A0A075B791_HUMAN Loading...

Zinc finger protein 780A

AlphaFold DB , UniProt , Accession A0A075B791, Species HUMAN (Homo sapiens, Human), Gene ZNF780A, Length 109 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
1M45.9Very low77.6Confident223 Ų223112.9 Ų112.9100%1.09962%0.617SS**  0118.10-58.4177.8-144.400106.2H3M1-H3 PolarHBondContact O-N 3.32Å
2V54.4Low78.8Confident150 Ų150106.2 Ų106.291%0.90959%0.587SS**  trans-83.4101.8175.2-162.30000105.5G4V2-G4 PolarHBondContact O-N 3.37Å
3H63.1Low79.7Confident169 Ų169105.2 Ų105.278%0.78258%0.579SS**  trans-71.6108.7167.2-83.9-95000106.5M1 S5M1-H3 PolarHBondContact O-N 3.32Å; H3-S5 PolarHBondContact O-N 3.1Å
4G73Confident80.4Confident66 Ų66108.1 Ų108.168%0.6859%0.593SS**PPolyproline II helixtrans-59.9134.7170.900000109.4V2V2-G4 PolarHBondContact O-N 3.37Å
5S80.8Confident81Confident97 Ų97105 Ų10568%0.67857%0.572SS**PPolyproline II helixtrans-76.3126.7174.1-173.10000108.9H3H3-S5 PolarHBondContact O-N 3.1Å
6V86Confident81.5Confident71 Ų71101.2 Ų101.243%0.4356%0.555SS.*PPolyproline II helixtrans-79.7125.9174.3179.20000108.6D10 V11 L42V6-D10 HydrophobicContact CG1-CB 4.2Å; V6-V11 HydrophobicContact CG1-CG1 3.96Å; V6-L42 HydrophobicContact CB-CD2 4.48Å; V6-L42 HydrophobicContact CG1-CD2 3.97Å
7T89Confident81.9Confident59 Ų59100.6 Ų100.636%0.36255%0.548SS..PPolyproline II helixtrans-101.4165.8176.875.80000111R9 D10T7-R9 PolarHBondContact O-N 3.27Å; T7-R9 PolarHBondContact OG1-N 2.97Å; T7-D10 WeakPolarHBondContact CA-OD2 3.47Å; T7-D10 WeakPolarHBondContact CB-OD2 3.41Å; T7-D10 PolarHBondContact N-OD2 3.09Å; T7-D10 WeakPolarHBondContact O-CB 3.48Å; T7-D10 PolarHBondContact O-N 3.13Å; T7-D10 VanDerWaalsContact O-N 3.1Å; T7-D10 PolarHBondContact OG1-OD2 3.04Å
8F90.2Very high82.5Confident15 Ų15101.8 Ų101.87%0.06655%0.549CS..Hα-helixtrans-59.2-34.5175.9-176-99.7000112.5D10 V11 A12 M35 N38 Y39 L42 I49 P52 V54 I55F8-D10 PolarHBondContact O-N 3.08Å; F8-V11 WeakPolarHBondContact O-CG2 3.4Å; F8-V11 PolarHBondContact O-N 3.09Å; F8-A12 HydrophobicContact CD1-CB 3.85Å; F8-A12 HydrophobicContact CE1-CB 3.53Å; F8-A12 HydrophobicContact CZ-CB 3.93Å; F8-A12 WeakPolarHBondContact O-CB 3.49Å; F8-A12 PolarHBondContact O-N 3.19Å; F8-M35 HydrophobicContact CZ-SD 4.12Å; F8-N38 HydrophobicContact CE2-CB 4.36Å; F8-Y39 HydrophobicContact CD2-CD2 4.36Å; F8-L42 VanDerWaalsContact CA-CD1 3.44Å; F8-L42 HydrophobicContact CB-CD1 3.85Å; F8-L42 HydrophobicContact CD2-CD1 3.85Å; F8-L42 HydrophobicContact CG-CD1 4.35Å; F8-I49 HydrophobicContact CB-CG2 4.4Å; F8-P52 HydrophobicContact CB-CG 4.22Å; F8-P52 HydrophobicContact CD1-CB 4.17Å; F8-P52 HydrophobicContact CD1-CG 3.61Å; F8-P52 HydrophobicContact CD2-CG 4.43Å; F8-P52 HydrophobicContact CE1-CB 4.31Å; F8-P52 HydrophobicContact CE1-CG 4.08Å; F8-P52 HydrophobicContact CG-CG 3.82Å; F8-V54 HydrophobicContact CE1-CG1 3.79Å; F8-V54 HydrophobicContact CZ-CG1 4.37Å; F8-I55 HydrophobicContact CE1-CD1 4.38Å; F8-I55 HydrophobicContact CE1-CG1 4.3Å; F8-I55 HydrophobicContact CE2-CD1 3.71Å; F8-I55 HydrophobicContact CE2-CG1 4.04Å; F8-I55 HydrophobicContact CZ-CD1 3.48Å; F8-I55 VanDerWaalsContact CZ-CD1 3.48Å; F8-I55 HydrophobicContact CZ-CG1 3.81Å
9R89.4Confident83Confident227 Ų227102.2 Ų102.286%0.85755%0.547SS*.Hα-helixtrans-65.1-27.3178-73-178173.4-129.1-2.1113.3T7 V11T7-R9 PolarHBondContact O-N 3.27Å; T7-R9 PolarHBondContact OG1-N 2.97Å; R9-V11 PolarHBondContact O-N 3.24Å
10D90.8Very high83.4Confident110 Ų11097.6 Ų97.659%0.58852%0.521SS*.Hα-helixtrans-73.8-19.3-179.6-57.3-57.8000112.3V6 T7 F8V6-D10 HydrophobicContact CG1-CB 4.2Å; T7-D10 WeakPolarHBondContact CA-OD2 3.47Å; T7-D10 WeakPolarHBondContact CB-OD2 3.41Å; T7-D10 PolarHBondContact N-OD2 3.09Å; T7-D10 WeakPolarHBondContact O-CB 3.48Å; T7-D10 PolarHBondContact O-N 3.13Å; T7-D10 VanDerWaalsContact O-N 3.1Å; T7-D10 PolarHBondContact OG1-OD2 3.04Å; F8-D10 PolarHBondContact O-N 3.08Å
11V91.1Very high83.8Confident55 Ų5598.1 Ų98.133%0.33352%0.521SS..Hα-helixtrans-119.8-5.5-177.9-59.30000113.3V6 F8 R9 N38 L42V6-V11 HydrophobicContact CG1-CG1 3.96Å; F8-V11 WeakPolarHBondContact O-CG2 3.4Å; F8-V11 PolarHBondContact O-N 3.09Å; R9-V11 PolarHBondContact O-N 3.24Å; V11-N38 HydrophobicContact CG2-CB 4.18Å; V11-N38 PolarHBondContact O-ND2 2.94Å; V11-L42 HydrophobicContact CG2-CD1 3.83Å; V11-L42 HydrophobicContact CG2-CG 4.45Å
