A0A087WWV3_HUMAN Loading...

DNA polymerase delta subunit 4

AlphaFold DB , UniProt , Accession A0A087WWV3, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 80 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
1M40.7Very low60.6Low228 Ų228141.2 Ų141.2100%1.12376%0.764SS**  082.70-72179.2174.500105.7L3M1-L3 PolarHBondContact O-N 3.24Å
2D47.3Very low62.2Low158 Ų158146.5 Ų146.585%0.84577%0.765SS**  trans-72.7109.6-177.5-68.1-79.5000109.6R4D2-R4 PolarHBondContact O-N 3.14Å; D2-R4 VanDerWaalsContact O-N 3.15Å
3L56.7Low64.3Low170 Ų170142.6 Ų142.689%0.8975%0.745SS**  trans-66.4100.8168.4-76.4141000108.1M1 A5M1-L3 PolarHBondContact O-N 3.24Å; L3-A5 PolarHBondContact O-N 3.44Å
4R56.2Low66.2Low220 Ų220139.8 Ų139.883%0.8373%0.727SS**  trans-80.193.2162.6-69.1-168-160.3-179.85.3108.3D2D2-R4 PolarHBondContact O-N 3.14Å; D2-R4 VanDerWaalsContact O-N 3.15Å
5A55.9Low68.1Low91 Ų91134.5 Ų134.575%0.75270%0.697SS**  trans-84124.6166.200000109.3L3L3-A5 PolarHBondContact O-N 3.44Å
6G58.4Low69.9Low80 Ų80132.1 Ų132.183%0.82568%0.682SS**  trans52.364.8152.500000118.4
7E63.8Low71.5Confident156 Ų156128.1 Ų128.173%0.72967%0.673SS**  trans-84.6111.6158.5-84174.113200108.5
8E67.9Low72.9Confident164 Ų164124 Ų12477%0.76665%0.649SS**PPolyproline II helixtrans-56.7135.5162.9-69.3-76.2118.400108.2Q10E8-Q10 PolarHBondContact O-N 3.31Å
9P68.1Low74.3Confident70 Ų70118.2 Ų118.246%0.45562%0.619SS.*PPolyproline II helixtrans-57.8133.9-179.723.8-31.9000109.7E14P9-E14 HydrophobicContact CB-CG 3.99Å; P9-E14 HydrophobicContact CG-CG 4.16Å
10Q76.7Confident75.5Confident118 Ų118116.2 Ų116.255%0.55161%0.606SS**PPolyproline II helixtrans-69.2148.8175.4-59.4-65.1-47.100108.4E8 R12 D13 E14E8-Q10 PolarHBondContact O-N 3.31Å; Q10-R12 PolarHBondContact O-N 2.99Å; Q10-D13 WeakPolarHBondContact CB-OD2 3.15Å; Q10-D13 PolarHBondContact N-OD2 2.94Å; Q10-D13 WeakPolarHBondContact O-CB 3.3Å; Q10-D13 PolarHBondContact O-N 3.45Å; Q10-E14 PolarHBondContact O-N 3.4Å
11P74.8Confident76.6Confident98 Ų98113 Ų11364%0.63659%0.589SS**Hα-helixtrans-53.5-26.6-179.6-28.234000114.4E15P11-E15 PolarHBondContact O-N 3.27Å; P11-E15 VanDerWaalsContact O-N 3.15Å
12R80.4Confident79.3Confident205 Ų205102.1 Ų102.177%0.77454%0.536SS*.Hα-helixtrans-73.4-34.9175.9-172.4178.1-173.8-172.41.4113.2Q10 E14 E15 E16Q10-R12 PolarHBondContact O-N 2.99Å; R12-E14 VanDerWaalsContact C-N 3.33Å; R12-E15 PolarHBondContact O-N 2.88Å; R12-E16 PolarHBondContact O-N 3.45Å
13D88.8Confident81.8Confident96 Ų9698.1 Ų98.151%0.51351%0.509SS..Hα-helixtrans-71.3-36178.6-60.1-37.6000110.2Q10 A17Q10-D13 WeakPolarHBondContact CB-OD2 3.15Å; Q10-D13 PolarHBondContact N-OD2 2.94Å; Q10-D13 WeakPolarHBondContact O-CB 3.3Å; Q10-D13 PolarHBondContact O-N 3.45Å; D13-A17 WeakPolarHBondContact O-CB 3.35Å; D13-A17 PolarHBondContact O-N 3.19Å
14E91.4Very high83.8Confident103 Ų10395.2 Ų95.248%0.48149%0.491SS..Hα-helixtrans-63.2-48.3171.5-60.8-177.3153.400111.2P9 Q10 R12 E16 A17 E18P9-E14 HydrophobicContact CB-CG 3.99Å; P9-E14 HydrophobicContact CG-CG 4.16Å; Q10-E14 PolarHBondContact O-N 3.4Å; R12-E14 VanDerWaalsContact C-N 3.33Å; E14-E16 VanDerWaalsContact C-N 3.32Å; E14-E16 PolarHBondContact O-N 3.39Å; E14-A17 PolarHBondContact O-N 2.89Å; E14-E18 WeakPolarHBondContact O-CG 3.48Å; E14-E18 PolarHBondContact O-N 2.78Å
15E94.8Very high85.8Confident61 Ų6185.1 Ų85.129%0.28545%0.453SS..Hα-helixtrans-57.8-44.2177.6-164.2-172.685.200111.6P11 R12 E18 L19 R69 F70P11-E15 PolarHBondContact O-N 3.27Å; P11-E15 VanDerWaalsContact O-N 3.15Å; R12-E15 PolarHBondContact O-N 2.88Å; E15-E18 PolarHBondContact O-N 3.37Å; E15-L19 HydrophobicContact CG-CD1 4.39Å; E15-L19 VanDerWaalsContact O-CG 3.31Å; E15-L19 WeakPolarHBondContact O-CG 3.35Å; E15-L19 PolarHBondContact O-N 2.94Å; E15-R69 IonicContact OE1-CZ 3.85Å; E15-R69 IonicContact OE1-NH1 3.33Å; E15-R69 PolarHBondContact OE1-NH1 2.96Å; E15-R69 IonicContact OE1-NH2 3.76Å; E15-R69 PolarHBondContact OE1-NH2 3.4Å; E15-R69 IonicContact OE2-CZ 3.92Å; E15-R69 IonicContact OE2-NH1 3.2Å; E15-R69 IonicContact OE2-NH2 3.49Å; E15-R69 PolarHBondContact OE2-NH2 3.48Å; E15-F70 HydrophobicContact CG-CE2 4.28Å; E15-F70 HydrophobicContact CG-CZ 3.75Å
16E96.3Very high87.8Confident96 Ų9681 Ų8145%0.44942%0.418SS..Hα-helixtrans-67.3-37.8179.2-170.861.6-137.300112R12 E14 L19 E20 R23R12-E16 PolarHBondContact O-N 3.45Å; E14-E16 VanDerWaalsContact C-N 3.32Å; E14-E16 PolarHBondContact O-N 3.39Å; E16-L19 PolarHBondContact O-N 3.3Å; E16-E20 WeakPolarHBondContact O-CB 3.46Å; E16-E20 PolarHBondContact O-N 2.82Å; E16-R23 IonicContact OE1-CZ 3.3Å; E16-R23 IonicContact OE1-NH1 3.05Å; E16-R23 PolarHBondContact OE1-NH1 3.03Å; E16-R23 IonicContact OE1-NH2 2.86Å; E16-R23 PolarHBondContact OE1-NH2 3.12Å
17A97.1Very high89.7Confident64 Ų6482.4 Ų82.453%0.52941%0.406SS..Hα-helixtrans-64.6-40.9175.500000112.1D13 E14 E20 L21D13-A17 WeakPolarHBondContact O-CB 3.35Å; D13-A17 PolarHBondContact O-N 3.19Å; E14-A17 PolarHBondContact O-N 2.89Å; A17-E20 PolarHBondContact O-N 3.3Å; A17-L21 PolarHBondContact O-N 2.98Å
18E97.8Very high91.3Very high54 Ų5475.7 Ų75.725%0.25238%0.378SS..Hα-helixtrans-63.8-44.7174-71.5-175.7150.100111.7E14 E15 E20 L21 L22 V60 H64 F70E14-E18 WeakPolarHBondContact O-CG 3.48Å; E14-E18 PolarHBondContact O-N 2.78Å; E15-E18 PolarHBondContact O-N 3.37Å; E18-E20 VanDerWaalsContact C-N 3.3Å; E18-E20 PolarHBondContact O-N 2.9Å; E18-L21 WeakPolarHBondContact O-CB 3.28Å; E18-L21 PolarHBondContact O-N 2.94Å; E18-L22 WeakPolarHBondContact O-CG 3.3Å; E18-L22 PolarHBondContact O-N 2.79Å; E18-V60 HydrophobicContact CB-CG1 3.88Å; E18-V60 HydrophobicContact CB-CG2 4.19Å; E18-V60 HydrophobicContact CG-CG1 4.22Å; E18-V60 HydrophobicContact CG-CG2 3.79Å; E18-H64 IonicContact OE1-NE2 3.49Å; E18-H64 IonicContact OE2-CD2 3.03Å; E18-H64 IonicContact OE2-CE1 2.75Å; E18-H64 IonicContact OE2-NE2 2.8Å; E18-H64 PolarHBondContact OE2-NE2 3.32Å; E18-F70 HydrophobicContact CB-CE1 4.02Å
