672.6 Ų72.66%0.06338%0.378CS..Hα-helixtrans-56.3-47.7175.2170.7-91.2000111.4I13 F15 W20 Q27 R28 T29 D33 V34 M35 L58 P64I13-Y31 HydrophobicContact CB-CE2 4.31Å; I13-Y31 VanDerWaalsContact O-CE2 3.32Å; I13-Y31 WeakPolarHBondContact O-CE2 3.27Å; I13-Y31 PolarHBondContact O-OH 3.08Å; F15-Y31 AromaticContact CD2-CD2 3.83Å; F15-Y31 HydrophobicContact CD2-CD2 3.83Å; F15-Y31 AromaticContact CD2-CE2 3.77Å; F15-Y31 HydrophobicContact CD2-CE2 3.77Å; F15-Y31 AromaticContact CE2-CD2 3.51Å; F15-Y31 HydrophobicContact CE2-CD2 3.51Å; F15-Y31 AromaticContact CE2-CE2 3.88Å; F15-Y31 HydrophobicContact CE2-CE2 3.88Å; F15-Y31 HydrophobicContact CE2-CG 4.26Å; W20-Y31 AromaticContact CH2-CD1 3.35Å; W20-Y31 HydrophobicContact CH2-CD1 3.35Å; W20-Y31 AromaticContact CH2-CE1 3.85Å; W20-Y31 HydrophobicContact CH2-CE1 3.85Å; W20-Y31 AromaticContact CH2-CG 3.95Å; W20-Y31 HydrophobicContact CH2-CG 3.95Å; W20-Y31 AromaticContact CZ3-CD1 3.28Å; W20-Y31 HydrophobicContact CZ3-CD1 3.28Å; W20-Y31 HydrophobicContact CZ3-CD2 4.2Å; W20-Y31 AromaticContact CZ3-CE1 3.55Å; W20-Y31 HydrophobicContact CZ3-CE1 3.55Å; W20-Y31 HydrophobicContact CZ3-CE2 4.41Å; W20-Y31 AromaticContact CZ3-CG 3.6Å; W20-Y31 HydrophobicContact CZ3-CG 3.6Å; Q27-Y31 WeakPolarHBondContact O-CB 3.23Å; Q27-Y31 PolarHBondContact O-N 3.47Å; R28-Y31 PolarHBondContact O-N 3.44Å; T29-Y31 VanDerWaalsContact C-N 3.33Å; T29-Y31 PolarHBondContact O-N 2.98Å; Y31-D33 PolarHBondContact O-N 2.78Å; Y31-V34 PolarHBondContact O-N 2.86Å; Y31-M35 HydrophobicContact CD1-CG 4.08Å; Y31-M35 HydrophobicContact CD2-CG 3.87Å; Y31-M35 HydrophobicContact CE1-CG 3.76Å; Y31-M35 HydrophobicContact CE2-CE 4.41Å; Y31-M35 HydrophobicContact CE2-CG 3.53Å; Y31-M35 HydrophobicContact CE2-SD 3.99Å; Y31-M35 HydrophobicContact CG-CG 4.18Å; Y31-M35 VanDerWaalsContact CZ-CG 3.49Å; Y31-M35 WeakPolarHBondContact O-CB 3.24Å; Y31-M35 VanDerWaalsContact O-CG 3.24Å; Y31-M35 WeakPolarHBondContact O-CG 3.28Å; Y31-M35 PolarHBondContact O-N 3.48Å; Y31-L58 HydrophobicContact CD1-CD1 4.38Å; Y31-L58 HydrophobicContact CD1-CD2 4.23Å; Y31-L58 HydrophobicContact CE1-CD1 3.87Å; Y31-L58 HydrophobicContact CE1-CD2 4.06Å; Y31-L58 HydrophobicContact CE1-CG 4.47Å; Y31-P64 HydrophobicContact CD1-CG 4.3Å; Y31-P64 HydrophobicContact CE1-CB 4.32Å; Y31-P64 HydrophobicContact CE1-CG 3.56Å
32R95.9Very high95.7Very high60 Ų6067.6 Ų67.623%0.22635%0.354CS..Hα-helixtrans-57.6-50.3179.2174.2174.2-177.9-172.5-4.8111.2R28 T29 L30 M35 L36 L58 E61R28-R32 PolarHBondContact O-N 2.91Å; T29-R32 WeakPolarHBondContact O-CB 3.32Å; T29-R32 PolarHBondContact O-N 3.17Å; T29-R32 VanDerWaalsContact O-N 3.11Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 2.97Å; R32-M35 PolarHBondContact O-N 3.04Å; R32-L36 HydrophobicContact CG-CD1 3.87Å; R32-L36 WeakPolarHBondContact O-CB 3.29Å; R32-L36 VanDerWaalsContact O-CG 3.28Å; R32-L36 WeakPolarHBondContact O-CG 3.34Å; R32-L36 PolarHBondContact O-N 3.42Å; R32-L58 HydrophobicContact CB-CD2 3.98Å; R32-L58 HydrophobicContact CG-CB 4.3Å; R32-L58 HydrophobicContact CG-CD2 4.03Å; R32-L58 PolarHBondContact NE-O 3.37Å; R32-L58 PolarHBondContact NH2-O 3.46Å; R32-L58 VanDerWaalsContact NH2-O 3.11Å; R32-E61 IonicContact CZ-OE1 3.8Å; R32-E61 VanDerWaalsContact CZ-OE1 3.26Å; R32-E61 VanDerWaalsContact NH1-CB 3.32Å; R32-E61 VanDerWaalsContact NH1-CD 3.28Å; R32-E61 IonicContact NH1-OE1 3.26Å; R32-E61 PolarHBondContact NH1-OE1 3.45Å; R32-E61 VanDerWaalsContact NH2-CG 3.33Å; R32-E61 IonicContact NH2-OE1 2.85Å; R32-E61 PolarHBondContact NH2-OE1 3.36Å
33D96.8Very high95.5Very high87 Ų8766.5 Ų66.547%0.46534%0.341SS..Hα-helixtrans-61.3-48.9-178.2-67.8-18.6000110.9T29 L30 Y31 M35 L36 E37T29-D33 PolarHBondContact O-N 3.03Å; L30-D33 PolarHBondContact O-N 3.35Å; Y31-D33 PolarHBondContact O-N 2.78Å; D33-M35 PolarHBondContact O-N 2.86Å; D33-L36 PolarHBondContact O-N 3.45Å; D33-E37 VanDerWaalsContact O-CB 3.27Å; D33-E37 WeakPolarHBondContact O-CB 3.47Å; D33-E37 PolarHBondContact O-N 2.97Å