12A91.6Very high86.1Confident32 Ų3292.2 Ų92.226%0.26450%0.501SS..  trans-85.9145.3179.100000111.1F8 M35F8-A12 HydrophobicContact CD1-CB 3.85Å; F8-A12 HydrophobicContact CE1-CB 3.53Å; F8-A12 HydrophobicContact CZ-CB 3.93Å; F8-A12 WeakPolarHBondContact O-CB 3.49Å; F8-A12 PolarHBondContact O-N 3.19Å; A12-M35 HydrophobicContact CB-SD 3.94Å
13I91.1Very high88Confident94 Ų9486.2 Ų86.248%0.48246%0.463SS..  trans-98.9135166.6-60.7172.9000106.3F15 Y31 M35I13-F15 HydrophobicContact CG2-CD2 4.32Å; I13-F15 HydrophobicContact CG2-CE1 4.42Å; I13-F15 HydrophobicContact CG2-CE2 3.88Å; I13-F15 HydrophobicContact CG2-CZ 3.93Å; I13-Y31 HydrophobicContact CB-CE2 4.24Å; I13-Y31 WeakPolarHBondContact O-CE2 3.07Å; I13-Y31 PolarHBondContact O-OH 2.95Å; I13-M35 HydrophobicContact CB-CE 4.01Å; I13-M35 HydrophobicContact CG1-CE 4.17Å
14D88.9Confident89.5Confident145 Ų14584 Ų8478%0.77545%0.453SS*.  trans-114.4137175.5-157.43.5000108.4
15F89.4Confident90.5Very high62 Ų6285 Ų8527%0.27245%0.448SS..  trans-118.9136.3178-73.7-70000108.3I13 E19 W20 L23 Y31I13-F15 HydrophobicContact CG2-CD2 4.32Å; I13-F15 HydrophobicContact CG2-CE1 4.42Å; I13-F15 HydrophobicContact CG2-CE2 3.88Å; I13-F15 HydrophobicContact CG2-CZ 3.93Å; F15-E19 HydrophobicContact CB-CB 4.38Å; F15-E19 HydrophobicContact CD1-CB 4.01Å; F15-W20 HydrophobicContact CB-CB 4.26Å; F15-W20 HydrophobicContact CB-CE3 4.07Å; F15-W20 AromaticContact CD2-CE3 3.75Å; F15-W20 HydrophobicContact CD2-CE3 3.75Å; F15-W20 AromaticContact CD2-CZ3 3.99Å; F15-W20 HydrophobicContact CD2-CZ3 3.99Å; F15-W20 HydrophobicContact CG-CE3 4.2Å; F15-L23 HydrophobicContact CD1-CD1 4.34Å; F15-L23 HydrophobicContact CD2-CD1 3.92Å; F15-L23 HydrophobicContact CE1-CD1 4.2Å; F15-L23 HydrophobicContact CE1-CD2 4.13Å; F15-L23 HydrophobicContact CE2-CD1 3.74Å; F15-L23 HydrophobicContact CG-CD1 4.21Å; F15-L23 HydrophobicContact CZ-CD1 3.9Å; F15-L23 HydrophobicContact CZ-CD2 4.15Å; F15-Y31 AromaticContact CD2-CD2 3.8Å; F15-Y31 HydrophobicContact CD2-CD2 3.8Å; F15-Y31 AromaticContact CD2-CE2 3.72Å; F15-Y31 HydrophobicContact CD2-CE2 3.72Å; F15-Y31 AromaticContact CE2-CD2 3.46Å; F15-Y31 HydrophobicContact CE2-CD2 3.46Å; F15-Y31 VanDerWaalsContact CE2-CD2 3.46Å; F15-Y31 AromaticContact CE2-CE2 3.81Å; F15-Y31 HydrophobicContact CE2-CE2 3.81Å; F15-Y31 HydrophobicContact CE2-CG 4.24Å
16S89.1Confident91.2Very high44 Ų4486.8 Ų86.831%0.30845%0.45SS..  trans-64.1165.1164.393.70000110.3E18 E19 W20S16-E18 VanDerWaalsContact C-N 3.27Å; S16-E18 VanDerWaalsContact CB-OE2 3.31Å; S16-E18 WeakPolarHBondContact CB-OE2 3.31Å; S16-E18 PolarHBondContact O-N 3.47Å; S16-E18 PolarHBondContact OG-N 2.94Å; S16-E18 PolarHBondContact OG-OE2 2.91Å; S16-E19 PolarHBondContact N-OE2 3.33Å; S16-E19 PolarHBondContact O-N 3.44Å; S16-E19 WeakPolarHBondContact OG-CG 3.47Å; S16-E19 PolarHBondContact OG-N 3.15Å; S16-E19 VanDerWaalsContact OG-N 3.13Å; S16-W20 WeakPolarHBondContact O-CB 3.48Å; S16-W20 PolarHBondContact O-N 2.91Å
17Q88.6Confident91.7Very high91 Ų9188.1 Ų88.143%0.42545%0.451SS..Hα-helixtrans-59.3-43.3175.6-179.1177.9-13.400110.9W20 E21 W65Q17-W20 PolarHBondContact O-N 3.34Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.47Å; Q17-E21 PolarHBondContact NE2-OE1 3.07Å; Q17-E21 WeakPolarHBondContact O-CB 3.31Å; Q17-E21 WeakPolarHBondContact O-CG 3.33Å; Q17-E21 PolarHBondContact O-N 3.35Å; Q17-W65 HydrophobicContact CB-CB 4.44Å; Q17-W65 HydrophobicContact CB-CG 4.46Å; Q17-W65 HydrophobicContact CG-CG 4.17Å
18E91.8Very high91.9Very high123 Ų12388.5 Ų88.558%0.57545%0.446SS*.Hα-helixtrans-66.2-42.1-179.3-53.975.8-165.500111.7S16 W20 E21 C22S16-E18 VanDerWaalsContact C-N 3.27Å; S16-E18 VanDerWaalsContact CB-OE2 3.31Å; S16-E18 WeakPolarHBondContact CB-OE2 3.31Å; S16-E18 PolarHBondContact O-N 3.47Å; S16-E18 PolarHBondContact OG-N 2.94Å; S16-E18 PolarHBondContact OG-OE2 2.91Å; E18-W20 VanDerWaalsContact C-N 3.34Å; E18-E21 PolarHBondContact O-N 3.24Å; E18-C22 PolarHBondContact O-N 3.03Å; E18-C22 PolarHBondContact O-SG 3.2Å
19E93.2Very high92.1Very high108 Ų10891.5 Ų91.551%0.50547%0.465SS..Hα-helixtrans-64.1-42.4175.7-69.4174.6142.200111F15 S16 C22 L23F15-E19 HydrophobicContact CB-CB 4.38Å; F15-E19 HydrophobicContact CD1-CB 4.01Å; S16-E19 PolarHBondContact N-OE2 3.33Å; S16-E19 PolarHBondContact O-N 3.44Å; S16-E19 WeakPolarHBondContact OG-CG 3.47Å; S16-E19 PolarHBondContact OG-N 3.15Å; S16-E19 VanDerWaalsContact OG-N 3.13Å; E19-C22 WeakPolarHBondContact O-CB 3.26Å; E19-C22 PolarHBondContact O-N 3.04Å; E19-L23 PolarHBondContact O-N 3.2Å