19L98.1Very high92.7Very high14 Ų1478.3 Ų78.37%0.07338%0.381CS..Hα-helixtrans-61.1-41.7175.8-72.4173000111E15 E16 L22 R23 R69 F70E15-L19 HydrophobicContact CG-CD1 4.39Å; E15-L19 VanDerWaalsContact O-CG 3.31Å; E15-L19 WeakPolarHBondContact O-CG 3.35Å; E15-L19 PolarHBondContact O-N 2.94Å; E16-L19 PolarHBondContact O-N 3.3Å; L19-L22 WeakPolarHBondContact O-CB 3.28Å; L19-L22 PolarHBondContact O-N 3.2Å; L19-L22 VanDerWaalsContact O-N 3.14Å; L19-R23 WeakPolarHBondContact O-CG 3.48Å; L19-R23 PolarHBondContact O-N 3.02Å; L19-R69 HydrophobicContact CD2-CB 4.04Å; L19-F70 HydrophobicContact CD2-CD1 4.32Å; L19-F70 HydrophobicContact CD2-CD2 4.07Å; L19-F70 HydrophobicContact CD2-CE1 4.06Å; L19-F70 HydrophobicContact CD2-CE2 3.82Å; L19-F70 HydrophobicContact CD2-CG 4.32Å; L19-F70 HydrophobicContact CD2-CZ 3.8Å; L19-F70 HydrophobicContact CG-CE1 4.35Å; L19-F70 HydrophobicContact CG-CE2 4.33Å; L19-F70 HydrophobicContact CG-CZ 3.96Å
20E98.4Very high94.1Very high78 Ų7879 Ų7936%0.36438%0.378SS..Hα-helixtrans-64.7-40.7177.9-173.752.5-148.800112.5E16 A17 E18 L22 R23 Q24E16-E20 WeakPolarHBondContact O-CB 3.46Å; E16-E20 PolarHBondContact O-N 2.82Å; A17-E20 PolarHBondContact O-N 3.3Å; E18-E20 VanDerWaalsContact C-N 3.3Å; E18-E20 PolarHBondContact O-N 2.9Å; E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 3.1Å; E20-R23 PolarHBondContact O-N 3.34Å; E20-R23 IonicContact OE2-NH1 2.88Å; E20-R23 PolarHBondContact OE2-NH1 2.74Å; E20-Q24 WeakPolarHBondContact O-CG 3.24Å; E20-Q24 PolarHBondContact O-N 3.3Å; E20-Q24 PolarHBondContact OE1-NE2 3.11Å
21L98.5Very high95.1Very high48 Ų4874.6 Ų74.625%0.25136%0.356SS..Hα-helixtrans-55.3-44.8170.117468.7000111.4A17 E18 Q24 F25 E56 V57 V60A17-L21 PolarHBondContact O-N 2.98Å; E18-L21 WeakPolarHBondContact O-CB 3.28Å; E18-L21 PolarHBondContact O-N 2.94Å; L21-Q24 PolarHBondContact O-N 3.23Å; L21-F25 PolarHBondContact O-N 3.02Å; L21-E56 HydrophobicContact CD2-CB 3.74Å; L21-V57 HydrophobicContact CD1-CG2 4.24Å; L21-V57 HydrophobicContact CD2-CG2 4.27Å; L21-V57 HydrophobicContact CG-CG2 4.04Å; L21-V60 HydrophobicContact CD2-CG2 4.17Å
22L98.6Very high96.2Very high0 Ų071.2 Ų71.20%034%0.339CS..Hα-helixtrans-68.5-34.2178.9-63.8178.8000112.6E18 L19 E20 F25 D26 V57 V60 L61 F70E18-L22 WeakPolarHBondContact O-CG 3.3Å; E18-L22 PolarHBondContact O-N 2.79Å; L19-L22 WeakPolarHBondContact O-CB 3.28Å; L19-L22 PolarHBondContact O-N 3.2Å; L19-L22 VanDerWaalsContact O-N 3.14Å; E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 3.1Å; L22-F25 PolarHBondContact O-N 2.94Å; L22-D26 PolarHBondContact O-N 3.38Å; L22-V57 HydrophobicContact CD2-CG1 3.87Å; L22-V60 HydrophobicContact CD1-CG1 3.87Å; L22-V60 HydrophobicContact CD2-CG1 4.28Å; L22-V60 HydrophobicContact CG-CG1 4.15Å; L22-L61 HydrophobicContact CD1-CD2 4.45Å; L22-L61 HydrophobicContact CD2-CD2 4.17Å; L22-L61 HydrophobicContact CD2-CG 4.21Å; L22-F70 HydrophobicContact CD1-CB 4.13Å; L22-F70 HydrophobicContact CD1-CD1 3.59Å; L22-F70 HydrophobicContact CD1-CE1 4.35Å; L22-F70 HydrophobicContact CD1-CG 4.17Å
23R98.4Very high96.9Very high74 Ų7465.6 Ų65.628%0.27933%0.329SS..Hα-helixtrans-64.7-44.5173-66.3-174.3-166.8108.91.2111.4E16 L19 E20 F25 D26 L27 L74E16-R23 IonicContact OE1-CZ 3.3Å; E16-R23 IonicContact OE1-NH1 3.05Å; E16-R23 PolarHBondContact OE1-NH1 3.03Å; E16-R23 IonicContact OE1-NH2 2.86Å; E16-R23 PolarHBondContact OE1-NH2 3.12Å; L19-R23 WeakPolarHBondContact O-CG 3.48Å; L19-R23 PolarHBondContact O-N 3.02Å; E20-R23 PolarHBondContact O-N 3.34Å; E20-R23 IonicContact OE2-NH1 2.88Å; E20-R23 PolarHBondContact OE2-NH1 2.74Å; R23-F25 VanDerWaalsContact C-N 3.31Å; R23-F25 PolarHBondContact O-N 3.03Å; R23-D26 WeakPolarHBondContact O-CB 3.03Å; R23-D26 PolarHBondContact O-N 2.9Å; R23-D26 VanDerWaalsContact O-N 3.17Å; R23-L27 WeakPolarHBondContact O-CG 3.5Å; R23-L27 PolarHBondContact O-N 3.34Å; R23-L74 HydrophobicContact CB-CD1 4.33Å; R23-L74 HydrophobicContact CB-CD2 4.5Å; R23-L74 HydrophobicContact CG-CD2 3.82Å; R23-L74 HydrophobicContact CG-CG 4.4Å
24Q98.6Very high97.2Very high110 Ų11061.2 Ų61.251%0.51431%0.306SS..Hα-helixtrans-62.5-41.2175.9-69.8174.527.500111.4E20 L21 D26 L27 A28E20-Q24 WeakPolarHBondContact O-CG 3.24Å; E20-Q24 PolarHBondContact O-N 3.3Å; E20-Q24 PolarHBondContact OE1-NE2 3.11Å; L21-Q24 PolarHBondContact O-N 3.23Å; Q24-D26 PolarHBondContact O-N 3.4Å; Q24-L27 PolarHBondContact O-N 2.95Å; Q24-A28 WeakPolarHBondContact O-CB 3.31Å; Q24-A28 PolarHBondContact O-N 3.33Å
25F98.6Very high97.3Very high8 Ų859 Ų594%0.03530%0.299CS..Hα-helixtrans-57.3-50171.7179.4-112.3000110.8L21 L22 R23 L27 A28 Y31 R42 W43 P53 V57L21-F25 PolarHBondContact O-N 3.02Å; L22-F25 PolarHBondContact O-N 2.94Å; R23-F25 VanDerWaalsContact C-N 3.31Å; R23-F25 PolarHBondContact O-N 3.03Å; F25-L27 PolarHBondContact O-N 3.09Å; F25-A28 WeakPolarHBondContact O-CB 3.26Å; F25-A28 PolarHBondContact O-N 3.09Å; F25-A28 VanDerWaalsContact O-N 3.08Å; F25-Y31 AromaticContact CD2-CD2 3.75Å; F25-Y31 HydrophobicContact CD2-CD2 3.75Å; F25-Y31 HydrophobicContact CD2-CE2 4.06Å; F25-Y31 AromaticContact CE2-CD2 3.54Å; F25-Y31 HydrophobicContact CE2-CD2 3.54Å; F25-Y31 HydrophobicContact CE2-CE2 4.1Å; F25-Y31 HydrophobicContact CE2-CG 4Å; F25-R42 VanDerWaalsContact C-NH1 3.27Å; F25-R42 HydrophobicContact CE1-CB 4.27Å; F25-R42 HydrophobicContact CE1-CG 4.27Å; F25-R42 HydrophobicContact CZ-CB 4.38Å; F25-R42 HydrophobicContact CZ-CG 4.12Å; F25-R42 PolarHBondContact O-NH1 2.88Å; F25-W43 HydrophobicContact CZ-CB 4.07Å; F25-P53 HydrophobicContact CE2-CB 4.23Å; F25-V57 HydrophobicContact CB-CG2 3.94Å; F25-V57 HydrophobicContact CD1-CG1 3.92Å; F25-V57 HydrophobicContact CD2-CG1 4.37Å; F25-V57 HydrophobicContact CD2-CG2 4.19Å; F25-V57 HydrophobicContact CE1-CG1 4.18Å; F25-V57 HydrophobicContact CG-CG1 4.01Å; F25-V57 HydrophobicContact CG-CG2 4.06Å