34V96.4Very high95.3Very high47 Ų4769.8 Ų69.829%0.28537%0.366SS..Hα-helixtrans-63.8-41.4-179.6174.80000111.6L30 Y31 E37 N38L30-V34 HydrophobicContact CD1-CG2 3.87Å; L30-V34 HydrophobicContact CG-CG2 4.25Å; L30-V34 WeakPolarHBondContact O-CB 3.41Å; L30-V34 VanDerWaalsContact O-CG2 3.25Å; L30-V34 WeakPolarHBondContact O-CG2 3.24Å; L30-V34 PolarHBondContact O-N 3.25Å; Y31-V34 PolarHBondContact O-N 2.86Å; V34-E37 PolarHBondContact O-N 2.89Å; V34-N38 VanDerWaalsContact O-CB 3.29Å; V34-N38 WeakPolarHBondContact O-CB 3.4Å; V34-N38 PolarHBondContact O-N 3.41Å; V34-N38 PolarHBondContact O-OD1 3.12Å
35M95.8Very high94.9Very high2 Ų270.6 Ų70.61%0.0137%0.374CS..Hα-helixtrans-68.1-40179.6-71.9-57103.500112.3F8 A12 I13 Y31 R32 D33 Y39 I55 L58F8-M35 HydrophobicContact CZ-SD 4.1Å; A12-M35 HydrophobicContact CB-SD 3.94Å; I13-M35 HydrophobicContact CB-CE 4.32Å; I13-M35 HydrophobicContact CG1-CE 4.37Å; Y31-M35 HydrophobicContact CD1-CG 4.08Å; Y31-M35 HydrophobicContact CD2-CG 3.87Å; Y31-M35 HydrophobicContact CE1-CG 3.76Å; Y31-M35 HydrophobicContact CE2-CE 4.41Å; Y31-M35 HydrophobicContact CE2-CG 3.53Å; Y31-M35 HydrophobicContact CE2-SD 3.99Å; Y31-M35 HydrophobicContact CG-CG 4.18Å; Y31-M35 VanDerWaalsContact CZ-CG 3.49Å; Y31-M35 WeakPolarHBondContact O-CB 3.24Å; Y31-M35 VanDerWaalsContact O-CG 3.24Å; Y31-M35 WeakPolarHBondContact O-CG 3.28Å; Y31-M35 PolarHBondContact O-N 3.48Å; R32-M35 PolarHBondContact O-N 3.04Å; D33-M35 PolarHBondContact O-N 2.86Å; M35-Y39 PolarHBondContact O-N 3.08Å; M35-Y39 VanDerWaalsContact O-N 3.08Å; M35-I55 HydrophobicContact CB-CD1 4.32Å; M35-I55 WeakPolarHBondContact O-CD1 3.35Å; M35-L58 HydrophobicContact CB-CD1 3.55Å; M35-L58 HydrophobicContact CG-CD1 4.16Å
36L95.9Very high94.3Very high44 Ų4469.5 Ų69.523%0.2338%0.378CS..Hα-helixtrans-66.6-42.5175.8-69.9173.3000111.4R32 D33 Y39 S40 I55 L58 E59R32-L36 HydrophobicContact CG-CD1 3.87Å; R32-L36 WeakPolarHBondContact O-CB 3.29Å; R32-L36 VanDerWaalsContact O-CG 3.28Å; R32-L36 WeakPolarHBondContact O-CG 3.34Å; R32-L36 PolarHBondContact O-N 3.42Å; D33-L36 PolarHBondContact O-N 3.45Å; L36-Y39 PolarHBondContact O-N 3.3Å; L36-S40 PolarHBondContact O-N 3.22Å; L36-I55 HydrophobicContact CD2-CD1 4.47Å; L36-I55 HydrophobicContact CD2-CG2 4.22Å; L36-L58 HydrophobicContact CD2-CB 4.16Å; L36-L58 HydrophobicContact CG-CB 4.36Å; L36-E59 HydrophobicContact CD2-CG 3.68Å
37E96.9Very high93.6Very high106 Ų10664.2 Ų64.250%0.49535%0.352SS..Hα-helixtrans-62.1-46.5175.6-177.7174.3-162.100111.3D33 V34 Y39 S40 H41D33-E37 VanDerWaalsContact O-CB 3.27Å; D33-E37 WeakPolarHBondContact O-CB 3.47Å; D33-E37 PolarHBondContact O-N 2.97Å; V34-E37 PolarHBondContact O-N 2.89Å; E37-Y39 VanDerWaalsContact C-N 3.33Å; E37-Y39 PolarHBondContact O-N 2.91Å; E37-S40 WeakPolarHBondContact O-CB 3.43Å; E37-S40 PolarHBondContact O-N 3.21Å; E37-S40 VanDerWaalsContact O-N 3.16Å; E37-H41 WeakPolarHBondContact CG-CE1 3.28Å; E37-H41 VanDerWaalsContact O-CG 3.29Å; E37-H41 PolarHBondContact O-N 3.48Å; E37-H41 PolarHBondContact O-ND1 3.2Å; E37-H41 IonicContact OE1-CE1 3.25Å; E37-H41 PolarHBondContact OE1-CE1 2.98Å; E37-H41 VanDerWaalsContact OE1-CE1 3.25Å; E37-H41 IonicContact OE1-NE2 2.78Å
38N95.3Very high92.9Very high36 Ų3665.6 Ų65.619%0.19337%0.372CS..Hα-helixtrans-57.9-44.4176.3-76.5-7.9000111.9F8 V11 V34 H41 L42F8-N38 HydrophobicContact CE2-CB 4.37Å; V11-N38 HydrophobicContact CG2-CB 4.18Å; V11-N38 PolarHBondContact O-ND2 3.3Å; V34-N38 VanDerWaalsContact O-CB 3.29Å; V34-N38 WeakPolarHBondContact O-CB 3.4Å; V34-N38 PolarHBondContact O-N 3.41Å; V34-N38 PolarHBondContact O-OD1 3.12Å; N38-H41 PolarHBondContact O-N 3.17Å; N38-L42 WeakPolarHBondContact O-CG 3.17Å; N38-L42 PolarHBondContact O-N 2.93Å; N38-L42 VanDerWaalsContact O-N 3.08Å
39Y95.2Very high92.4Very high38 Ų3864.1 Ų64.115%0.14937%0.369CS..Hα-helixtrans-62.2-46.5176177.4-105.7000111.8F8 M35 L36 E37 H41 L42 I43 K51 P52 I55F8-Y39 HydrophobicContact CD2-CD2 4.37Å; M35-Y39 PolarHBondContact O-N 3.08Å; M35-Y39 VanDerWaalsContact O-N 3.08Å; L36-Y39 PolarHBondContact O-N 3.3Å; E37-Y39 VanDerWaalsContact C-N 3.33Å; E37-Y39 PolarHBondContact O-N 2.91Å; Y39-H41 VanDerWaalsContact C-N 3.32Å; Y39-H41 PolarHBondContact O-N 3.34Å; Y39-L42 PolarHBondContact O-N 2.85Å; Y39-I43 HydrophobicContact CD1-CG1 4.45Å; Y39-I43 HydrophobicContact CE1-CG1 4.01Å; Y39-I43 HydrophobicContact CE2-CD1 4.11Å; Y39-I43 HydrophobicContact CE2-CG1 4.13Å; Y39-I43 WeakPolarHBondContact O-CG1 3.5Å; Y39-I43 PolarHBondContact O-N 3.07Å; Y39-I43 VanDerWaalsContact O-N 3.08Å; Y39-K51 HydrophobicContact CE1-CG 4.42Å; Y39-K51 HydrophobicContact CE2-CG 4.45Å; Y39-K51 WeakPolarHBondContact OH-CB 3.28Å; Y39-P52 HydrophobicContact CD2-CG 4.48Å; Y39-I55 HydrophobicContact CD1-CG2 3.79Å; Y39-I55 HydrophobicContact CD2-CG1 4.11Å; Y39-I55 HydrophobicContact CE1-CG2 4.16Å; Y39-I55 HydrophobicContact CG-CD1 4.27Å; Y39-I55 HydrophobicContact CG-CG1 3.96Å; Y39-I55 HydrophobicContact CG-CG2 3.99Å