20W91.3Very high92.4Very high10 Ų1085.8 Ų85.84%0.03845%0.452CS..Hα-helixtrans-63.8-44.2177.3-174-76.7000112.3F15 S16 Q17 E18 C22 L23 R28 Y31 P64 W65F15-W20 HydrophobicContact CB-CB 4.26Å; F15-W20 HydrophobicContact CB-CE3 4.07Å; F15-W20 AromaticContact CD2-CE3 3.75Å; F15-W20 HydrophobicContact CD2-CE3 3.75Å; F15-W20 AromaticContact CD2-CZ3 3.99Å; F15-W20 HydrophobicContact CD2-CZ3 3.99Å; F15-W20 HydrophobicContact CG-CE3 4.2Å; S16-W20 WeakPolarHBondContact O-CB 3.48Å; S16-W20 PolarHBondContact O-N 2.91Å; Q17-W20 PolarHBondContact O-N 3.34Å; E18-W20 VanDerWaalsContact C-N 3.34Å; W20-C22 PolarHBondContact O-N 2.94Å; W20-L23 HydrophobicContact CD2-CD1 3.96Å; W20-L23 HydrophobicContact CE3-CD1 3.71Å; W20-L23 HydrophobicContact CG-CD1 4.43Å; W20-L23 HydrophobicContact CZ3-CD1 4.15Å; W20-L23 VanDerWaalsContact O-CB 3.31Å; W20-L23 WeakPolarHBondContact O-CB 3.38Å; W20-L23 PolarHBondContact O-N 3.24Å; W20-R28 HydrophobicContact CD2-CG 4.47Å; W20-R28 HydrophobicContact CH2-CB 4.17Å; W20-R28 HydrophobicContact CH2-CG 4.3Å; W20-R28 HydrophobicContact CZ2-CB 3.65Å; W20-R28 HydrophobicContact CZ2-CG 3.57Å; W20-R28 VanDerWaalsContact NE1-CD 3.25Å; W20-R28 VanDerWaalsContact NE1-NE 3.12Å; W20-R28 PolarHBondContact O-NE 3.4Å; W20-R28 PolarHBondContact O-NH2 3.42Å; W20-Y31 AromaticContact CH2-CD1 3.39Å; W20-Y31 HydrophobicContact CH2-CD1 3.39Å; W20-Y31 AromaticContact CH2-CE1 3.94Å; W20-Y31 HydrophobicContact CH2-CE1 3.94Å; W20-Y31 AromaticContact CH2-CG 3.93Å; W20-Y31 HydrophobicContact CH2-CG 3.93Å; W20-Y31 AromaticContact CZ3-CD1 3.28Å; W20-Y31 HydrophobicContact CZ3-CD1 3.28Å; W20-Y31 HydrophobicContact CZ3-CD2 4.19Å; W20-Y31 AromaticContact CZ3-CE1 3.56Å; W20-Y31 HydrophobicContact CZ3-CE1 3.56Å; W20-Y31 HydrophobicContact CZ3-CE2 4.41Å; W20-Y31 AromaticContact CZ3-CG 3.58Å; W20-Y31 HydrophobicContact CZ3-CG 3.58Å; W20-P64 HydrophobicContact CE3-CG 4.41Å; W20-P64 HydrophobicContact CH2-CG 3.72Å; W20-P64 HydrophobicContact CZ2-CG 4.25Å; W20-P64 HydrophobicContact CZ3-CG 3.84Å; W20-W65 HydrophobicContact CB-CE3 4.11Å; W20-W65 HydrophobicContact CB-CZ3 4.16Å; W20-W65 AromaticContact CD1-CE3 3.65Å; W20-W65 AromaticContact CD1-CH2 2.9Å; W20-W65 AromaticContact CD1-CZ2 3.86Å; W20-W65 AromaticContact CD1-CZ3 2.87Å; W20-W65 AromaticContact CD2-CE3 3.92Å; W20-W65 HydrophobicContact CD2-CE3 3.92Å; W20-W65 HydrophobicContact CD2-CH2 4.21Å; W20-W65 AromaticContact CD2-CZ3 3.41Å; W20-W65 HydrophobicContact CD2-CZ3 3.41Å; W20-W65 VanDerWaalsContact CD2-CZ3 3.41Å; W20-W65 AromaticContact CE2-CH2 3.76Å; W20-W65 AromaticContact CE2-CZ3 3.18Å; W20-W65 HydrophobicContact CE3-CZ3 4.41Å; W20-W65 AromaticContact CG-CE3 3.58Å; W20-W65 HydrophobicContact CG-CE3 3.58Å; W20-W65 AromaticContact CG-CH2 3.72Å; W20-W65 HydrophobicContact CG-CH2 3.72Å; W20-W65 AromaticContact CG-CZ3 3.2Å; W20-W65 HydrophobicContact CG-CZ3 3.2Å; W20-W65 AromaticContact CZ2-CZ3 3.94Å; W20-W65 HydrophobicContact CZ2-CZ3 3.94Å; W20-W65 AromaticContact NE1-CE3 4Å; W20-W65 AromaticContact NE1-CH2 2.94Å; W20-W65 AromaticContact NE1-CZ3 2.87Å
21E90.9Very high92.6Very high110 Ų11081.3 Ų81.351%0.51443%0.427SS..Hα-helixtrans-57.3-32.3177.2-78.2177-165.300111.6Q17 E18 R28Q17-E21 WeakPolarHBondContact CG-OE1 3.47Å; Q17-E21 PolarHBondContact NE2-OE1 3.07Å; Q17-E21 WeakPolarHBondContact O-CB 3.31Å; Q17-E21 WeakPolarHBondContact O-CG 3.33Å; Q17-E21 PolarHBondContact O-N 3.35Å; E18-E21 PolarHBondContact O-N 3.24Å; E21-R28 PolarHBondContact O-NH2 2.96Å; E21-R28 VanDerWaalsContact O-NH2 3.07Å
22C94.4Very high92.8Very high99 Ų9981.6 Ų81.667%0.66942%0.422SS*.Hα-helixtrans-76.9-15175.6-63.40000114.6E18 E19 W20E18-C22 PolarHBondContact O-N 3.03Å; E18-C22 PolarHBondContact O-SG 3.2Å; E19-C22 WeakPolarHBondContact O-CB 3.26Å; E19-C22 PolarHBondContact O-N 3.04Å; W20-C22 PolarHBondContact O-N 2.94Å
23L93.6Very high92.9Very high24 Ų2484.3 Ų84.313%0.12643%0.432CS..SBendtrans-70.1138.2179.1-64.5178.3000111.7F15 E19 W20 Q27 R28F15-L23 HydrophobicContact CD1-CD1 4.34Å; F15-L23 HydrophobicContact CD2-CD1 3.92Å; F15-L23 HydrophobicContact CE1-CD1 4.2Å; F15-L23 HydrophobicContact CE1-CD2 4.13Å; F15-L23 HydrophobicContact CE2-CD1 3.74Å; F15-L23 HydrophobicContact CG-CD1 4.21Å; F15-L23 HydrophobicContact CZ-CD1 3.9Å; F15-L23 HydrophobicContact CZ-CD2 4.15Å; E19-L23 PolarHBondContact O-N 3.2Å; W20-L23 HydrophobicContact CD2-CD1 3.96Å; W20-L23 HydrophobicContact CE3-CD1 3.71Å; W20-L23 HydrophobicContact CG-CD1 4.43Å; W20-L23 HydrophobicContact CZ3-CD1 4.15Å; W20-L23 VanDerWaalsContact O-CB 3.31Å; W20-L23 WeakPolarHBondContact O-CB 3.38Å; W20-L23 PolarHBondContact O-N 3.24Å; L23-Q27 HydrophobicContact CB-CB 4.24Å; L23-Q27 HydrophobicContact CD2-CB 4.25Å; L23-R28 HydrophobicContact CB-CG 3.77Å; L23-R28 HydrophobicContact CD1-CG 4.33Å; L23-R28 PolarHBondContact O-NE 2.95Å