26D98.3Very high97.2Very high4 Ų459.4 Ų59.42%0.02132%0.32CS..Hα-helixtrans-54.3-37.2177.9-75.3-20.5000113.6L22 R23 Q24 R39 R42 S73 L74L22-D26 PolarHBondContact O-N 3.38Å; R23-D26 WeakPolarHBondContact O-CB 3.03Å; R23-D26 PolarHBondContact O-N 2.9Å; R23-D26 VanDerWaalsContact O-N 3.17Å; Q24-D26 PolarHBondContact O-N 3.4Å; D26-R39 IonicContact OD1-NE 3.58Å; D26-R39 PolarHBondContact OD1-NE 3Å; D26-R39 IonicContact OD2-CZ 2.72Å; D26-R39 VanDerWaalsContact OD2-CZ 3.3Å; D26-R39 IonicContact OD2-NE 3.69Å; D26-R39 PolarHBondContact OD2-NE 3.05Å; D26-R39 IonicContact OD2-NH2 3.97Å; D26-R39 PolarHBondContact OD2-NH2 3.04Å; D26-R42 PolarHBondContact O-NH1 2.84Å; D26-R42 IonicContact OD1-NH1 2.8Å; D26-S73 VanDerWaalsContact OD2-CA 3.31Å; D26-S73 WeakPolarHBondContact OD2-CA 3.47Å; D26-L74 HydrophobicContact CB-CB 4.36Å; D26-L74 HydrophobicContact CB-CD1 3.86Å; D26-L74 HydrophobicContact CB-CG 3.96Å; D26-L74 PolarHBondContact OD2-N 3.05Å
27L97.9Very high97.2Very high109 Ų10957 Ų5757%0.57131%0.31SS*.Hα-helixtrans-83.1-15.5-179.9-65.1169.5000114.3R23 Q24 F25 W29 L74 W75R23-L27 WeakPolarHBondContact O-CG 3.5Å; R23-L27 PolarHBondContact O-N 3.34Å; Q24-L27 PolarHBondContact O-N 2.95Å; F25-L27 PolarHBondContact O-N 3.09Å; L27-W29 PolarHBondContact O-N 3.39Å; L27-L74 HydrophobicContact CD2-CD1 4.23Å; L27-L74 HydrophobicContact CG-CD1 4.09Å; L27-W75 HydrophobicContact CD2-CH2 3.85Å; L27-W75 HydrophobicContact CD2-CZ2 4.12Å
28A98.1Very high97.2Very high16 Ų1656.4 Ų56.413%0.13230%0.3CS..  trans-72.696.8-178.500000111.8Q24 F25 Q30 Y31 R42Q24-A28 WeakPolarHBondContact O-CB 3.31Å; Q24-A28 PolarHBondContact O-N 3.33Å; F25-A28 WeakPolarHBondContact O-CB 3.26Å; F25-A28 PolarHBondContact O-N 3.09Å; F25-A28 VanDerWaalsContact O-N 3.08Å; A28-Q30 PolarHBondContact O-N 2.92Å; A28-Y31 HydrophobicContact CB-CD2 3.7Å; A28-Y31 HydrophobicContact CB-CE2 3.87Å; A28-Y31 PolarHBondContact O-N 3.27Å; A28-R42 PolarHBondContact O-NH2 2.99Å
29W96.8Very high97.2Very high218 Ų21854.3 Ų54.383%0.82629%0.289SS*.G310 helixtrans-61.7-26.2-174.762.6-93.3000114.1L27 Y31 G32L27-W29 PolarHBondContact O-N 3.39Å; W29-Y31 PolarHBondContact O-N 3.01Å; W29-Y31 VanDerWaalsContact O-N 3.14Å; W29-G32 PolarHBondContact O-N 3.45Å
30Q98.1Very high97.2Very high85 Ų8555.7 Ų55.740%0.39730%0.297SS..G310 helixtrans-61.9-22.5-178.168.5-86.930.500113.3A28 G32 L51A28-Q30 PolarHBondContact O-N 2.92Å; Q30-G32 VanDerWaalsContact C-N 3.3Å; Q30-L51 WeakPolarHBondContact O-CD1 3.42Å
31Y98.3Very high97.2Very high26 Ų2657.1 Ų57.110%0.10230%0.303CS..G310 helixtrans-91.39.3177.8-54.1-50.8000113.5F25 A28 W29 R45 A46 L51 E52 P53F25-Y31 AromaticContact CD2-CD2 3.75Å; F25-Y31 HydrophobicContact CD2-CD2 3.75Å; F25-Y31 HydrophobicContact CD2-CE2 4.06Å; F25-Y31 AromaticContact CE2-CD2 3.54Å; F25-Y31 HydrophobicContact CE2-CD2 3.54Å; F25-Y31 HydrophobicContact CE2-CE2 4.1Å; F25-Y31 HydrophobicContact CE2-CG 4Å; A28-Y31 HydrophobicContact CB-CD2 3.7Å; A28-Y31 HydrophobicContact CB-CE2 3.87Å; A28-Y31 PolarHBondContact O-N 3.27Å; W29-Y31 PolarHBondContact O-N 3.01Å; W29-Y31 VanDerWaalsContact O-N 3.14Å; Y31-R45 PolarHBondContact O-NH2 3.16Å; Y31-R45 VanDerWaalsContact O-NH2 3.12Å; Y31-A46 HydrophobicContact CD1-CB 3.8Å; Y31-A46 HydrophobicContact CG-CB 4.2Å; Y31-L51 HydrophobicContact CD1-CB 4.02Å; Y31-L51 HydrophobicContact CE1-CB 4.22Å; Y31-L51 WeakPolarHBondContact CE1-O 3.38Å; Y31-E52 PolarHBondContact OH-O 3.25Å; Y31-P53 HydrophobicContact CD1-CB 4.28Å; Y31-P53 HydrophobicContact CE1-CB 4.08Å
32G96.1Very high97.2Very high26 Ų2655 Ų5527%0.26829%0.292SS..  trans73.6-177.1-178.100000113.3W29 Q30 R42W29-G32 PolarHBondContact O-N 3.45Å; Q30-G32 VanDerWaalsContact C-N 3.3Å; G32-R42 VanDerWaalsContact O-CZ 3.28Å; G32-R42 PolarHBondContact O-NE 3.16Å; G32-R42 PolarHBondContact O-NH2 2.91Å
33P95.8Very high97.2Very high87 Ų8756.4 Ų56.457%0.56530%0.297SS*.  trans-64.4139.1-173.526.1-34.6000112R45P33-R45 PolarHBondContact O-NH2 3.35Å
34C95.6Very high97.2Very high5 Ų555 Ų553%0.03430%0.298CS..  trans-101.5-4.9177.170.40000114.3R42 S73 W75C34-R42 VanDerWaalsContact CB-CD 3.41Å; C34-S73 VanDerWaalsContact O-CB 3.32Å; C34-S73 WeakPolarHBondContact O-CB 3.47Å; C34-S73 PolarHBondContact O-OG 3.42Å; C34-W75 WeakPolarHBondContact SG-CZ3 3.15Å
35T93.2Very high97.2Very high55 Ų5553.1 Ų53.134%0.33729%0.286SS..THydrogen-bonded Turntrans-79.9145.4-179.657.70000110.6I37 W75 L80T35-I37 VanDerWaalsContact C-N 3.25Å; T35-I37 PolarHBondContact O-N 3.03Å; T35-W75 HydrophobicContact CG2-CB 4.09Å; T35-W75 HydrophobicContact CG2-CD2 4.39Å; T35-W75 HydrophobicContact CG2-CE3 3.85Å; T35-L80 HydrophobicContact CG2-CD2 4.01Å
36G92.8Very high97.2Very high70 Ų7052.8 Ų52.872%0.72229%0.285SS*.THydrogen-bonded Turntrans75.13.1179.800000116
37I95.9Very high97.2Very high47 Ų4758 Ų5824%0.24131%0.308CS..SBendtrans-138.2158.9177.260.7175.6000110.9T35 Q41 R42T35-I37 VanDerWaalsContact C-N 3.25Å; T35-I37 PolarHBondContact O-N 3.03Å; I37-Q41 HydrophobicContact CB-CB 4.14Å; I37-R42 HydrophobicContact CD1-CB 3.63Å; I37-R42 HydrophobicContact CD1-CG 4.08Å; I37-R42 HydrophobicContact CG1-CB 4.27Å