40S94.6Very high92.1Very high64 Ų6465.3 Ų65.345%0.44838%0.381SS..Hα-helixtrans-58.6-43177.6-175.90000112.5L36 E37 I43 S44L36-S40 PolarHBondContact O-N 3.22Å; E37-S40 WeakPolarHBondContact O-CB 3.43Å; E37-S40 PolarHBondContact O-N 3.21Å; E37-S40 VanDerWaalsContact O-N 3.16Å; S40-I43 PolarHBondContact O-N 2.75Å; S40-S44 WeakPolarHBondContact O-CB 3.41Å; S40-S44 PolarHBondContact O-N 2.66Å; S40-S44 PolarHBondContact O-OG 3.14Å
41H94.5Very high91.8Very high91 Ų9164.3 Ų64.342%0.42137%0.372SS..Hα-helixtrans-62.6-43.6176.6-70.1159.7000112.2E37 N38 Y39 I43 S44 L45E37-H41 WeakPolarHBondContact CG-CE1 3.28Å; E37-H41 VanDerWaalsContact O-CG 3.29Å; E37-H41 PolarHBondContact O-N 3.48Å; E37-H41 PolarHBondContact O-ND1 3.2Å; E37-H41 IonicContact OE1-CE1 3.25Å; E37-H41 PolarHBondContact OE1-CE1 2.98Å; E37-H41 VanDerWaalsContact OE1-CE1 3.25Å; E37-H41 IonicContact OE1-NE2 2.78Å; N38-H41 PolarHBondContact O-N 3.17Å; Y39-H41 VanDerWaalsContact C-N 3.32Å; Y39-H41 PolarHBondContact O-N 3.34Å; H41-I43 VanDerWaalsContact C-N 3.34Å; H41-I43 PolarHBondContact O-N 3.2Å; H41-S44 WeakPolarHBondContact O-CB 3.36Å; H41-S44 PolarHBondContact O-N 3.29Å; H41-S44 VanDerWaalsContact O-N 3.14Å; H41-L45 VanDerWaalsContact O-CG 3.28Å; H41-L45 WeakPolarHBondContact O-CG 3.44Å; H41-L45 PolarHBondContact O-N 3.05Å
42L92.2Very high91.6Very high7 Ų764.9 Ų64.94%0.03738%0.377CS..Hα-helixtrans-63.7-39.6177.6-67.7171.5000112.4V6 F8 V11 N38 Y39 S44 L45 S47 I49V6-L42 HydrophobicContact CB-CD2 4.49Å; V6-L42 HydrophobicContact CG1-CD2 3.98Å; F8-L42 VanDerWaalsContact CA-CD1 3.47Å; F8-L42 HydrophobicContact CB-CD1 3.9Å; F8-L42 HydrophobicContact CD2-CD1 3.92Å; F8-L42 HydrophobicContact CG-CD1 4.41Å; V11-L42 HydrophobicContact CG2-CD1 3.85Å; V11-L42 HydrophobicContact CG2-CG 4.5Å; N38-L42 WeakPolarHBondContact O-CG 3.17Å; N38-L42 PolarHBondContact O-N 2.93Å; N38-L42 VanDerWaalsContact O-N 3.08Å; Y39-L42 PolarHBondContact O-N 2.85Å; L42-S44 VanDerWaalsContact C-N 3.31Å; L42-L45 PolarHBondContact O-N 3.44Å; L42-S47 WeakPolarHBondContact O-CB 3.34Å; L42-S47 PolarHBondContact O-N 3.11Å; L42-S47 VanDerWaalsContact O-N 3.1Å; L42-S47 PolarHBondContact O-OG 2.91Å; L42-I49 HydrophobicContact CB-CD1 3.84Å; L42-I49 HydrophobicContact CD1-CD1 3.75Å; L42-I49 HydrophobicContact CD2-CD1 4.44Å; L42-I49 HydrophobicContact CG-CD1 4.24Å
43I90.9Very high91.4Very high76 Ų7666.7 Ų66.739%0.3939%0.392SS..Hα-helixtrans-62.7-42.1173.3-63.8-60.3000110.6Y39 S40 H41 L45 G46Y39-I43 HydrophobicContact CD1-CG1 4.45Å; Y39-I43 HydrophobicContact CE1-CG1 4.01Å; Y39-I43 HydrophobicContact CE2-CD1 4.11Å; Y39-I43 HydrophobicContact CE2-CG1 4.13Å; Y39-I43 WeakPolarHBondContact O-CG1 3.5Å; Y39-I43 PolarHBondContact O-N 3.07Å; Y39-I43 VanDerWaalsContact O-N 3.08Å; S40-I43 PolarHBondContact O-N 2.75Å; H41-I43 VanDerWaalsContact C-N 3.34Å; H41-I43 PolarHBondContact O-N 3.2Å; I43-L45 VanDerWaalsContact C-N 3.29Å; I43-L45 PolarHBondContact O-N 3.23Å; I43-G46 PolarHBondContact O-N 3.08Å
44S90.8Very high91.2Very high94 Ų9463.9 Ų63.966%0.65738%0.378SS*.Hα-helixtrans-66.2-30.6179.6-600000113.1S40 H41 L42 G46S40-S44 WeakPolarHBondContact O-CB 3.41Å; S40-S44 PolarHBondContact O-N 2.66Å; S40-S44 PolarHBondContact O-OG 3.14Å; H41-S44 WeakPolarHBondContact O-CB 3.36Å; H41-S44 PolarHBondContact O-N 3.29Å; H41-S44 VanDerWaalsContact O-N 3.14Å; L42-S44 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 3.4Å
45L89.3Confident91.1Very high137 Ų13761.7 Ų61.772%0.71736%0.364SS*.THydrogen-bonded Turntrans-74.60173.5-68.6171.3000113.2H41 L42 I43 S47H41-L45 VanDerWaalsContact O-CG 3.28Å; H41-L45 WeakPolarHBondContact O-CG 3.44Å; H41-L45 PolarHBondContact O-N 3.05Å; L42-L45 PolarHBondContact O-N 3.44Å; I43-L45 VanDerWaalsContact C-N 3.29Å; I43-L45 PolarHBondContact O-N 3.23Å; L45-S47 VanDerWaalsContact C-N 3.31Å