24Q95.9Very high93.1Very high121 Ų12182 Ų8257%0.56542%0.422SS*.  trans-69153.5170.9-60-55.1-56.200111D26 Q27 R28Q24-D26 PolarHBondContact O-N 2.89Å; Q24-D26 VanDerWaalsContact O-N 3.15Å; Q24-Q27 HydrophobicContact CB-CG 4.29Å; Q24-Q27 WeakPolarHBondContact O-CA 3.42Å; Q24-Q27 WeakPolarHBondContact O-CB 3.19Å; Q24-Q27 PolarHBondContact O-N 2.65Å; Q24-R28 PolarHBondContact O-N 3.44Å
25P93.6Very high93.4Very high87 Ų8775.2 Ų75.257%0.56539%0.386SS*.Hα-helixtrans-51-39.6178.6-29.136000114.1Q27 R28 T29P25-Q27 VanDerWaalsContact C-N 3.34Å; P25-Q27 PolarHBondContact O-N 3.29Å; P25-R28 PolarHBondContact O-N 2.9Å; P25-T29 PolarHBondContact O-N 3.03Å; P25-T29 PolarHBondContact O-OG1 3.32Å
26D95.3Very high93.7Very high136 Ų13674.3 Ų74.373%0.72738%0.383SS*.Hα-helixtrans-67.4-35.3178.6-60-21.7000112Q24 T29 L30Q24-D26 PolarHBondContact O-N 2.89Å; Q24-D26 VanDerWaalsContact O-N 3.15Å; D26-T29 PolarHBondContact O-N 3.13Å; D26-L30 WeakPolarHBondContact O-CB 3.42Å; D26-L30 PolarHBondContact O-N 3.39Å
27Q95.4Very high94Very high98 Ų9877.1 Ų77.146%0.45839%0.392SS..Hα-helixtrans-70.5-36.9176.2-64.6178.3-53.300111.7L23 Q24 P25 T29 L30 Y31L23-Q27 HydrophobicContact CB-CB 4.24Å; L23-Q27 HydrophobicContact CD2-CB 4.25Å; Q24-Q27 HydrophobicContact CB-CG 4.29Å; Q24-Q27 WeakPolarHBondContact O-CA 3.42Å; Q24-Q27 WeakPolarHBondContact O-CB 3.19Å; Q24-Q27 PolarHBondContact O-N 2.65Å; P25-Q27 VanDerWaalsContact C-N 3.34Å; P25-Q27 PolarHBondContact O-N 3.29Å; Q27-T29 VanDerWaalsContact C-N 3.34Å; Q27-L30 PolarHBondContact O-N 3.41Å; Q27-Y31 WeakPolarHBondContact O-CB 3.43Å; Q27-Y31 PolarHBondContact O-N 3.48Å
28R93.9Very high94.3Very high68 Ų6874.5 Ų74.526%0.25738%0.38SS..Hα-helixtrans-65.6-39.7174.6-63.9179.6-178.1-172.74.5111.5W20 E21 L23 Q24 P25 Y31 R32 E63W20-R28 HydrophobicContact CD2-CG 4.47Å; W20-R28 HydrophobicContact CH2-CB 4.17Å; W20-R28 HydrophobicContact CH2-CG 4.3Å; W20-R28 HydrophobicContact CZ2-CB 3.65Å; W20-R28 HydrophobicContact CZ2-CG 3.57Å; W20-R28 VanDerWaalsContact NE1-CD 3.25Å; W20-R28 VanDerWaalsContact NE1-NE 3.12Å; W20-R28 PolarHBondContact O-NE 3.4Å; W20-R28 PolarHBondContact O-NH2 3.42Å; E21-R28 PolarHBondContact O-NH2 2.96Å; E21-R28 VanDerWaalsContact O-NH2 3.07Å; L23-R28 HydrophobicContact CB-CG 3.77Å; L23-R28 HydrophobicContact CD1-CG 4.33Å; L23-R28 PolarHBondContact O-NE 2.95Å; Q24-R28 PolarHBondContact O-N 3.44Å; P25-R28 PolarHBondContact O-N 2.9Å; R28-Y31 PolarHBondContact O-N 2.86Å; R28-R32 PolarHBondContact O-N 3Å; R28-R32 VanDerWaalsContact O-N 3.1Å; R28-E63 IonicContact NH1-OE1 3.64Å
29T94.4Very high94.4Very high77 Ų7770.4 Ų70.447%0.47236%0.36SS..Hα-helixtrans-63.2-49.4173.7-56.50000110.6P25 D26 Q27 Y31 R32 D33P25-T29 PolarHBondContact O-N 3.03Å; P25-T29 PolarHBondContact O-OG1 3.32Å; D26-T29 PolarHBondContact O-N 3.13Å; Q27-T29 VanDerWaalsContact C-N 3.34Å; T29-Y31 VanDerWaalsContact C-N 3.32Å; T29-Y31 PolarHBondContact O-N 3.11Å; T29-R32 WeakPolarHBondContact O-CB 3.34Å; T29-R32 PolarHBondContact O-N 3.36Å; T29-R32 VanDerWaalsContact O-N 3.11Å; T29-D33 PolarHBondContact O-N 2.99Å
30L96.1Very high94.4Very high108 Ų10868.3 Ų68.357%0.56536%0.357SS*.Hα-helixtrans-59-43.4177.3179.663.2000112D26 Q27 R32 D33 V34D26-L30 WeakPolarHBondContact O-CB 3.42Å; D26-L30 PolarHBondContact O-N 3.39Å; Q27-L30 PolarHBondContact O-N 3.41Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 3.34Å; L30-D33 PolarHBondContact O-N 3.47Å; L30-V34 HydrophobicContact CD1-CG2 3.87Å; L30-V34 HydrophobicContact CG-CG2 4.22Å; L30-V34 WeakPolarHBondContact O-CB 3.25Å; L30-V34 VanDerWaalsContact O-CG2 3.26Å; L30-V34 WeakPolarHBondContact O-CG2 3.27Å; L30-V34 PolarHBondContact O-N 3.1Å