38T97.4Very high97.3Very high50 Ų5060.8 Ų60.831%0.30732%0.317SS..BIsolated β-bridgetrans-72158.8172.470.90000111.2L40 Q41 R42T38-L40 PolarHBondContact O-N 3.39Å; T38-Q41 PolarHBondContact O-N 3.04Å; T38-Q41 VanDerWaalsContact OG1-CG 3.3Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.44Å; T38-Q41 PolarHBondContact OG1-N 3.36Å; T38-Q41 VanDerWaalsContact OG1-N 3.14Å; T38-Q41 PolarHBondContact OG1-OE1 3.29Å; T38-R42 PolarHBondContact O-N 3.29Å
39R98.3Very high97.2Very high10 Ų1066 Ų664%0.03834%0.34CS..Hα-helixtrans-58.3-37.9174.8-67.8-163.1-178120.6-3.9111.9D26 R42 W43 L61 R69 F70 Q71 C72D26-R39 IonicContact OD1-NE 3.58Å; D26-R39 PolarHBondContact OD1-NE 3Å; D26-R39 IonicContact OD2-CZ 2.72Å; D26-R39 VanDerWaalsContact OD2-CZ 3.3Å; D26-R39 IonicContact OD2-NE 3.69Å; D26-R39 PolarHBondContact OD2-NE 3.05Å; D26-R39 IonicContact OD2-NH2 3.97Å; D26-R39 PolarHBondContact OD2-NH2 3.04Å; R39-R42 PolarHBondContact O-N 3.46Å; R39-W43 WeakPolarHBondContact O-CB 3.5Å; R39-W43 PolarHBondContact O-N 3.13Å; R39-L61 HydrophobicContact CB-CD1 3.88Å; R39-L61 HydrophobicContact CB-CD2 3.79Å; R39-L61 HydrophobicContact CB-CG 4.48Å; R39-R69 PolarHBondContact NH1-O 2.97Å; R39-F70 WeakPolarHBondContact CD-O 3.41Å; R39-F70 PolarHBondContact NH1-O 3.08Å; R39-Q71 PolarHBondContact N-O 3.23Å; R39-C72 PolarHBondContact NE-O 3.06Å; R39-C72 PolarHBondContact NH1-O 3.2Å; R39-C72 PolarHBondContact NH2-O 3.35Å; R39-C72 VanDerWaalsContact NH2-O 3.13Å
40L98.3Very high97.3Very high43 Ų4358.3 Ų58.323%0.22533%0.33CS..Hα-helixtrans-64.5-44.7177.2-167.769.5000112.1T38 R42 W43 C44 W58 L61T38-L40 PolarHBondContact O-N 3.39Å; L40-R42 VanDerWaalsContact C-N 3.31Å; L40-R42 PolarHBondContact O-N 2.8Å; L40-W43 PolarHBondContact O-N 3.49Å; L40-C44 PolarHBondContact O-N 2.75Å; L40-W58 HydrophobicContact CD1-CD2 4.19Å; L40-W58 HydrophobicContact CD1-CE3 3.37Å; L40-W58 HydrophobicContact CD1-CH2 3.87Å; L40-W58 HydrophobicContact CD1-CZ3 3.18Å; L40-W58 HydrophobicContact CG-CZ3 4.01Å; L40-L61 HydrophobicContact CB-CD1 4.29Å; L40-L61 HydrophobicContact CD1-CB 4.31Å; L40-L61 HydrophobicContact CD1-CD1 4.15Å
41Q98.2Very high97.3Very high108 Ų10857.6 Ų57.651%0.50533%0.328SS..Hα-helixtrans-60.3-43.6175.8-76.2169.9-29.200111.1I37 T38 C44 R45I37-Q41 HydrophobicContact CB-CB 4.14Å; T38-Q41 PolarHBondContact O-N 3.04Å; T38-Q41 VanDerWaalsContact OG1-CG 3.3Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.44Å; T38-Q41 PolarHBondContact OG1-N 3.36Å; T38-Q41 VanDerWaalsContact OG1-N 3.14Å; T38-Q41 PolarHBondContact OG1-OE1 3.29Å; Q41-C44 PolarHBondContact O-N 3.03Å; Q41-R45 WeakPolarHBondContact O-CB 3.45Å; Q41-R45 PolarHBondContact O-N 3.24Å
42R98.4Very high97.3Very high3 Ų363.6 Ų63.61%0.01136%0.357CS..Hα-helixtrans-62.2-45176.6-169.7-174.1-176.7-148.8-0.6112.2F25 D26 A28 G32 C34 I37 T38 R39 L40 R45 A46F25-R42 VanDerWaalsContact C-NH1 3.27Å; F25-R42 HydrophobicContact CE1-CB 4.27Å; F25-R42 HydrophobicContact CE1-CG 4.27Å; F25-R42 HydrophobicContact CZ-CB 4.38Å; F25-R42 HydrophobicContact CZ-CG 4.12Å; F25-R42 PolarHBondContact O-NH1 2.88Å; D26-R42 PolarHBondContact O-NH1 2.84Å; D26-R42 IonicContact OD1-NH1 2.8Å; A28-R42 PolarHBondContact O-NH2 2.99Å; G32-R42 VanDerWaalsContact O-CZ 3.28Å; G32-R42 PolarHBondContact O-NE 3.16Å; G32-R42 PolarHBondContact O-NH2 2.91Å; C34-R42 VanDerWaalsContact CB-CD 3.41Å; I37-R42 HydrophobicContact CD1-CB 3.63Å; I37-R42 HydrophobicContact CD1-CG 4.08Å; I37-R42 HydrophobicContact CG1-CB 4.27Å; T38-R42 PolarHBondContact O-N 3.29Å; R39-R42 PolarHBondContact O-N 3.46Å; L40-R42 VanDerWaalsContact C-N 3.31Å; L40-R42 PolarHBondContact O-N 2.8Å; R42-R45 PolarHBondContact O-N 2.71Å; R42-A46 PolarHBondContact O-N 3.42Å
43W98.7Very high97.4Very high31 Ų3162.7 Ų62.712%0.11735%0.346CS..Hα-helixtrans-60.2-48.6177.6-169.3101.9000111.1F25 R39 L40 R45 A46 K47 P53 P54 W58F25-W43 HydrophobicContact CZ-CB 4.07Å; R39-W43 WeakPolarHBondContact O-CB 3.5Å; R39-W43 PolarHBondContact O-N 3.13Å; L40-W43 PolarHBondContact O-N 3.49Å; W43-R45 VanDerWaalsContact C-N 3.34Å; W43-R45 PolarHBondContact O-N 2.86Å; W43-A46 PolarHBondContact O-N 3.23Å; W43-K47 HydrophobicContact CE3-CB 4.15Å; W43-K47 HydrophobicContact CH2-CB 4.28Å; W43-K47 HydrophobicContact CH2-CD 4.27Å; W43-K47 HydrophobicContact CH2-CG 4.11Å; W43-K47 HydrophobicContact CZ3-CB 3.85Å; W43-K47 HydrophobicContact CZ3-CG 3.98Å; W43-K47 PolarHBondContact O-N 3.2Å; W43-P53 HydrophobicContact CD2-CB 4.43Å; W43-P53 HydrophobicContact CD2-CG 3.93Å; W43-P53 HydrophobicContact CG-CB 4.23Å; W43-P53 HydrophobicContact CG-CG 4.19Å; W43-P53 HydrophobicContact CZ2-CG 4.04Å; W43-P54 PolarHBondContact NE1-O 2.94Å; W43-W58 HydrophobicContact CD2-CB 4.18Å; W43-W58 HydrophobicContact CD2-CD2 4.49Å; W43-W58 AromaticContact CD2-CE3 3.72Å; W43-W58 HydrophobicContact CD2-CE3 3.72Å; W43-W58 HydrophobicContact CD2-CZ3 4.5Å; W43-W58 HydrophobicContact CE3-CD2 4.16Å; W43-W58 AromaticContact CE3-CE3 3.26Å; W43-W58 HydrophobicContact CE3-CE3 3.26Å; W43-W58 AromaticContact CE3-CZ3 3.69Å; W43-W58 HydrophobicContact CE3-CZ3 3.69Å; W43-W58 HydrophobicContact CG-CE3 4.37Å; W43-W58 HydrophobicContact CH2-CB 4.33Å; W43-W58 HydrophobicContact CH2-CD2 4.38Å; W43-W58 HydrophobicContact CH2-CE3 4.24Å; W43-W58 HydrophobicContact CH2-CG 4.45Å; W43-W58 HydrophobicContact CZ2-CB 3.83Å; W43-W58 HydrophobicContact CZ2-CG 4.42Å; W43-W58 HydrophobicContact CZ3-CD2 4.11Å; W43-W58 AromaticContact CZ3-CE3 3.56Å; W43-W58 HydrophobicContact CZ3-CE3 3.56Å; W43-W58 AromaticContact CZ3-CZ3 3.96Å; W43-W58 HydrophobicContact CZ3-CZ3 3.96Å