46G82.2Confident91.1Very high63 Ų6363.8 Ų63.865%0.64938%0.377SS*.THydrogen-bonded Turntrans78.614.8-179.300000113.4I43 S44 S48I43-G46 PolarHBondContact O-N 3.08Å; S44-G46 PolarHBondContact O-N 3.4Å; G46-S48 PolarHBondContact O-N 3.44Å
47S81.4Confident91Very high24 Ų2462.7 Ų62.717%0.16837%0.371CS..  trans-68.9119.5174.8-590000109.5L42 L45 I49L42-S47 WeakPolarHBondContact O-CB 3.34Å; L42-S47 PolarHBondContact O-N 3.11Å; L42-S47 VanDerWaalsContact O-N 3.1Å; L42-S47 PolarHBondContact O-OG 2.91Å; L45-S47 VanDerWaalsContact C-N 3.31Å; S47-I49 PolarHBondContact O-N 2.88Å
48S81.9Confident90.8Very high128 Ų12857.9 Ų57.990%0.89535%0.349SS*.  trans-77.273.817559.50000110.4G46G46-S48 PolarHBondContact O-N 3.44Å
49I84.8Confident90.8Very high38 Ų3860.4 Ų60.420%0.19536%0.359CS..  trans-104.3130.1-177-60.7174.7000109.2F8 L42 S47F8-I49 HydrophobicContact CB-CG2 4.42Å; L42-I49 HydrophobicContact CB-CD1 3.84Å; L42-I49 HydrophobicContact CD1-CD1 3.75Å; L42-I49 HydrophobicContact CD2-CD1 4.44Å; L42-I49 HydrophobicContact CG-CD1 4.24Å; S47-I49 PolarHBondContact O-N 2.88Å
50S89.6Confident90.7Very high104 Ų10463.2 Ų63.273%0.72737%0.374SS*.PPolyproline II helixtrans-66.1137.516956.60000110P52S50-P52 WeakPolarHBondContact O-CD 3.43Å; S50-P52 VanDerWaalsContact O-N 3.15Å
51K91.8Very high90.5Very high89 Ų8967 Ų6739%0.38739%0.385SS..PPolyproline II helixtrans-56.9117.5179.5-168.6169.8-170.9164.10111.5Y39 I55 E59Y39-K51 HydrophobicContact CE1-CG 4.42Å; Y39-K51 HydrophobicContact CE2-CG 4.45Å; Y39-K51 WeakPolarHBondContact OH-CB 3.28Å; K51-I55 HydrophobicContact CG-CB 4.4Å; K51-I55 HydrophobicContact CG-CG2 4.11Å; K51-E59 VanDerWaalsContact CE-CD 3.49Å; K51-E59 WeakPolarHBondContact CE-OE1 3.49Å; K51-E59 WeakPolarHBondContact CE-OE2 3.4Å; K51-E59 IonicContact NZ-OE1 2.72Å; K51-E59 PolarHBondContact NZ-OE1 2.94Å; K51-E59 IonicContact NZ-OE2 2.59Å; K51-E59 PolarHBondContact NZ-OE2 2.89Å
52P91.9Very high90.3Very high27 Ų2767.2 Ų67.218%0.17538%0.384CS..PPolyproline II helixtrans-66.3150.3178.7-20.732.5000112.5F8 Y39 S50 V54 I55 T56F8-P52 HydrophobicContact CB-CG 4.19Å; F8-P52 HydrophobicContact CD1-CB 4.16Å; F8-P52 HydrophobicContact CD1-CG 3.6Å; F8-P52 HydrophobicContact CD2-CG 4.44Å; F8-P52 HydrophobicContact CE1-CB 4.33Å; F8-P52 HydrophobicContact CE1-CG 4.09Å; F8-P52 HydrophobicContact CG-CG 3.81Å; Y39-P52 HydrophobicContact CD2-CG 4.48Å; S50-P52 WeakPolarHBondContact O-CD 3.43Å; S50-P52 VanDerWaalsContact O-N 3.15Å; P52-V54 VanDerWaalsContact C-N 3.28Å; P52-V54 HydrophobicContact CB-CG1 3.98Å; P52-V54 PolarHBondContact O-N 3.35Å; P52-I55 HydrophobicContact CB-CB 4.45Å; P52-I55 HydrophobicContact CB-CG1 4.07Å; P52-I55 HydrophobicContact CG-CG1 3.93Å; P52-I55 WeakPolarHBondContact O-CB 3.38Å; P52-I55 PolarHBondContact O-N 3.16Å; P52-I55 VanDerWaalsContact O-N 3.12Å; P52-T56 PolarHBondContact O-N 3.02Å; P52-T56 VanDerWaalsContact O-N 3.14Å; P52-T56 PolarHBondContact O-OG1 2.92Å
53D91.8Very high90.1Very high99 Ų9970 Ų7053%0.52940%0.397SS..Hα-helixtrans-59.5-40.5177.1-70.8-32.5000111.9I55 T56 L57 V67D53-I55 VanDerWaalsContact C-N 3.29Å; D53-I55 PolarHBondContact O-N 3.37Å; D53-T56 WeakPolarHBondContact O-CB 3.34Å; D53-T56 PolarHBondContact O-N 3.35Å; D53-T56 VanDerWaalsContact O-N 3.09Å; D53-L57 WeakPolarHBondContact O-CG 3.48Å; D53-L57 PolarHBondContact O-N 3.21Å; D53-V67 HydrophobicContact CB-CB 4.47Å; D53-V67 HydrophobicContact CB-CG1 3.69Å; D53-V67 HydrophobicContact CB-CG2 3.88Å
54V92.3Very high89.8Confident28 Ų2867.1 Ų67.117%0.1738%0.384CS..Hα-helixtrans-59.1-39.7176.464.30000112.1F8 P52 T56 L57 L58 P64F8-V54 HydrophobicContact CE1-CG1 3.81Å; F8-V54 HydrophobicContact CZ-CG1 4.4Å; P52-V54 VanDerWaalsContact C-N 3.28Å; P52-V54 HydrophobicContact CB-CG1 3.98Å; P52-V54 PolarHBondContact O-N 3.35Å; V54-T56 VanDerWaalsContact C-N 3.34Å; V54-T56 PolarHBondContact O-N 3.46Å; V54-L57 PolarHBondContact O-N 3.08Å; V54-L58 HydrophobicContact CG2-CD1 4.12Å; V54-L58 HydrophobicContact CG2-CG 4.35Å; V54-L58 WeakPolarHBondContact O-CB 3.46Å; V54-L58 VanDerWaalsContact O-CG 3.24Å; V54-L58 WeakPolarHBondContact O-CG 3.2Å; V54-L58 PolarHBondContact O-N 2.98Å; V54-P64 HydrophobicContact CG2-CB 3.95Å; V54-P64 HydrophobicContact CG2-CG 4.43Å