31Y95.1Very high94.5Very high16 Ų1672.1 Ų72.16%0.06338%0.375CS..Hα-helixtrans-55.4-48.5175.3173.4-93.3000111.5I13 F15 W20 Q27 R28 T29 D33 V34 M35 L58 P64I13-Y31 HydrophobicContact CB-CE2 4.24Å; I13-Y31 WeakPolarHBondContact O-CE2 3.07Å; I13-Y31 PolarHBondContact O-OH 2.95Å; F15-Y31 AromaticContact CD2-CD2 3.8Å; F15-Y31 HydrophobicContact CD2-CD2 3.8Å; F15-Y31 AromaticContact CD2-CE2 3.72Å; F15-Y31 HydrophobicContact CD2-CE2 3.72Å; F15-Y31 AromaticContact CE2-CD2 3.46Å; F15-Y31 HydrophobicContact CE2-CD2 3.46Å; F15-Y31 VanDerWaalsContact CE2-CD2 3.46Å; F15-Y31 AromaticContact CE2-CE2 3.81Å; F15-Y31 HydrophobicContact CE2-CE2 3.81Å; F15-Y31 HydrophobicContact CE2-CG 4.24Å; W20-Y31 AromaticContact CH2-CD1 3.39Å; W20-Y31 HydrophobicContact CH2-CD1 3.39Å; W20-Y31 AromaticContact CH2-CE1 3.94Å; W20-Y31 HydrophobicContact CH2-CE1 3.94Å; W20-Y31 AromaticContact CH2-CG 3.93Å; W20-Y31 HydrophobicContact CH2-CG 3.93Å; W20-Y31 AromaticContact CZ3-CD1 3.28Å; W20-Y31 HydrophobicContact CZ3-CD1 3.28Å; W20-Y31 HydrophobicContact CZ3-CD2 4.19Å; W20-Y31 AromaticContact CZ3-CE1 3.56Å; W20-Y31 HydrophobicContact CZ3-CE1 3.56Å; W20-Y31 HydrophobicContact CZ3-CE2 4.41Å; W20-Y31 AromaticContact CZ3-CG 3.58Å; W20-Y31 HydrophobicContact CZ3-CG 3.58Å; Q27-Y31 WeakPolarHBondContact O-CB 3.43Å; Q27-Y31 PolarHBondContact O-N 3.48Å; R28-Y31 PolarHBondContact O-N 2.86Å; T29-Y31 VanDerWaalsContact C-N 3.32Å; T29-Y31 PolarHBondContact O-N 3.11Å; Y31-D33 PolarHBondContact O-N 3.32Å; Y31-V34 PolarHBondContact O-N 2.85Å; Y31-M35 HydrophobicContact CD1-CG 4.03Å; Y31-M35 HydrophobicContact CD2-CE 4.31Å; Y31-M35 HydrophobicContact CD2-CG 3.95Å; Y31-M35 HydrophobicContact CE1-CG 3.67Å; Y31-M35 HydrophobicContact CE2-CE 4.12Å; Y31-M35 HydrophobicContact CE2-CG 3.59Å; Y31-M35 HydrophobicContact CE2-SD 4.04Å; Y31-M35 HydrophobicContact CG-CG 4.21Å; Y31-M35 VanDerWaalsContact CZ-CG 3.45Å; Y31-M35 WeakPolarHBondContact O-CB 3.31Å; Y31-M35 VanDerWaalsContact O-CG 3.26Å; Y31-M35 WeakPolarHBondContact O-CG 2.96Å; Y31-M35 PolarHBondContact O-N 3.47Å; Y31-L58 HydrophobicContact CD1-CD1 4.36Å; Y31-L58 HydrophobicContact CD1-CD2 4.19Å; Y31-L58 HydrophobicContact CE1-CD1 3.92Å; Y31-L58 HydrophobicContact CE1-CD2 4.13Å; Y31-P64 HydrophobicContact CD1-CG 4.36Å; Y31-P64 HydrophobicContact CE1-CB 4.44Å; Y31-P64 HydrophobicContact CE1-CG 3.7Å
32R94.4Very high94.5Very high60 Ų6067.2 Ų67.223%0.22635%0.353CS..Hα-helixtrans-57.6-50.7179.4172.7174.9178.6179.7-3.5111.1R28 T29 L30 M35 L36 L58 E61R28-R32 PolarHBondContact O-N 3Å; R28-R32 VanDerWaalsContact O-N 3.1Å; T29-R32 WeakPolarHBondContact O-CB 3.34Å; T29-R32 PolarHBondContact O-N 3.36Å; T29-R32 VanDerWaalsContact O-N 3.11Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 3.34Å; R32-M35 PolarHBondContact O-N 3.05Å; R32-L36 HydrophobicContact CG-CD1 3.83Å; R32-L36 HydrophobicContact CG-CG 4.47Å; R32-L36 WeakPolarHBondContact O-CB 3.36Å; R32-L36 VanDerWaalsContact O-CG 3.28Å; R32-L36 WeakPolarHBondContact O-CG 3.2Å; R32-L36 PolarHBondContact O-N 3.39Å; R32-L58 HydrophobicContact CB-CD2 3.95Å; R32-L58 HydrophobicContact CG-CB 4.29Å; R32-L58 HydrophobicContact CG-CD2 4.05Å; R32-L58 PolarHBondContact NE-O 3.43Å; R32-L58 PolarHBondContact NH2-O 3.46Å; R32-E61 IonicContact CZ-OE1 2.76Å; R32-E61 VanDerWaalsContact CZ-OE1 3.28Å; R32-E61 VanDerWaalsContact NH1-CB 3.25Å; R32-E61 VanDerWaalsContact NH1-CG 3.29Å; R32-E61 IonicContact NH1-OE1 3.84Å; R32-E61 PolarHBondContact NH1-OE1 3.38Å; R32-E61 IonicContact NH2-OE1 3.28Å; R32-E61 PolarHBondContact NH2-OE1 2.91Å
33D95.3Very high94.3Very high89 Ų8966.2 Ų66.248%0.47634%0.34SS..Hα-helixtrans-61.3-48.3-177.5-67.8-18.6000110.8T29 L30 Y31 M35 L36 E37T29-D33 PolarHBondContact O-N 2.99Å; L30-D33 PolarHBondContact O-N 3.47Å; Y31-D33 PolarHBondContact O-N 3.32Å; D33-M35 PolarHBondContact O-N 2.76Å; D33-L36 PolarHBondContact O-N 3.45Å; D33-E37 VanDerWaalsContact O-CB 3.25Å; D33-E37 WeakPolarHBondContact O-CB 3.28Å; D33-E37 PolarHBondContact O-N 2.96Å
34V95.4Very high94.2Very high47 Ų4769.6 Ų69.629%0.28537%0.365SS..Hα-helixtrans-63.4-42.3179.6174.50000111.6L30 Y31 E37 N38L30-V34 HydrophobicContact CD1-CG2 3.87Å; L30-V34 HydrophobicContact CG-CG2 4.22Å; L30-V34 WeakPolarHBondContact O-CB 3.25Å; L30-V34 VanDerWaalsContact O-CG2 3.26Å; L30-V34 WeakPolarHBondContact O-CG2 3.27Å; L30-V34 PolarHBondContact O-N 3.1Å; Y31-V34 PolarHBondContact O-N 2.85Å; V34-E37 PolarHBondContact O-N 2.89Å; V34-N38 VanDerWaalsContact O-CB 3.27Å; V34-N38 WeakPolarHBondContact O-CB 3.46Å; V34-N38 PolarHBondContact O-N 3.45Å; V34-N38 PolarHBondContact O-OD1 3.42Å