44C98.6Very high97.5Very high43 Ų4360.3 Ų60.329%0.29133%0.331SS..Hα-helixtrans-57.7-45.3176.2-77.60000112.1L40 Q41 K47 Q48 W58L40-C44 PolarHBondContact O-N 2.75Å; Q41-C44 PolarHBondContact O-N 3.03Å; C44-K47 PolarHBondContact O-N 2.72Å; C44-Q48 WeakPolarHBondContact O-CB 3.48Å; C44-Q48 VanDerWaalsContact O-CG 3.28Å; C44-Q48 WeakPolarHBondContact O-CG 3.34Å; C44-Q48 PolarHBondContact O-N 3.36Å; C44-W58 VanDerWaalsContact SG-CZ3 3.55Å
45R98.5Very high97.7Very high72 Ų7263.5 Ų63.527%0.27235%0.352SS..Hα-helixtrans-60.1-48.5177.8-175.3-175.768.5-161.3-2.8111.3Y31 P33 Q41 R42 W43 K47 Q48 M49Y31-R45 PolarHBondContact O-NH2 3.16Å; Y31-R45 VanDerWaalsContact O-NH2 3.12Å; P33-R45 PolarHBondContact O-NH2 3.35Å; Q41-R45 WeakPolarHBondContact O-CB 3.45Å; Q41-R45 PolarHBondContact O-N 3.24Å; R42-R45 PolarHBondContact O-N 2.71Å; W43-R45 VanDerWaalsContact C-N 3.34Å; W43-R45 PolarHBondContact O-N 2.86Å; R45-K47 VanDerWaalsContact C-N 3.3Å; R45-K47 PolarHBondContact O-N 2.8Å; R45-Q48 PolarHBondContact O-N 2.88Å; R45-M49 HydrophobicContact CG-SD 4.08Å; R45-M49 VanDerWaalsContact O-CG 3.31Å; R45-M49 WeakPolarHBondContact O-CG 3.38Å; R45-M49 PolarHBondContact O-N 3.33Å
46A98.6Very high97.9Very high0 Ų065.5 Ų65.50%036%0.357CS..Hα-helixtrans-59.7-40.9177.200000112.1Y31 R42 W43 M49 G50 L51 P53Y31-A46 HydrophobicContact CD1-CB 3.8Å; Y31-A46 HydrophobicContact CG-CB 4.2Å; R42-A46 PolarHBondContact O-N 3.42Å; W43-A46 PolarHBondContact O-N 3.23Å; A46-M49 PolarHBondContact O-N 2.64Å; A46-G50 PolarHBondContact O-N 3Å; A46-L51 HydrophobicContact CB-CB 4.42Å; A46-L51 HydrophobicContact CB-CD1 4.4Å; A46-L51 WeakPolarHBondContact O-CB 3.31Å; A46-L51 PolarHBondContact O-N 3.42Å; A46-P53 HydrophobicContact CB-CB 4.08Å; A46-P53 HydrophobicContact CB-CG 3.99Å
47K98.6Very high98.2Very high115 Ų11562.2 Ų62.250%0.532%0.323SS..Hα-helixtrans-65.1-43176.3-172.462.8177.9179.70112.3W43 C44 R45 M49 G50 P53W43-K47 HydrophobicContact CE3-CB 4.15Å; W43-K47 HydrophobicContact CH2-CB 4.28Å; W43-K47 HydrophobicContact CH2-CD 4.27Å; W43-K47 HydrophobicContact CH2-CG 4.11Å; W43-K47 HydrophobicContact CZ3-CB 3.85Å; W43-K47 HydrophobicContact CZ3-CG 3.98Å; W43-K47 PolarHBondContact O-N 3.2Å; C44-K47 PolarHBondContact O-N 2.72Å; R45-K47 VanDerWaalsContact C-N 3.3Å; R45-K47 PolarHBondContact O-N 2.8Å; K47-M49 PolarHBondContact O-N 2.99Å; K47-G50 PolarHBondContact O-N 3.34Å; K47-P53 HydrophobicContact CB-CG 4.01Å; K47-P53 HydrophobicContact CD-CG 4.5Å
48Q98.4Very high98.3Very high166 Ų16663.8 Ų63.878%0.77633%0.326SS*.Hα-helixtrans-62-32175.7-73.8170.33.300112.4C44 R45 G50C44-Q48 WeakPolarHBondContact O-CB 3.48Å; C44-Q48 VanDerWaalsContact O-CG 3.28Å; C44-Q48 WeakPolarHBondContact O-CG 3.34Å; C44-Q48 PolarHBondContact O-N 3.36Å; R45-Q48 PolarHBondContact O-N 2.88Å; Q48-G50 VanDerWaalsContact C-N 3.26Å; Q48-G50 PolarHBondContact O-N 2.78Å
49M97.8Very high98.4Very high125 Ų12567.1 Ų67.162%0.61634%0.338SS*.THydrogen-bonded Turntrans-81-1.1175.3-66.6174.569.100113.7R45 A46 K47 L51R45-M49 HydrophobicContact CG-SD 4.08Å; R45-M49 VanDerWaalsContact O-CG 3.31Å; R45-M49 WeakPolarHBondContact O-CG 3.38Å; R45-M49 PolarHBondContact O-N 3.33Å; A46-M49 PolarHBondContact O-N 2.64Å; K47-M49 PolarHBondContact O-N 2.99Å; M49-L51 VanDerWaalsContact C-N 3.31Å; M49-L51 HydrophobicContact CB-CD1 3.9Å; M49-L51 HydrophobicContact CB-CG 3.91Å; M49-L51 HydrophobicContact CE-CD1 4.13Å; M49-L51 PolarHBondContact O-N 3.14Å; M49-L51 HydrophobicContact SD-CD1 4.22Å
50G98.1Very high98.4Very high58 Ų5867.2 Ų67.260%0.59834%0.339SS*.THydrogen-bonded Turntrans72.120.8-179.400000114.5A46 K47 Q48 E52A46-G50 PolarHBondContact O-N 3Å; K47-G50 PolarHBondContact O-N 3.34Å; Q48-G50 VanDerWaalsContact C-N 3.26Å; Q48-G50 PolarHBondContact O-N 2.78Å; G50-E52 VanDerWaalsContact C-N 3.26Å; G50-E52 PolarHBondContact O-N 3.36Å
51L98.2Very high98.4Very high69 Ų6965.3 Ų65.336%0.36133%0.33SS..  trans-83.10.5-176.2-62.1169.5000114Q30 Y31 A46 M49Q30-L51 WeakPolarHBondContact O-CD1 3.42Å; Y31-L51 HydrophobicContact CD1-CB 4.02Å; Y31-L51 HydrophobicContact CE1-CB 4.22Å; Y31-L51 WeakPolarHBondContact CE1-O 3.38Å; A46-L51 HydrophobicContact CB-CB 4.42Å; A46-L51 HydrophobicContact CB-CD1 4.4Å; A46-L51 WeakPolarHBondContact O-CB 3.31Å; A46-L51 PolarHBondContact O-N 3.42Å; M49-L51 VanDerWaalsContact C-N 3.31Å; M49-L51 HydrophobicContact CB-CD1 3.9Å; M49-L51 HydrophobicContact CB-CG 3.91Å; M49-L51 HydrophobicContact CE-CD1 4.13Å; M49-L51 PolarHBondContact O-N 3.14Å; M49-L51 HydrophobicContact SD-CD1 4.22Å
52E98.1Very high98.3Very high153 Ų15365.7 Ų65.772%0.71533%0.329SS*.  trans52.760.5178.2-54.2-169.9129.600113.8Y31 G50Y31-E52 PolarHBondContact OH-O 3.25Å; G50-E52 VanDerWaalsContact C-N 3.26Å; G50-E52 PolarHBondContact O-N 3.36Å
53P98.4Very high98.2Very high6 Ų669.8 Ų69.84%0.03936%0.355CS..  trans-63.7150.317430.7-37000111.2F25 Y31 W43 A46 K47F25-P53 HydrophobicContact CE2-CB 4.23Å; Y31-P53 HydrophobicContact CD1-CB 4.28Å; Y31-P53 HydrophobicContact CE1-CB 4.08Å; W43-P53 HydrophobicContact CD2-CB 4.43Å; W43-P53 HydrophobicContact CD2-CG 3.93Å; W43-P53 HydrophobicContact CG-CB 4.23Å; W43-P53 HydrophobicContact CG-CG 4.19Å; W43-P53 HydrophobicContact CZ2-CG 4.04Å; A46-P53 HydrophobicContact CB-CB 4.08Å; A46-P53 HydrophobicContact CB-CG 3.99Å; K47-P53 HydrophobicContact CB-CG 4.01Å; K47-P53 HydrophobicContact CD-CG 4.5Å