55I95.1Very high89.3Confident0 Ų066.8 Ų66.80%037%0.368CS..Hα-helixtrans-64.6-42.1175.7-65.3-56.4000110.6F8 M35 L36 Y39 K51 P52 D53 L57 L58 E59F8-I55 HydrophobicContact CE1-CD1 4.36Å; F8-I55 HydrophobicContact CE1-CG1 4.32Å; F8-I55 HydrophobicContact CE2-CD1 3.71Å; F8-I55 HydrophobicContact CE2-CG1 4.07Å; F8-I55 HydrophobicContact CZ-CD1 3.47Å; F8-I55 VanDerWaalsContact CZ-CD1 3.47Å; F8-I55 HydrophobicContact CZ-CG1 3.84Å; M35-I55 HydrophobicContact CB-CD1 4.32Å; M35-I55 WeakPolarHBondContact O-CD1 3.35Å; L36-I55 HydrophobicContact CD2-CD1 4.47Å; L36-I55 HydrophobicContact CD2-CG2 4.22Å; Y39-I55 HydrophobicContact CD1-CG2 3.79Å; Y39-I55 HydrophobicContact CD2-CG1 4.11Å; Y39-I55 HydrophobicContact CE1-CG2 4.16Å; Y39-I55 HydrophobicContact CG-CD1 4.27Å; Y39-I55 HydrophobicContact CG-CG1 3.96Å; Y39-I55 HydrophobicContact CG-CG2 3.99Å; K51-I55 HydrophobicContact CG-CB 4.4Å; K51-I55 HydrophobicContact CG-CG2 4.11Å; P52-I55 HydrophobicContact CB-CB 4.45Å; P52-I55 HydrophobicContact CB-CG1 4.07Å; P52-I55 HydrophobicContact CG-CG1 3.93Å; P52-I55 WeakPolarHBondContact O-CB 3.38Å; P52-I55 PolarHBondContact O-N 3.16Å; P52-I55 VanDerWaalsContact O-N 3.12Å; D53-I55 VanDerWaalsContact C-N 3.29Å; D53-I55 PolarHBondContact O-N 3.37Å; I55-L57 VanDerWaalsContact C-N 3.31Å; I55-L57 PolarHBondContact O-N 3Å; I55-L58 PolarHBondContact O-N 3.38Å; I55-E59 WeakPolarHBondContact O-CG 3.46Å; I55-E59 PolarHBondContact O-N 3.42Å
56T94.1Very high88.7Confident46 Ų4665.1 Ų65.128%0.28236%0.358SS..Hα-helixtrans-63.4-37177.9-560000112.2P52 D53 V54 Q60P52-T56 PolarHBondContact O-N 3.02Å; P52-T56 VanDerWaalsContact O-N 3.14Å; P52-T56 PolarHBondContact O-OG1 2.92Å; D53-T56 WeakPolarHBondContact O-CB 3.34Å; D53-T56 PolarHBondContact O-N 3.35Å; D53-T56 VanDerWaalsContact O-N 3.09Å; V54-T56 VanDerWaalsContact C-N 3.34Å; V54-T56 PolarHBondContact O-N 3.46Å; T56-Q60 WeakPolarHBondContact O-CG 3.43Å; T56-Q60 PolarHBondContact O-NE2 3.1Å
57L93.8Very high88.4Confident22 Ų2264.5 Ų64.512%0.11534%0.341CS..Hα-helixtrans-69.4-47175.1-69.1174.5000111.7D53 V54 I55 E59 Q60 E61 K62 M66 V67D53-L57 WeakPolarHBondContact O-CG 3.48Å; D53-L57 PolarHBondContact O-N 3.21Å; V54-L57 PolarHBondContact O-N 3.08Å; I55-L57 VanDerWaalsContact C-N 3.31Å; I55-L57 PolarHBondContact O-N 3Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 3.38Å; L57-Q60 CarbonylContact O-C 3.43Å; L57-Q60 WeakPolarHBondContact O-CA 3.46Å; L57-Q60 WeakPolarHBondContact O-CB 3.43Å; L57-Q60 PolarHBondContact O-N 3.21Å; L57-E61 PolarHBondContact O-N 3.14Å; L57-K62 HydrophobicContact CB-CB 4.11Å; L57-K62 HydrophobicContact CD2-CB 3.95Å; L57-K62 HydrophobicContact CD2-CD 3.98Å; L57-K62 WeakPolarHBondContact O-CB 3.41Å; L57-K62 PolarHBondContact O-N 3.37Å; L57-M66 HydrophobicContact CD1-CB 4.34Å; L57-V67 HydrophobicContact CD1-CB 4.23Å; L57-V67 HydrophobicContact CD1-CG2 3.35Å; L57-V67 HydrophobicContact CG-CG2 4.49Å
58L94.4Very high87.3Confident4 Ų468.8 Ų68.82%0.02137%0.366CS..Hα-helixtrans-61.7-38.3-179.1-73177000112.5Y31 R32 M35 L36 V54 I55 Q60 E61 P64Y31-L58 HydrophobicContact CD1-CD1 4.38Å; Y31-L58 HydrophobicContact CD1-CD2 4.23Å; Y31-L58 HydrophobicContact CE1-CD1 3.87Å; Y31-L58 HydrophobicContact CE1-CD2 4.06Å; Y31-L58 HydrophobicContact CE1-CG 4.47Å; R32-L58 HydrophobicContact CB-CD2 3.98Å; R32-L58 HydrophobicContact CG-CB 4.3Å; R32-L58 HydrophobicContact CG-CD2 4.03Å; R32-L58 PolarHBondContact NE-O 3.37Å; R32-L58 PolarHBondContact NH2-O 3.46Å; R32-L58 VanDerWaalsContact NH2-O 3.11Å; M35-L58 HydrophobicContact CB-CD1 3.55Å; M35-L58 HydrophobicContact CG-CD1 4.16Å; L36-L58 HydrophobicContact CD2-CB 4.16Å; L36-L58 HydrophobicContact CG-CB 4.36Å; V54-L58 HydrophobicContact CG2-CD1 4.12Å; V54-L58 HydrophobicContact CG2-CG 4.35Å; V54-L58 WeakPolarHBondContact O-CB 3.46Å; V54-L58 VanDerWaalsContact O-CG 3.24Å; V54-L58 WeakPolarHBondContact O-CG 3.2Å; V54-L58 PolarHBondContact O-N 2.98Å; I55-L58 PolarHBondContact O-N 3.38Å; L58-Q60 PolarHBondContact O-N 3.48Å; L58-E61 PolarHBondContact O-N 3.09Å; L58-E61 VanDerWaalsContact O-N 3.1Å; L58-P64 HydrophobicContact CD2-CG 3.82Å; L58-P64 HydrophobicContact CG-CG 4.49Å