35M94.8Very high93.8Very high1 Ų170.4 Ų70.41%0.00537%0.373CS..Hα-helixtrans-67.5-40.3179.7-72.3-53.9111.400112.3F8 A12 I13 Y31 R32 D33 Y39 I55 L58F8-M35 HydrophobicContact CZ-SD 4.12Å; A12-M35 HydrophobicContact CB-SD 3.94Å; I13-M35 HydrophobicContact CB-CE 4.01Å; I13-M35 HydrophobicContact CG1-CE 4.17Å; Y31-M35 HydrophobicContact CD1-CG 4.03Å; Y31-M35 HydrophobicContact CD2-CE 4.31Å; Y31-M35 HydrophobicContact CD2-CG 3.95Å; Y31-M35 HydrophobicContact CE1-CG 3.67Å; Y31-M35 HydrophobicContact CE2-CE 4.12Å; Y31-M35 HydrophobicContact CE2-CG 3.59Å; Y31-M35 HydrophobicContact CE2-SD 4.04Å; Y31-M35 HydrophobicContact CG-CG 4.21Å; Y31-M35 VanDerWaalsContact CZ-CG 3.45Å; Y31-M35 WeakPolarHBondContact O-CB 3.31Å; Y31-M35 VanDerWaalsContact O-CG 3.26Å; Y31-M35 WeakPolarHBondContact O-CG 2.96Å; Y31-M35 PolarHBondContact O-N 3.47Å; R32-M35 PolarHBondContact O-N 3.05Å; D33-M35 PolarHBondContact O-N 2.76Å; M35-Y39 PolarHBondContact O-N 3.01Å; M35-I55 HydrophobicContact CB-CD1 4.27Å; M35-I55 VanDerWaalsContact O-CD1 3.31Å; M35-I55 WeakPolarHBondContact O-CD1 3.36Å; M35-L58 HydrophobicContact CB-CD1 3.52Å; M35-L58 HydrophobicContact CG-CD1 4.12Å
36L94.6Very high93.3Very high43 Ų4369.3 Ų69.323%0.22538%0.377CS..Hα-helixtrans-66.4-42.7176.2-70.1174.3000111.4R32 D33 Y39 S40 I55 L58 E59R32-L36 HydrophobicContact CG-CD1 3.83Å; R32-L36 HydrophobicContact CG-CG 4.47Å; R32-L36 WeakPolarHBondContact O-CB 3.36Å; R32-L36 VanDerWaalsContact O-CG 3.28Å; R32-L36 WeakPolarHBondContact O-CG 3.2Å; R32-L36 PolarHBondContact O-N 3.39Å; D33-L36 PolarHBondContact O-N 3.45Å; L36-Y39 PolarHBondContact O-N 3.22Å; L36-S40 PolarHBondContact O-N 2.97Å; L36-I55 HydrophobicContact CD2-CD1 4.43Å; L36-I55 HydrophobicContact CD2-CG2 4.19Å; L36-L58 HydrophobicContact CD2-CB 4.14Å; L36-L58 HydrophobicContact CG-CB 4.35Å; L36-E59 HydrophobicContact CD2-CG 3.66Å
37E96Very high92.6Very high104 Ų10463.9 Ų63.949%0.48635%0.35SS..Hα-helixtrans-62.5-45.9175.8-178172.5-154.600111.2D33 V34 Y39 S40 H41D33-E37 VanDerWaalsContact O-CB 3.25Å; D33-E37 WeakPolarHBondContact O-CB 3.28Å; D33-E37 PolarHBondContact O-N 2.96Å; V34-E37 PolarHBondContact O-N 2.89Å; E37-Y39 VanDerWaalsContact C-N 3.33Å; E37-Y39 PolarHBondContact O-N 2.89Å; E37-S40 WeakPolarHBondContact O-CB 3.14Å; E37-S40 PolarHBondContact O-N 3.18Å; E37-H41 WeakPolarHBondContact CG-CE1 3.23Å; E37-H41 VanDerWaalsContact O-CG 3.28Å; E37-H41 PolarHBondContact O-N 2.65Å; E37-H41 PolarHBondContact O-ND1 2.85Å; E37-H41 IonicContact OE1-CE1 3.34Å; E37-H41 PolarHBondContact OE1-CE1 3.24Å; E37-H41 IonicContact OE1-NE2 2.92Å
38N94.3Very high91.9Very high35 Ų3565.4 Ų65.419%0.18737%0.372CS..Hα-helixtrans-57.9-44.5175.8-76.6-7.8000112F8 V11 V34 H41 L42F8-N38 HydrophobicContact CE2-CB 4.36Å; V11-N38 HydrophobicContact CG2-CB 4.18Å; V11-N38 PolarHBondContact O-ND2 2.94Å; V34-N38 VanDerWaalsContact O-CB 3.27Å; V34-N38 WeakPolarHBondContact O-CB 3.46Å; V34-N38 PolarHBondContact O-N 3.45Å; V34-N38 PolarHBondContact O-OD1 3.42Å; N38-H41 PolarHBondContact O-N 3.1Å; N38-L42 WeakPolarHBondContact O-CG 3.26Å; N38-L42 PolarHBondContact O-N 3.14Å; N38-L42 VanDerWaalsContact O-N 3.09Å
39Y94.3Very high91.4Very high38 Ų3864 Ų6415%0.14937%0.369CS..Hα-helixtrans-62.2-46.4175.9177.2-105.6000111.8F8 M35 L36 E37 H41 L42 I43 K51 P52 I55F8-Y39 HydrophobicContact CD2-CD2 4.36Å; M35-Y39 PolarHBondContact O-N 3.01Å; L36-Y39 PolarHBondContact O-N 3.22Å; E37-Y39 VanDerWaalsContact C-N 3.33Å; E37-Y39 PolarHBondContact O-N 2.89Å; Y39-H41 VanDerWaalsContact C-N 3.32Å; Y39-H41 PolarHBondContact O-N 3.45Å; Y39-L42 PolarHBondContact O-N 3.23Å; Y39-I43 HydrophobicContact CD1-CG1 4.47Å; Y39-I43 HydrophobicContact CE1-CG1 4.02Å; Y39-I43 HydrophobicContact CE2-CD1 4.12Å; Y39-I43 HydrophobicContact CE2-CG1 4.15Å; Y39-I43 WeakPolarHBondContact O-CG1 3.41Å; Y39-I43 PolarHBondContact O-N 3.31Å; Y39-I43 VanDerWaalsContact O-N 3.1Å; Y39-K51 HydrophobicContact CE1-CG 4.41Å; Y39-K51 HydrophobicContact CE2-CG 4.43Å; Y39-P52 HydrophobicContact CD2-CG 4.43Å; Y39-I55 HydrophobicContact CD1-CG2 3.77Å; Y39-I55 HydrophobicContact CD2-CG1 4.1Å; Y39-I55 HydrophobicContact CD2-CG2 4.49Å; Y39-I55 HydrophobicContact CE1-CG2 4.14Å; Y39-I55 HydrophobicContact CG-CD1 4.26Å; Y39-I55 HydrophobicContact CG-CG1 3.95Å; Y39-I55 HydrophobicContact CG-CG2 3.96Å
40S93.7Very high91.2Very high64 Ų6465.1 Ų65.145%0.44838%0.38SS..Hα-helixtrans-58.6-42.7177.5-1750000112.4L36 E37 I43 S44L36-S40 PolarHBondContact O-N 2.97Å; E37-S40 WeakPolarHBondContact O-CB 3.14Å; E37-S40 PolarHBondContact O-N 3.18Å; S40-I43 PolarHBondContact O-N 3.21Å; S40-S44 WeakPolarHBondContact O-CB 3.2Å; S40-S44 PolarHBondContact O-N 2.76Å; S40-S44 PolarHBondContact O-OG 3.09Å