54P98.4Very high98.1Very high37 Ų3770.6 Ų70.624%0.2436%0.36CS..  trans-61.8130.1-174.5-21.432.9000111.6W43 E56 V57W43-P54 PolarHBondContact NE1-O 2.94Å; P54-E56 PolarHBondContact O-N 3.47Å; P54-V57 HydrophobicContact CB-CG2 4.14Å; P54-V57 HydrophobicContact CG-CG2 4.38Å; P54-V57 WeakPolarHBondContact O-CB 3.26Å; P54-V57 PolarHBondContact O-N 3.06Å
55P98.4Very high97.8Very high73 Ų7373.8 Ų73.847%0.47438%0.38SS..Hα-helixtrans-65.7-26.6-179.925.6-33.3000113.2V57 W58 Q59P55-V57 VanDerWaalsContact C-N 3.28Å; P55-V57 PolarHBondContact O-N 3.2Å; P55-W58 WeakPolarHBondContact O-CB 3.39Å; P55-W58 PolarHBondContact O-N 2.92Å; P55-W58 VanDerWaalsContact O-N 3.09Å; P55-Q59 WeakPolarHBondContact O-CG 3.34Å; P55-Q59 PolarHBondContact O-N 2.82Å; P55-Q59 VanDerWaalsContact O-N 3.09Å
56E98.4Very high97.5Very high97 Ų9773.6 Ų73.645%0.45340%0.401SS..Hα-helixtrans-61.8-38.3177.9-60.972.9-15800110.8L21 P54 W58 Q59 V60L21-E56 HydrophobicContact CD2-CB 3.74Å; P54-E56 PolarHBondContact O-N 3.47Å; E56-W58 VanDerWaalsContact C-N 3.28Å; E56-W58 PolarHBondContact O-N 3.15Å; E56-Q59 PolarHBondContact O-N 3.26Å; E56-Q59 VanDerWaalsContact O-N 3.16Å; E56-V60 WeakPolarHBondContact O-CG2 3.49Å; E56-V60 PolarHBondContact O-N 2.94Å
57V98.5Very high97.4Very high0 Ų075.4 Ų75.40%041%0.411CS..Hα-helixtrans-58-43.7174.4171.70000110.5L21 L22 F25 P54 P55 L61L21-V57 HydrophobicContact CD1-CG2 4.24Å; L21-V57 HydrophobicContact CD2-CG2 4.27Å; L21-V57 HydrophobicContact CG-CG2 4.04Å; L22-V57 HydrophobicContact CD2-CG1 3.87Å; F25-V57 HydrophobicContact CB-CG2 3.94Å; F25-V57 HydrophobicContact CD1-CG1 3.92Å; F25-V57 HydrophobicContact CD2-CG1 4.37Å; F25-V57 HydrophobicContact CD2-CG2 4.19Å; F25-V57 HydrophobicContact CE1-CG1 4.18Å; F25-V57 HydrophobicContact CG-CG1 4.01Å; F25-V57 HydrophobicContact CG-CG2 4.06Å; P54-V57 HydrophobicContact CB-CG2 4.14Å; P54-V57 HydrophobicContact CG-CG2 4.38Å; P54-V57 WeakPolarHBondContact O-CB 3.26Å; P54-V57 PolarHBondContact O-N 3.06Å; P55-V57 VanDerWaalsContact C-N 3.28Å; P55-V57 PolarHBondContact O-N 3.2Å; V57-L61 HydrophobicContact CG1-CD1 3.9Å; V57-L61 HydrophobicContact CG1-CG 4.44Å; V57-L61 WeakPolarHBondContact O-CB 3.31Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.39Å
58W98.4Very high97.3Very high81 Ų8173.3 Ų73.331%0.30741%0.409SS..Hα-helixtrans-64.5-43177.5177.1-89000112L40 W43 C44 P55 E56 L61 K62L40-W58 HydrophobicContact CD1-CD2 4.19Å; L40-W58 HydrophobicContact CD1-CE3 3.37Å; L40-W58 HydrophobicContact CD1-CH2 3.87Å; L40-W58 HydrophobicContact CD1-CZ3 3.18Å; L40-W58 HydrophobicContact CG-CZ3 4.01Å; W43-W58 HydrophobicContact CD2-CB 4.18Å; W43-W58 HydrophobicContact CD2-CD2 4.49Å; W43-W58 AromaticContact CD2-CE3 3.72Å; W43-W58 HydrophobicContact CD2-CE3 3.72Å; W43-W58 HydrophobicContact CD2-CZ3 4.5Å; W43-W58 HydrophobicContact CE3-CD2 4.16Å; W43-W58 AromaticContact CE3-CE3 3.26Å; W43-W58 HydrophobicContact CE3-CE3 3.26Å; W43-W58 AromaticContact CE3-CZ3 3.69Å; W43-W58 HydrophobicContact CE3-CZ3 3.69Å; W43-W58 HydrophobicContact CG-CE3 4.37Å; W43-W58 HydrophobicContact CH2-CB 4.33Å; W43-W58 HydrophobicContact CH2-CD2 4.38Å; W43-W58 HydrophobicContact CH2-CE3 4.24Å; W43-W58 HydrophobicContact CH2-CG 4.45Å; W43-W58 HydrophobicContact CZ2-CB 3.83Å; W43-W58 HydrophobicContact CZ2-CG 4.42Å; W43-W58 HydrophobicContact CZ3-CD2 4.11Å; W43-W58 AromaticContact CZ3-CE3 3.56Å; W43-W58 HydrophobicContact CZ3-CE3 3.56Å; W43-W58 AromaticContact CZ3-CZ3 3.96Å; W43-W58 HydrophobicContact CZ3-CZ3 3.96Å; C44-W58 VanDerWaalsContact SG-CZ3 3.55Å; P55-W58 WeakPolarHBondContact O-CB 3.39Å; P55-W58 PolarHBondContact O-N 2.92Å; P55-W58 VanDerWaalsContact O-N 3.09Å; E56-W58 VanDerWaalsContact C-N 3.28Å; E56-W58 PolarHBondContact O-N 3.15Å; W58-L61 PolarHBondContact O-N 2.95Å; W58-K62 VanDerWaalsContact CE2-CE 3.49Å; W58-K62 WeakPolarHBondContact O-CG 3.38Å; W58-K62 PolarHBondContact O-N 3.19Å; W58-K62 VanDerWaalsContact O-N 3.1Å
59Q98.3Very high97.2Very high120 Ų12071 Ų7156%0.56139%0.393SS*.Hα-helixtrans-60.5-50.4179.4-68.7171.4-8.200111.1P55 E56 L61 K62 T63P55-Q59 WeakPolarHBondContact O-CG 3.34Å; P55-Q59 PolarHBondContact O-N 2.82Å; P55-Q59 VanDerWaalsContact O-N 3.09Å; E56-Q59 PolarHBondContact O-N 3.26Å; E56-Q59 VanDerWaalsContact O-N 3.16Å; Q59-L61 VanDerWaalsContact C-N 3.32Å; Q59-L61 PolarHBondContact O-N 3.37Å; Q59-K62 WeakPolarHBondContact O-CB 3.26Å; Q59-K62 PolarHBondContact O-N 3.04Å; Q59-T63 PolarHBondContact O-N 3.37Å; Q59-T63 VanDerWaalsContact O-N 3.11Å
60V98.3Very high97.2Very high11 Ų1165.1 Ų65.17%0.06736%0.364CS..Hα-helixtrans-58.4-43176.5171.20000111.4E18 L21 L22 E56 K62 T63 H64 F70E18-V60 HydrophobicContact CB-CG1 3.88Å; E18-V60 HydrophobicContact CB-CG2 4.19Å; E18-V60 HydrophobicContact CG-CG1 4.22Å; E18-V60 HydrophobicContact CG-CG2 3.79Å; L21-V60 HydrophobicContact CD2-CG2 4.17Å; L22-V60 HydrophobicContact CD1-CG1 3.87Å; L22-V60 HydrophobicContact CD2-CG1 4.28Å; L22-V60 HydrophobicContact CG-CG1 4.15Å; E56-V60 WeakPolarHBondContact O-CG2 3.49Å; E56-V60 PolarHBondContact O-N 2.94Å; V60-K62 PolarHBondContact O-N 2.88Å; V60-T63 PolarHBondContact O-N 3.43Å; V60-T63 PolarHBondContact O-OG1 3.37Å; V60-H64 PolarHBondContact O-CD2 3.07Å; V60-H64 PolarHBondContact O-N 3.14Å; V60-F70 HydrophobicContact CG1-CD1 3.7Å; V60-F70 HydrophobicContact CG1-CE1 3.88Å