59E94.1Very high86.2Confident89 Ų8973.2 Ų73.242%0.41636%0.363SS..Hα-helixtrans-63.2-31.1172.9-73.3174.7170.600113.1L36 K51 I55 L57 E61L36-E59 HydrophobicContact CD2-CG 3.68Å; K51-E59 VanDerWaalsContact CE-CD 3.49Å; K51-E59 WeakPolarHBondContact CE-OE1 3.49Å; K51-E59 WeakPolarHBondContact CE-OE2 3.4Å; K51-E59 IonicContact NZ-OE1 2.72Å; K51-E59 PolarHBondContact NZ-OE1 2.94Å; K51-E59 IonicContact NZ-OE2 2.59Å; K51-E59 PolarHBondContact NZ-OE2 2.89Å; I55-E59 WeakPolarHBondContact O-CG 3.46Å; I55-E59 PolarHBondContact O-N 3.42Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 3.38Å; E59-E61 PolarHBondContact O-N 3.12Å
60Q93.6Very high84.7Confident98 Ų9880.5 Ų80.546%0.45839%0.394SS..THydrogen-bonded Turntrans-85.47176.3-66174.132.400112.9T56 L57 L58 K62T56-Q60 WeakPolarHBondContact O-CG 3.43Å; T56-Q60 PolarHBondContact O-NE2 3.1Å; L57-Q60 CarbonylContact O-C 3.43Å; L57-Q60 WeakPolarHBondContact O-CA 3.46Å; L57-Q60 WeakPolarHBondContact O-CB 3.43Å; L57-Q60 PolarHBondContact O-N 3.21Å; L58-Q60 PolarHBondContact O-N 3.48Å; Q60-K62 HydrophobicContact CB-CD 4.04Å; Q60-K62 HydrophobicContact CB-CG 4.01Å; Q60-K62 PolarHBondContact O-N 3.31Å
61E90.2Very high82.8Confident144 Ų14484 Ų8467%0.67340%0.398SS*.THydrogen-bonded Turntrans59.825.8-175.3-28.8-143.3110.500112.6R32 L57 L58 E59R32-E61 IonicContact CZ-OE1 3.8Å; R32-E61 VanDerWaalsContact CZ-OE1 3.26Å; R32-E61 VanDerWaalsContact NH1-CB 3.32Å; R32-E61 VanDerWaalsContact NH1-CD 3.28Å; R32-E61 IonicContact NH1-OE1 3.26Å; R32-E61 PolarHBondContact NH1-OE1 3.45Å; R32-E61 VanDerWaalsContact NH2-CG 3.33Å; R32-E61 IonicContact NH2-OE1 2.85Å; R32-E61 PolarHBondContact NH2-OE1 3.36Å; L57-E61 PolarHBondContact O-N 3.14Å; L58-E61 PolarHBondContact O-N 3.09Å; L58-E61 VanDerWaalsContact O-N 3.1Å; E59-E61 PolarHBondContact O-N 3.12Å
62K91Very high80.5Confident94 Ų9485.4 Ų85.441%0.40942%0.415SS..  trans-94.7154.2178.5-68.4178.1-179.6168.40110.8L57 Q60L57-K62 HydrophobicContact CB-CB 4.11Å; L57-K62 HydrophobicContact CD2-CB 3.95Å; L57-K62 HydrophobicContact CD2-CD 3.98Å; L57-K62 WeakPolarHBondContact O-CB 3.41Å; L57-K62 PolarHBondContact O-N 3.37Å; Q60-K62 HydrophobicContact CB-CD 4.04Å; Q60-K62 HydrophobicContact CB-CG 4.01Å; Q60-K62 PolarHBondContact O-N 3.31Å
63E87.3Confident78.6Confident65 Ų6590.3 Ų90.330%0.30445%0.45SS..  trans-70.8131.5-177.8-69.8-58.917900112.2W20 W65 M66W20-E63 VanDerWaalsContact CE2-OE2 3.27Å; W20-E63 VanDerWaalsContact CZ2-OE2 3.25Å; W20-E63 WeakPolarHBondContact CZ2-OE2 3.25Å; W20-E63 PolarHBondContact NE1-OE2 2.94Å; E63-W65 VanDerWaalsContact C-N 3.34Å; E63-W65 HydrophobicContact CB-CD2 4.09Å; E63-W65 HydrophobicContact CB-CE3 3.87Å; E63-W65 HydrophobicContact CB-CH2 3.3Å; E63-W65 HydrophobicContact CB-CZ2 3.6Å; E63-W65 HydrophobicContact CB-CZ3 3.33Å; E63-W65 HydrophobicContact CG-CH2 3.28Å; E63-W65 HydrophobicContact CG-CZ2 3.69Å; E63-W65 HydrophobicContact CG-CZ3 3.78Å; E63-W65 PolarHBondContact O-N 3.36Å; E63-W65 WeakPolarHBondContact OE2-CH2 3.21Å; E63-W65 WeakPolarHBondContact OE2-CZ3 3.17Å; E63-M66 HydrophobicContact CB-CG 3.98Å; E63-M66 HydrophobicContact CB-SD 3.97Å; E63-M66 VanDerWaalsContact O-CB 3.28Å; E63-M66 WeakPolarHBondContact O-CB 3.34Å; E63-M66 WeakPolarHBondContact O-CG 3.49Å; E63-M66 PolarHBondContact O-N 3.3Å; E63-M66 VanDerWaalsContact O-N 3.07Å
64P84.1Confident76.8Confident17 Ų1796.8 Ų96.811%0.1147%0.467CS..G310 helixtrans-58.2-30.3-173.3-32.538.8000117W20 Y31 V54 L58 M66 V67W20-P64 HydrophobicContact CE3-CG 4.24Å; W20-P64 HydrophobicContact CH2-CG 3.58Å; W20-P64 HydrophobicContact CZ2-CG 4.04Å; W20-P64 HydrophobicContact CZ3-CG 3.72Å; Y31-P64 HydrophobicContact CD1-CG 4.3Å; Y31-P64 HydrophobicContact CE1-CB 4.32Å; Y31-P64 HydrophobicContact CE1-CG 3.56Å; V54-P64 HydrophobicContact CG2-CB 3.95Å; V54-P64 HydrophobicContact CG2-CG 4.43Å; L58-P64 HydrophobicContact CD2-CG 3.82Å; L58-P64 HydrophobicContact CG-CG 4.49Å; P64-M66 PolarHBondContact O-N 3.41Å; P64-V67 WeakPolarHBondContact O-CG2 3.19Å