41H93.8Very high90.9Very high90 Ų9064.2 Ų64.242%0.41737%0.372SS..Hα-helixtrans-62.8-43.1176.8-69.8158.1000112.3E37 N38 Y39 I43 S44 L45E37-H41 WeakPolarHBondContact CG-CE1 3.23Å; E37-H41 VanDerWaalsContact O-CG 3.28Å; E37-H41 PolarHBondContact O-N 2.65Å; E37-H41 PolarHBondContact O-ND1 2.85Å; E37-H41 IonicContact OE1-CE1 3.34Å; E37-H41 PolarHBondContact OE1-CE1 3.24Å; E37-H41 IonicContact OE1-NE2 2.92Å; N38-H41 PolarHBondContact O-N 3.1Å; Y39-H41 VanDerWaalsContact C-N 3.32Å; Y39-H41 PolarHBondContact O-N 3.45Å; H41-I43 VanDerWaalsContact C-N 3.34Å; H41-I43 PolarHBondContact O-N 3.27Å; H41-S44 WeakPolarHBondContact O-CB 3.33Å; H41-S44 PolarHBondContact O-N 3.36Å; H41-S44 VanDerWaalsContact O-N 3.14Å; H41-L45 VanDerWaalsContact O-CG 3.28Å; H41-L45 WeakPolarHBondContact O-CG 3.4Å; H41-L45 PolarHBondContact O-N 3.18Å
42L91Very high90.7Very high7 Ų764.7 Ų64.74%0.03738%0.377CS..Hα-helixtrans-63.7-39.9177.4-67.1170.8000112.4V6 F8 V11 N38 Y39 S44 L45 S47 I49V6-L42 HydrophobicContact CB-CD2 4.48Å; V6-L42 HydrophobicContact CG1-CD2 3.97Å; F8-L42 VanDerWaalsContact CA-CD1 3.44Å; F8-L42 HydrophobicContact CB-CD1 3.85Å; F8-L42 HydrophobicContact CD2-CD1 3.85Å; F8-L42 HydrophobicContact CG-CD1 4.35Å; V11-L42 HydrophobicContact CG2-CD1 3.83Å; V11-L42 HydrophobicContact CG2-CG 4.45Å; N38-L42 WeakPolarHBondContact O-CG 3.26Å; N38-L42 PolarHBondContact O-N 3.14Å; N38-L42 VanDerWaalsContact O-N 3.09Å; Y39-L42 PolarHBondContact O-N 3.23Å; L42-S44 VanDerWaalsContact C-N 3.31Å; L42-L45 PolarHBondContact O-N 3.14Å; L42-S47 VanDerWaalsContact O-CB 3.24Å; L42-S47 WeakPolarHBondContact O-CB 3.39Å; L42-S47 PolarHBondContact O-N 2.92Å; L42-S47 VanDerWaalsContact O-N 3.08Å; L42-S47 PolarHBondContact O-OG 3.23Å; L42-I49 HydrophobicContact CB-CD1 3.76Å; L42-I49 HydrophobicContact CD1-CD1 3.67Å; L42-I49 HydrophobicContact CD2-CD1 4.39Å; L42-I49 HydrophobicContact CG-CD1 4.16Å
43I90.2Very high90.5Very high77 Ų7766.9 Ų66.940%0.39539%0.393SS..Hα-helixtrans-62.5-42.6173.3-63.5-60.3000110.6Y39 S40 H41 L45 G46Y39-I43 HydrophobicContact CD1-CG1 4.47Å; Y39-I43 HydrophobicContact CE1-CG1 4.02Å; Y39-I43 HydrophobicContact CE2-CD1 4.12Å; Y39-I43 HydrophobicContact CE2-CG1 4.15Å; Y39-I43 WeakPolarHBondContact O-CG1 3.41Å; Y39-I43 PolarHBondContact O-N 3.31Å; Y39-I43 VanDerWaalsContact O-N 3.1Å; S40-I43 PolarHBondContact O-N 3.21Å; H41-I43 VanDerWaalsContact C-N 3.34Å; H41-I43 PolarHBondContact O-N 3.27Å; I43-L45 VanDerWaalsContact C-N 3.28Å; I43-L45 PolarHBondContact O-N 3.44Å; I43-G46 PolarHBondContact O-N 2.9Å
44S90Very high90.3Very high95 Ų9564 Ų6466%0.66438%0.378SS*.Hα-helixtrans-65.6-30.4179.4-59.10000112.9S40 H41 L42 G46S40-S44 WeakPolarHBondContact O-CB 3.2Å; S40-S44 PolarHBondContact O-N 2.76Å; S40-S44 PolarHBondContact O-OG 3.09Å; H41-S44 WeakPolarHBondContact O-CB 3.33Å; H41-S44 PolarHBondContact O-N 3.36Å; H41-S44 VanDerWaalsContact O-N 3.14Å; L42-S44 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 3.4Å
45L88.6Confident90.2Very high138 Ų13861.8 Ų61.872%0.72337%0.365SS*.THydrogen-bonded Turntrans-74.60.2173.4-68.4171.4000113.1H41 L42 I43 S47H41-L45 VanDerWaalsContact O-CG 3.28Å; H41-L45 WeakPolarHBondContact O-CG 3.4Å; H41-L45 PolarHBondContact O-N 3.18Å; L42-L45 PolarHBondContact O-N 3.14Å; I43-L45 VanDerWaalsContact C-N 3.28Å; I43-L45 PolarHBondContact O-N 3.44Å; L45-S47 VanDerWaalsContact C-N 3.3Å
46G81.8Confident90.1Very high64 Ų6463.9 Ų63.966%0.6638%0.378SS*.THydrogen-bonded Turntrans7814.3-178.700000113.4I43 S44 S48I43-G46 PolarHBondContact O-N 2.9Å; S44-G46 PolarHBondContact O-N 3.4Å; G46-S48 PolarHBondContact O-N 3.42Å
47S80.8Confident90Very high23 Ų2362.9 Ų62.916%0.16137%0.373CS..  trans-69.2119.2174.2-60.30000109.3L42 L45 I49L42-S47 VanDerWaalsContact O-CB 3.24Å; L42-S47 WeakPolarHBondContact O-CB 3.39Å; L42-S47 PolarHBondContact O-N 2.92Å; L42-S47 VanDerWaalsContact O-N 3.08Å; L42-S47 PolarHBondContact O-OG 3.23Å; L45-S47 VanDerWaalsContact C-N 3.3Å; S47-I49 PolarHBondContact O-N 2.88Å
48S81.1Confident89.8Confident129 Ų12958.2 Ų58.290%0.90235%0.351SS*.  trans-7774174.960.10000110.3G46G46-S48 PolarHBondContact O-N 3.42Å
49I84.2Confident89.7Confident38 Ų3860.8 Ų60.820%0.19536%0.362CS..PPolyproline II helixtrans-102.7129.2-177.5-53.4-178.3000109.1F8 L42 S47F8-I49 HydrophobicContact CB-CG2 4.4Å; L42-I49 HydrophobicContact CB-CD1 3.76Å; L42-I49 HydrophobicContact CD1-CD1 3.67Å; L42-I49 HydrophobicContact CD2-CD1 4.39Å; L42-I49 HydrophobicContact CG-CD1 4.16Å; S47-I49 PolarHBondContact O-N 2.88Å