61L98.1Very high97.2Very high4 Ų463.9 Ų63.92%0.02134%0.342CS..Hα-helixtrans-64.6-26.1177.7-70.1172000113.2L22 R39 L40 V57 W58 Q59 F70 Q71L22-L61 HydrophobicContact CD1-CD2 4.45Å; L22-L61 HydrophobicContact CD2-CD2 4.17Å; L22-L61 HydrophobicContact CD2-CG 4.21Å; R39-L61 HydrophobicContact CB-CD1 3.88Å; R39-L61 HydrophobicContact CB-CD2 3.79Å; R39-L61 HydrophobicContact CB-CG 4.48Å; L40-L61 HydrophobicContact CB-CD1 4.29Å; L40-L61 HydrophobicContact CD1-CB 4.31Å; L40-L61 HydrophobicContact CD1-CD1 4.15Å; V57-L61 HydrophobicContact CG1-CD1 3.9Å; V57-L61 HydrophobicContact CG1-CG 4.44Å; V57-L61 WeakPolarHBondContact O-CB 3.31Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.39Å; W58-L61 PolarHBondContact O-N 2.95Å; Q59-L61 VanDerWaalsContact C-N 3.32Å; Q59-L61 PolarHBondContact O-N 3.37Å; L61-F70 WeakPolarHBondContact CD2-O 3.34Å; L61-Q71 PolarHBondContact O-NE2 3.06Å
62K97.4Very high97.2Very high115 Ų11562.3 Ų62.350%0.534%0.337SS..Hα-helixtrans-83.1-28.5177.9-71.4-58.9-172.8-174.20113.4W58 Q59 V60W58-K62 VanDerWaalsContact CE2-CE 3.49Å; W58-K62 WeakPolarHBondContact O-CG 3.38Å; W58-K62 PolarHBondContact O-N 3.19Å; W58-K62 VanDerWaalsContact O-N 3.1Å; Q59-K62 WeakPolarHBondContact O-CB 3.26Å; Q59-K62 PolarHBondContact O-N 3.04Å; V60-K62 PolarHBondContact O-N 2.88Å
63T96.6Very high97.1Very high90 Ų9055.2 Ų55.255%0.55230%0.304SS*.Hα-helixtrans-76.6-23.2177.651.50000112.7Q59 V60 P65Q59-T63 PolarHBondContact O-N 3.37Å; Q59-T63 VanDerWaalsContact O-N 3.11Å; V60-T63 PolarHBondContact O-N 3.43Å; V60-T63 PolarHBondContact O-OG1 3.37Å; T63-P65 WeakPolarHBondContact O-CD 3.5Å
64H95.3Very high97Very high47 Ų4757.9 Ų57.922%0.21832%0.318CS..SBendtrans-115.958.7-177.8-62.4-79.7000114E18 V60 G66 F70 Q71E18-H64 IonicContact OE1-NE2 3.49Å; E18-H64 IonicContact OE2-CD2 3.03Å; E18-H64 IonicContact OE2-CE1 2.75Å; E18-H64 IonicContact OE2-NE2 2.8Å; E18-H64 PolarHBondContact OE2-NE2 3.32Å; V60-H64 PolarHBondContact O-CD2 3.07Å; V60-H64 PolarHBondContact O-N 3.14Å; H64-G66 PolarHBondContact O-N 3.17Å; H64-F70 HydrophobicContact CB-CB 3.82Å; H64-F70 HydrophobicContact CB-CD1 3.81Å; H64-F70 HydrophobicContact CB-CD2 3.97Å; H64-F70 HydrophobicContact CB-CE1 4.38Å; H64-F70 HydrophobicContact CB-CG 3.58Å; H64-F70 AromaticContact CD2-CD1 3.39Å; H64-F70 WeakPolarHBondContact CD2-CD1 3.42Å; H64-F70 AromaticContact CD2-CE1 3.26Å; H64-F70 WeakPolarHBondContact CD2-CE1 3.46Å; H64-F70 AromaticContact CD2-CZ 3.82Å; H64-F70 AromaticContact CE1-CE1 3.94Å; H64-F70 AromaticContact CE1-CZ 3.71Å; H64-F70 AromaticContact CG-CD1 3.62Å; H64-F70 AromaticContact CG-CE1 3.71Å; H64-F70 AromaticContact CG-CG 3.8Å; H64-F70 AromaticContact CG-CZ 3.94Å; H64-F70 AromaticContact ND1-CE2 3.98Å; H64-F70 AromaticContact ND1-CZ 3.93Å; H64-F70 AromaticContact NE2-CE1 3.42Å; H64-F70 WeakPolarHBondContact NE2-CE1 3.37Å; H64-F70 AromaticContact NE2-CZ 3.66Å; H64-Q71 PolarHBondContact O-NE2 2.91Å
65P92.8Very high96.8Very high110 Ų11061.1 Ų61.171%0.71433%0.325SS*.THydrogen-bonded Turntrans-64.6124.6-179.929-34000110.6T63T63-P65 WeakPolarHBondContact O-CD 3.5Å
66G91.7Very high96.5Very high68 Ų6862 Ų6270%0.70132%0.323SS*.THydrogen-bonded Turntrans88.5-5.9172.100000116.5H64 P68H64-G66 PolarHBondContact O-N 3.17Å; G66-P68 VanDerWaalsContact O-CD 3.28Å; G66-P68 WeakPolarHBondContact O-CD 3.36Å
67D96.9Very high96.2Very high39 Ų3963.9 Ų63.921%0.20934%0.335CS..  trans-79.2115.2172-172.3-26.7000110.2R69 F70 Q71D67-R69 PolarHBondContact O-N 3.47Å; D67-R69 VanDerWaalsContact OD1-CB 3.24Å; D67-R69 WeakPolarHBondContact OD1-CB 3.44Å; D67-R69 WeakPolarHBondContact OD1-CG 3.31Å; D67-R69 PolarHBondContact OD1-N 2.95Å; D67-R69 IonicContact OD1-NE 3.33Å; D67-R69 PolarHBondContact OD1-NE 3.42Å; D67-R69 IonicContact OD2-CZ 3.39Å; D67-R69 IonicContact OD2-NE 3.54Å; D67-R69 PolarHBondContact OD2-NE 3.37Å; D67-R69 IonicContact OD2-NH2 3.04Å; D67-R69 PolarHBondContact OD2-NH2 2.95Å; D67-F70 HydrophobicContact CB-CB 4.46Å; D67-F70 HydrophobicContact CB-CD2 3.85Å; D67-F70 PolarHBondContact O-N 3.07Å; D67-Q71 WeakPolarHBondContact O-CB 3.33Å; D67-Q71 VanDerWaalsContact O-CG 3.3Å; D67-Q71 WeakPolarHBondContact O-CG 3.37Å; D67-Q71 PolarHBondContact O-N 3.18Å
68P96.5Very high95.7Very high71 Ų7171.5 Ų71.546%0.46137%0.365SS..Hα-helixtrans-58.5-30.5179.4-23.535.2000113.7G66 F70 Q71 C72G66-P68 VanDerWaalsContact O-CD 3.28Å; G66-P68 WeakPolarHBondContact O-CD 3.36Å; P68-F70 PolarHBondContact O-N 3.49Å; P68-Q71 PolarHBondContact O-N 3.42Å; P68-C72 VanDerWaalsContact O-CB 3.26Å; P68-C72 WeakPolarHBondContact O-CB 3.4Å; P68-C72 PolarHBondContact O-N 3.28Å
69R96.6Very high94.7Very high118 Ų11873.8 Ų73.845%0.44539%0.39SS..Hα-helixtrans-60.9-30.4177.6-59.2179.9-63.7155.43.8111.7E15 L19 R39 D67E15-R69 IonicContact OE1-CZ 3.85Å; E15-R69 IonicContact OE1-NH1 3.33Å; E15-R69 PolarHBondContact OE1-NH1 2.96Å; E15-R69 IonicContact OE1-NH2 3.76Å; E15-R69 PolarHBondContact OE1-NH2 3.4Å; E15-R69 IonicContact OE2-CZ 3.92Å; E15-R69 IonicContact OE2-NH1 3.2Å; E15-R69 IonicContact OE2-NH2 3.49Å; E15-R69 PolarHBondContact OE2-NH2 3.48Å; L19-R69 HydrophobicContact CD2-CB 4.04Å; R39-R69 PolarHBondContact NH1-O 2.97Å; D67-R69 PolarHBondContact O-N 3.47Å; D67-R69 VanDerWaalsContact OD1-CB 3.24Å; D67-R69 WeakPolarHBondContact OD1-CB 3.44Å; D67-R69 WeakPolarHBondContact OD1-CG 3.31Å; D67-R69 PolarHBondContact OD1-N 2.95Å; D67-R69 IonicContact OD1-NE 3.33Å; D67-R69 PolarHBondContact OD1-NE 3.42Å; D67-R69 IonicContact OD2-CZ 3.39Å; D67-R69 IonicContact OD2-NE 3.54Å; D67-R69 PolarHBondContact OD2-NE 3.37Å; D67-R69 IonicContact OD2-NH2 3.04Å; D67-R69 PolarHBondContact OD2-NH2 2.95Å