65W79.9Confident75Confident86 Ų86105.7 Ų105.733%0.32650%0.497SS..G310 helixtrans-77.9-6.1179.66398.1000112.8Q17 W20 E63 V67Q17-W65 HydrophobicContact CB-CB 4.32Å; Q17-W65 HydrophobicContact CB-CG 4.3Å; Q17-W65 HydrophobicContact CG-CD2 4.44Å; Q17-W65 HydrophobicContact CG-CG 4.05Å; W20-W65 HydrophobicContact CB-CE3 4.03Å; W20-W65 HydrophobicContact CB-CZ3 4.06Å; W20-W65 AromaticContact CD1-CE3 3.65Å; W20-W65 AromaticContact CD1-CH2 3.01Å; W20-W65 AromaticContact CD1-CZ3 2.8Å; W20-W65 HydrophobicContact CD2-CE3 4.04Å; W20-W65 HydrophobicContact CD2-CH2 4.44Å; W20-W65 AromaticContact CD2-CZ3 3.54Å; W20-W65 HydrophobicContact CD2-CZ3 3.54Å; W20-W65 AromaticContact CE2-CZ3 3.32Å; W20-W65 AromaticContact CG-CE3 3.6Å; W20-W65 HydrophobicContact CG-CE3 3.6Å; W20-W65 AromaticContact CG-CH2 3.86Å; W20-W65 HydrophobicContact CG-CH2 3.86Å; W20-W65 AromaticContact CG-CZ3 3.19Å; W20-W65 HydrophobicContact CG-CZ3 3.19Å; W20-W65 HydrophobicContact CZ2-CZ3 4.17Å; W20-W65 AromaticContact NE1-CH2 3.11Å; W20-W65 AromaticContact NE1-CZ3 2.87Å; E63-W65 VanDerWaalsContact C-N 3.34Å; E63-W65 HydrophobicContact CB-CD2 4.09Å; E63-W65 HydrophobicContact CB-CE3 3.87Å; E63-W65 HydrophobicContact CB-CH2 3.3Å; E63-W65 HydrophobicContact CB-CZ2 3.6Å; E63-W65 HydrophobicContact CB-CZ3 3.33Å; E63-W65 HydrophobicContact CG-CH2 3.28Å; E63-W65 HydrophobicContact CG-CZ2 3.69Å; E63-W65 HydrophobicContact CG-CZ3 3.78Å; E63-W65 PolarHBondContact O-N 3.36Å; E63-W65 WeakPolarHBondContact OE2-CH2 3.21Å; E63-W65 WeakPolarHBondContact OE2-CZ3 3.17Å; W65-V67 PolarHBondContact O-N 3.35Å; W65-V67 VanDerWaalsContact O-N 3.17Å
66M78.4Confident72.9Confident103 Ų103116 Ų11651%0.50754%0.538SS..G310 helixtrans-75.68.5175.4-61.4-176.366.600113.5L57 E63 P64 V68L57-M66 HydrophobicContact CD1-CB 4.34Å; E63-M66 HydrophobicContact CB-CG 3.98Å; E63-M66 HydrophobicContact CB-SD 3.97Å; E63-M66 VanDerWaalsContact O-CB 3.28Å; E63-M66 WeakPolarHBondContact O-CB 3.34Å; E63-M66 WeakPolarHBondContact O-CG 3.49Å; E63-M66 PolarHBondContact O-N 3.3Å; E63-M66 VanDerWaalsContact O-N 3.07Å; P64-M66 PolarHBondContact O-N 3.41Å; M66-V68 VanDerWaalsContact C-N 3.33Å; M66-V68 PolarHBondContact O-N 2.93Å
67V74.3Confident70.9Confident49 Ų49120.1 Ų120.130%0.29757%0.565SS.*  trans-61.197.6173.81790000108.5D53 L57 P64 W65 R69D53-V67 HydrophobicContact CB-CB 4.47Å; D53-V67 HydrophobicContact CB-CG1 3.69Å; D53-V67 HydrophobicContact CB-CG2 3.88Å; L57-V67 HydrophobicContact CD1-CB 4.23Å; L57-V67 HydrophobicContact CD1-CG2 3.35Å; L57-V67 HydrophobicContact CG-CG2 4.49Å; P64-V67 WeakPolarHBondContact O-CG2 3.19Å; W65-V67 PolarHBondContact O-N 3.35Å; W65-V67 VanDerWaalsContact O-N 3.17Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 3.31Å
68V59.7Low69.1Low115 Ų115125.5 Ų125.570%0.69759%0.594SS**  trans-65.1100.2165.7179.70000105.8M66 K70M66-V68 VanDerWaalsContact C-N 3.33Å; M66-V68 PolarHBondContact O-N 2.93Å; V68-K70 PolarHBondContact O-N 2.83Å
69R58.5Low67.2Low220 Ų220133.3 Ų133.383%0.8364%0.635SS**  trans-51.5105.5172.5-76.5-174-147.5-112.8-1.7108.2V67 E71V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 3.31Å; R69-E71 PolarHBondContact O-N 2.79Å
70K53Low65.2Low192 Ų192137 Ų13784%0.83565%0.652SS**  trans-81.412.2174-80.8-176.1176.7176.20113.1V68V68-K70 PolarHBondContact O-N 2.83Å
71E50Low63.2Low177 Ų177139 Ų13983%0.82767%0.665SS**SBendtrans-126.758.4-172.1-158.9161.9-156.700112.6R69R69-E71 PolarHBondContact O-N 2.79Å
72T43Very low61.7Low118 Ų118140.5 Ų140.572%0.72467%0.67SS**  trans-171.247.5139.851.50000111.4R74T72-R74 PolarHBondContact O-N 3.28Å
73S51.6Low59.7Low131 Ų131145.8 Ų145.892%0.91669%0.689SS**  trans-70.537.7158.8-175.30000111.6
74R55.4Low58.2Low234 Ų234145.5 Ų145.588%0.88370%0.703SS**SBendtrans-143.350178.5-156.9-173.1-118.2-176.90111T72T72-R74 PolarHBondContact O-N 3.28Å
75R53.1Low56.6Low216 Ų216150.3 Ų150.382%0.81573%0.734SS**SBendtrans174.7139.2133.1-97.1-168.8-142.1-151.86.5108.4
76Y52.3Low55.2Low216 Ų216155 Ų15585%0.84776%0.759SS**  trans87.186.4-176.7-62.7-82.3000115.8
77P52.3Low53.9Low132 Ų132159 Ų15986%0.85777%0.774SS**  trans-92.982.2155.635.1-21.2000108.2
78D55.4Low52.6Low135 Ų135162.8 Ų162.872%0.72280%0.797SS**  trans-165.364.2161.6-16639.8000112.1
79L54Low52.1Low169 Ų169161.7 Ų161.789%0.88579%0.794SS**  trans-14675.5154-70.8-178.3000107.1L81L79-L81 PolarHBondContact O-N 2.81Å
80E52.7Low51.8Low166 Ų166157 Ų15778%0.77679%0.792SS**  trans-62.298160.1-93.1-171.5103.400108.4K82E80-K82 PolarHBondContact O-N 3.02Å