70F98.1Very high93.4Very high0 Ų076.5 Ų76.50%041%0.408CS..Hα-helixtrans-94.9-40.4178.6-71.6-97.8000111.9E15 E18 L19 L22 R39 V60 L61 H64 D67 P68E15-F70 HydrophobicContact CG-CE2 4.28Å; E15-F70 HydrophobicContact CG-CZ 3.75Å; E18-F70 HydrophobicContact CB-CE1 4.02Å; L19-F70 HydrophobicContact CD2-CD1 4.32Å; L19-F70 HydrophobicContact CD2-CD2 4.07Å; L19-F70 HydrophobicContact CD2-CE1 4.06Å; L19-F70 HydrophobicContact CD2-CE2 3.82Å; L19-F70 HydrophobicContact CD2-CG 4.32Å; L19-F70 HydrophobicContact CD2-CZ 3.8Å; L19-F70 HydrophobicContact CG-CE1 4.35Å; L19-F70 HydrophobicContact CG-CE2 4.33Å; L19-F70 HydrophobicContact CG-CZ 3.96Å; L22-F70 HydrophobicContact CD1-CB 4.13Å; L22-F70 HydrophobicContact CD1-CD1 3.59Å; L22-F70 HydrophobicContact CD1-CE1 4.35Å; L22-F70 HydrophobicContact CD1-CG 4.17Å; R39-F70 WeakPolarHBondContact CD-O 3.41Å; R39-F70 PolarHBondContact NH1-O 3.08Å; V60-F70 HydrophobicContact CG1-CD1 3.7Å; V60-F70 HydrophobicContact CG1-CE1 3.88Å; L61-F70 WeakPolarHBondContact CD2-O 3.34Å; H64-F70 HydrophobicContact CB-CB 3.82Å; H64-F70 HydrophobicContact CB-CD1 3.81Å; H64-F70 HydrophobicContact CB-CD2 3.97Å; H64-F70 HydrophobicContact CB-CE1 4.38Å; H64-F70 HydrophobicContact CB-CG 3.58Å; H64-F70 AromaticContact CD2-CD1 3.39Å; H64-F70 WeakPolarHBondContact CD2-CD1 3.42Å; H64-F70 AromaticContact CD2-CE1 3.26Å; H64-F70 WeakPolarHBondContact CD2-CE1 3.46Å; H64-F70 AromaticContact CD2-CZ 3.82Å; H64-F70 AromaticContact CE1-CE1 3.94Å; H64-F70 AromaticContact CE1-CZ 3.71Å; H64-F70 AromaticContact CG-CD1 3.62Å; H64-F70 AromaticContact CG-CE1 3.71Å; H64-F70 AromaticContact CG-CG 3.8Å; H64-F70 AromaticContact CG-CZ 3.94Å; H64-F70 AromaticContact ND1-CE2 3.98Å; H64-F70 AromaticContact ND1-CZ 3.93Å; H64-F70 AromaticContact NE2-CE1 3.42Å; H64-F70 WeakPolarHBondContact NE2-CE1 3.37Å; H64-F70 AromaticContact NE2-CZ 3.66Å; D67-F70 HydrophobicContact CB-CB 4.46Å; D67-F70 HydrophobicContact CB-CD2 3.85Å; D67-F70 PolarHBondContact O-N 3.07Å; P68-F70 PolarHBondContact O-N 3.49Å
71Q97.9Very high93.1Very high32 Ų3279.8 Ų79.815%0.1543%0.425CS..Hα-helixtrans-84.5-28.5-170.3-60.7-56.2-41.700114.1R39 L61 H64 D67 P68R39-Q71 PolarHBondContact N-O 3.23Å; L61-Q71 PolarHBondContact O-NE2 3.06Å; H64-Q71 PolarHBondContact O-NE2 2.91Å; D67-Q71 WeakPolarHBondContact O-CB 3.33Å; D67-Q71 VanDerWaalsContact O-CG 3.3Å; D67-Q71 WeakPolarHBondContact O-CG 3.37Å; D67-Q71 PolarHBondContact O-N 3.18Å; P68-Q71 PolarHBondContact O-N 3.42Å
72C97.6Very high92.9Very high37 Ų3783.7 Ų83.725%0.2545%0.446CS..BIsolated β-bridgetrans-101.2148.9-174.4-60.80000111.8R39 P68 H76R39-C72 PolarHBondContact NE-O 3.06Å; R39-C72 PolarHBondContact NH1-O 3.2Å; R39-C72 PolarHBondContact NH2-O 3.35Å; R39-C72 VanDerWaalsContact NH2-O 3.13Å; P68-C72 VanDerWaalsContact O-CB 3.26Å; P68-C72 WeakPolarHBondContact O-CB 3.4Å; P68-C72 PolarHBondContact O-N 3.28Å; C72-H76 HydrophobicContact CB-CB 3.62Å; C72-H76 WeakPolarHBondContact CB-CD2 3.34Å; C72-H76 VanDerWaalsContact CB-CG 3.43Å
73S96.4Very high92.6Very high4 Ų482 Ų823%0.02844%0.443CS..  trans-71161.3177.360.40000112.6D26 C34 W75 H76D26-S73 VanDerWaalsContact OD2-CA 3.31Å; D26-S73 WeakPolarHBondContact OD2-CA 3.47Å; C34-S73 VanDerWaalsContact O-CB 3.32Å; C34-S73 WeakPolarHBondContact O-CB 3.47Å; C34-S73 PolarHBondContact O-OG 3.42Å; S73-W75 PolarHBondContact O-N 2.8Å; S73-H76 WeakPolarHBondContact O-CB 3.43Å; S73-H76 PolarHBondContact O-CD2 3.4Å; S73-H76 PolarHBondContact O-N 3.34Å
74L95.6Very high92.4Very high62 Ų6281.5 Ų81.533%0.32544%0.437SS..THydrogen-bonded Turntrans-43.9-32.8177.3-83.3175.5000115.1R23 D26 L27R23-L74 HydrophobicContact CB-CD1 4.33Å; R23-L74 HydrophobicContact CB-CD2 4.5Å; R23-L74 HydrophobicContact CG-CD2 3.82Å; R23-L74 HydrophobicContact CG-CG 4.4Å; D26-L74 HydrophobicContact CB-CB 4.36Å; D26-L74 HydrophobicContact CB-CD1 3.86Å; D26-L74 HydrophobicContact CB-CG 3.96Å; D26-L74 PolarHBondContact OD2-N 3.05Å; L27-L74 HydrophobicContact CD2-CD1 4.23Å; L27-L74 HydrophobicContact CG-CD1 4.09Å
75W94.1Very high92.2Very high105 Ų10583.7 Ų83.740%0.39845%0.45SS..THydrogen-bonded Turntrans-102.213.4-174.1-58.5-72.7000114.3L27 C34 T35 S73 L77 Y78L27-W75 HydrophobicContact CD2-CH2 3.85Å; L27-W75 HydrophobicContact CD2-CZ2 4.12Å; C34-W75 WeakPolarHBondContact SG-CZ3 3.15Å; T35-W75 HydrophobicContact CG2-CB 4.09Å; T35-W75 HydrophobicContact CG2-CD2 4.39Å; T35-W75 HydrophobicContact CG2-CE3 3.85Å; S73-W75 PolarHBondContact O-N 2.8Å; W75-L77 PolarHBondContact O-N 3.19Å; W75-Y78 HydrophobicContact CB-CD2 4.46Å; W75-Y78 PolarHBondContact O-N 3.15Å
76H93.6Very high92.2Very high90 Ų9081.9 Ų81.942%0.41743%0.433SS..THydrogen-bonded Turntrans-63.9-16-173.380.278.9000115.3C72 S73C72-H76 HydrophobicContact CB-CB 3.62Å; C72-H76 WeakPolarHBondContact CB-CD2 3.34Å; C72-H76 VanDerWaalsContact CB-CG 3.43Å; S73-H76 WeakPolarHBondContact O-CB 3.43Å; S73-H76 PolarHBondContact O-CD2 3.4Å; S73-H76 PolarHBondContact O-N 3.34Å
77L91.9Very high92.2Very high138 Ų13882.9 Ų82.972%0.72341%0.414SS*.THydrogen-bonded Turntrans-93-11.8176.7-66177.4000113.3W75W75-L77 PolarHBondContact O-N 3.19Å
78Y88.1Confident91.9Very high160 Ų16086.3 Ų86.363%0.62743%0.429SS*.SBendtrans-95.5128.5-178-64-86.5000109.4W75 L80W75-Y78 HydrophobicContact CB-CD2 4.46Å; W75-Y78 PolarHBondContact O-N 3.15Å; Y78-L80 PolarHBondContact O-N 3.2Å
79P77.9Confident91.5Very high128 Ų12887.6 Ų87.683%0.83143%0.427SS*.  trans-62.4135.7171.325.7-31000109.6
80L70.1Confident91Very high177 Ų17784.8 Ų84.893%0.92743%0.425SS*.  trans-91.30176-60.9170.9000111T35 Y78T35-L80 HydrophobicContact CG2-CD2 4.01Å; Y78-L80 PolarHBondContact O-N 3.2Å

Retrieved 80 of 80 residues in 79.9 ms (Link to these results)

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