81L51.3Low51.4Low140 Ų140156.1 Ų156.173%0.73379%0.791SS**  trans-67.888.3160.3-82.5163.5000108.2L79 Y83L79-L81 PolarHBondContact O-N 2.81Å; L81-Y83 VanDerWaalsContact C-N 3.28Å; L81-Y83 HydrophobicContact CB-CD2 4.23Å; L81-Y83 HydrophobicContact CB-CE2 4.39Å; L81-Y83 HydrophobicContact CD2-CD2 4.22Å; L81-Y83 HydrophobicContact CD2-CE2 3.54Å; L81-Y83 HydrophobicContact CG-CE2 4.45Å; L81-Y83 PolarHBondContact O-N 2.85Å
82K59Low51.5Low176 Ų176154.4 Ų154.477%0.76579%0.788SS**  trans-71.683.9167-94.7179.2177.4-820109.4E80E80-K82 PolarHBondContact O-N 3.02Å
83Y49.4Very low51.5Low205 Ų205156 Ų15680%0.80479%0.792SS**  trans-100.993154.8-68.2-73000108.3L81L81-Y83 VanDerWaalsContact C-N 3.28Å; L81-Y83 HydrophobicContact CB-CD2 4.23Å; L81-Y83 HydrophobicContact CB-CE2 4.39Å; L81-Y83 HydrophobicContact CD2-CD2 4.22Å; L81-Y83 HydrophobicContact CD2-CE2 3.54Å; L81-Y83 HydrophobicContact CG-CE2 4.45Å; L81-Y83 PolarHBondContact O-N 2.85Å
84G55Low51.6Low58 Ų58156.6 Ų156.660%0.59879%0.79SS**  trans-94.6152.7160.400000109.4E86G84-E86 PolarHBondContact O-N 3.27Å
85P49.6Very low51.7Low118 Ų118150.7 Ų150.777%0.76679%0.785SS**  trans-66.7117.9178.427-32.1000109.9K87P85-K87 PolarHBondContact O-N 3.03Å
86E50.3Low51.5Low184 Ų184148.4 Ų148.486%0.8678%0.783SS**  trans-57.9110.5167.3-85.3-179122.300109.3G84 V88G84-E86 PolarHBondContact O-N 3.27Å; E86-V88 PolarHBondContact O-N 3.4Å
87K51.2Low51.3Low188 Ų188144 Ų14482%0.81778%0.778SS**  trans-78.995.3161.2-66.2-76.6-173.9178.80106.3P85 S89P85-K87 PolarHBondContact O-N 3.03Å; K87-S89 PolarHBondContact O-N 3.37Å
88V47.6Very low51.1Low129 Ų129144.1 Ų144.178%0.78277%0.772SS**  trans-72.5105.2164.4162.20000107.6E86E86-V88 PolarHBondContact O-N 3.4Å
89S49.2Very low51Low91 Ų91144.7 Ų144.764%0.63677%0.774SS**  trans-85.1142.2159.5-67.20000108.6K87K87-S89 PolarHBondContact O-N 3.37Å
90P51.7Low50.7Low121 Ų121142 Ų14279%0.78677%0.767SS**  trans-87.3115.6174.132.5-25.6000108.9
91E45.6Very low50.7Low175 Ų175143.9 Ų143.982%0.81877%0.773SS**  trans-118.4121.7166.9-63-168.8151.400109.1
92N51.6Low50.7Low141 Ų141146 Ų14675%0.75478%0.779SS**  trans-79.4112.5-175.939.6-77.7000111.1
93D43.8Very low50.3Low151 Ų151143.8 Ų143.881%0.80778%0.78SS**  trans-127.9103.6164-85-53.7000111.3S95D93-S95 PolarHBondContact O-N 3.1Å
94T53.3Low50.5Low143 Ų143141.6 Ų141.688%0.87778%0.78SS**  trans-63.6113.1168-350000108.1
95S56.7Low50Low110 Ų110148 Ų14877%0.76979%0.791SS**  trans-119.1104.1166.934.30000109.3D93 V97D93-S95 PolarHBondContact O-N 3.1Å; S95-V97 PolarHBondContact O-N 3.4Å
96E49.4Very low49.8Very low168 Ų168155.1 Ų155.179%0.78582%0.815SS**  trans-65.9108.2176.8-170.2179.698.900109.9N98E96-N98 PolarHBondContact O-N 2.59Å
97V49.1Very low49.8Very low123 Ų123153.7 Ų153.775%0.74581%0.812SS**  trans-78.4111.8171135.20000108.9S95 L99S95-V97 PolarHBondContact O-N 3.4Å; V97-L99 HydrophobicContact CG1-CD1 3.98Å; V97-L99 PolarHBondContact O-N 2.72Å
98N48.5Very low49.7Very low136 Ų136151.8 Ų151.873%0.72781%0.812SS**  trans-73.5114.3167.9-89.2-93000109.3E96E96-N98 PolarHBondContact O-N 2.59Å
99L52.6Low49.8Very low146 Ų146153.1 Ų153.176%0.76481%0.814SS**  trans-82.7129.8175.4-12888.1000110.5V97 K101V97-L99 HydrophobicContact CG1-CD1 3.98Å; V97-L99 PolarHBondContact O-N 2.72Å; L99-K101 PolarHBondContact O-N 3.27Å
100P46.8Very low49.8Very low114 Ų114156.8 Ų156.874%0.7482%0.824SS**  trans-77.3124.4167.815.2-4.8000110.1Q102P100-Q102 PolarHBondContact O-N 2.89Å
101K54.2Low49.7Very low205 Ų205159 Ų15989%0.89183%0.827SS**  trans-74.2112.3171.3-64.5-176.1-179.1-175.70109.3L99L99-K101 PolarHBondContact O-N 3.27Å
102Q50.1Low50Low183 Ų183157.9 Ų157.986%0.85583%0.827SS**PPolyproline II helixtrans-84.8121.2162.2-73-157.6-11.400109.9P100P100-Q102 PolarHBondContact O-N 2.89Å
103V50.4Low49.9Very low131 Ų131159.1 Ų159.179%0.79483%0.832SS**PPolyproline II helixtrans-77.7116.8170172.20000107.7
104I54.6Low50.4Low158 Ų158159.8 Ų159.881%0.8183%0.834SS**PPolyproline II helixtrans-97121.9163-60.7174.3000106.7
105K44.8Very low50.1Low192 Ų192161.2 Ų161.284%0.83583%0.831SS**  trans-106.8114.9-179.2-161.6-167.4-169.1-1680107.7
106Q44.5Very low49.5Very low268 Ų268165.8 Ų165.8100%1.25284%0.836SS**  trans-149.80150.8-75.8-158.6-45.700108.9

Retrieved 106 of 106 residues in 77.4 ms (Link to these results)