50S89.1Confident89.6Confident102 Ų10263.7 Ų63.771%0.71338%0.377SS*.PPolyproline II helixtrans-65.4136.7168.755.40000110P52S50-P52 WeakPolarHBondContact O-CD 3.48Å; S50-P52 VanDerWaalsContact O-N 3.15Å
51K90.4Very high89.2Confident89 Ų8967.7 Ų67.739%0.38739%0.388SS..PPolyproline II helixtrans-56.1117.9-179.6-166.8170.6-162.1163.40111.6Y39 I55 E59Y39-K51 HydrophobicContact CE1-CG 4.41Å; Y39-K51 HydrophobicContact CE2-CG 4.43Å; K51-I55 HydrophobicContact CG-CB 4.4Å; K51-I55 HydrophobicContact CG-CG2 4.09Å; K51-E59 VanDerWaalsContact CE-CD 3.46Å; K51-E59 WeakPolarHBondContact CE-OE1 3.41Å; K51-E59 WeakPolarHBondContact CE-OE2 3.46Å; K51-E59 IonicContact NZ-OE1 2.69Å; K51-E59 PolarHBondContact NZ-OE1 3.11Å; K51-E59 IonicContact NZ-OE2 2.58Å; K51-E59 PolarHBondContact NZ-OE2 3.45Å
52P90.7Very high89Confident26 Ų2668 Ų6817%0.16939%0.388CS..PPolyproline II helixtrans-66.3150.7178.6-20.832.4000112.5F8 Y39 S50 V54 I55 T56F8-P52 HydrophobicContact CB-CG 4.22Å; F8-P52 HydrophobicContact CD1-CB 4.17Å; F8-P52 HydrophobicContact CD1-CG 3.61Å; F8-P52 HydrophobicContact CD2-CG 4.43Å; F8-P52 HydrophobicContact CE1-CB 4.31Å; F8-P52 HydrophobicContact CE1-CG 4.08Å; F8-P52 HydrophobicContact CG-CG 3.82Å; Y39-P52 HydrophobicContact CD2-CG 4.43Å; S50-P52 WeakPolarHBondContact O-CD 3.48Å; S50-P52 VanDerWaalsContact O-N 3.15Å; P52-V54 VanDerWaalsContact C-N 3.29Å; P52-V54 HydrophobicContact CB-CG1 3.96Å; P52-V54 PolarHBondContact O-N 2.93Å; P52-I55 HydrophobicContact CB-CB 4.42Å; P52-I55 HydrophobicContact CB-CG1 4.05Å; P52-I55 HydrophobicContact CG-CG1 3.91Å; P52-I55 WeakPolarHBondContact O-CB 3.44Å; P52-I55 PolarHBondContact O-N 3.1Å; P52-I55 VanDerWaalsContact O-N 3.15Å; P52-T56 PolarHBondContact O-N 3.38Å; P52-T56 VanDerWaalsContact O-N 3.11Å; P52-T56 PolarHBondContact O-OG1 3.36Å
53D90.4Very high88.6Confident105 Ų10571.4 Ų71.456%0.56140%0.404SS*.Hα-helixtrans-59.7-40.9176.6-70.8-37.7000111.9I55 T56 L57 V67D53-I55 VanDerWaalsContact C-N 3.3Å; D53-I55 PolarHBondContact O-N 3.17Å; D53-T56 WeakPolarHBondContact O-CB 3.39Å; D53-T56 PolarHBondContact O-N 3.37Å; D53-T56 VanDerWaalsContact O-N 3.08Å; D53-L57 WeakPolarHBondContact O-CG 3.28Å; D53-L57 PolarHBondContact O-N 3.45Å; D53-V67 HydrophobicContact CB-CG1 3.87Å; D53-V67 HydrophobicContact CB-CG2 3.92Å
54V90.5Very high88.1Confident29 Ų2968.5 Ų68.518%0.17639%0.39CS..Hα-helixtrans-58.4-41.4176.162.70000111.9F8 P52 T56 L57 L58 P64F8-V54 HydrophobicContact CE1-CG1 3.79Å; F8-V54 HydrophobicContact CZ-CG1 4.37Å; P52-V54 VanDerWaalsContact C-N 3.29Å; P52-V54 HydrophobicContact CB-CG1 3.96Å; P52-V54 PolarHBondContact O-N 2.93Å; V54-T56 VanDerWaalsContact C-N 3.33Å; V54-T56 PolarHBondContact O-N 2.99Å; V54-L57 PolarHBondContact O-N 3.39Å; V54-L58 HydrophobicContact CG2-CD1 4.03Å; V54-L58 HydrophobicContact CG2-CG 4.27Å; V54-L58 WeakPolarHBondContact O-CB 3.43Å; V54-L58 VanDerWaalsContact O-CG 3.23Å; V54-L58 WeakPolarHBondContact O-CG 3.33Å; V54-L58 PolarHBondContact O-N 3.01Å; V54-P64 HydrophobicContact CG2-CB 3.97Å; V54-P64 HydrophobicContact CG2-CG 4.33Å
55I93.7Very high87.5Confident0 Ų067.4 Ų67.40%037%0.372CS..Hα-helixtrans-63.8-41.8176-65.1-57000110.7F8 M35 L36 Y39 K51 P52 D53 L57 L58 E59F8-I55 HydrophobicContact CE1-CD1 4.38Å; F8-I55 HydrophobicContact CE1-CG1 4.3Å; F8-I55 HydrophobicContact CE2-CD1 3.71Å; F8-I55 HydrophobicContact CE2-CG1 4.04Å; F8-I55 HydrophobicContact CZ-CD1 3.48Å; F8-I55 VanDerWaalsContact CZ-CD1 3.48Å; F8-I55 HydrophobicContact CZ-CG1 3.81Å; M35-I55 HydrophobicContact CB-CD1 4.27Å; M35-I55 VanDerWaalsContact O-CD1 3.31Å; M35-I55 WeakPolarHBondContact O-CD1 3.36Å; L36-I55 HydrophobicContact CD2-CD1 4.43Å; L36-I55 HydrophobicContact CD2-CG2 4.19Å; Y39-I55 HydrophobicContact CD1-CG2 3.77Å; Y39-I55 HydrophobicContact CD2-CG1 4.1Å; Y39-I55 HydrophobicContact CD2-CG2 4.49Å; Y39-I55 HydrophobicContact CE1-CG2 4.14Å; Y39-I55 HydrophobicContact CG-CD1 4.26Å; Y39-I55 HydrophobicContact CG-CG1 3.95Å; Y39-I55 HydrophobicContact CG-CG2 3.96Å; K51-I55 HydrophobicContact CG-CB 4.4Å; K51-I55 HydrophobicContact CG-CG2 4.09Å; P52-I55 HydrophobicContact CB-CB 4.42Å; P52-I55 HydrophobicContact CB-CG1 4.05Å; P52-I55 HydrophobicContact CG-CG1 3.91Å; P52-I55 WeakPolarHBondContact O-CB 3.44Å; P52-I55 PolarHBondContact O-N 3.1Å; P52-I55 VanDerWaalsContact O-N 3.15Å; D53-I55 VanDerWaalsContact C-N 3.3Å; D53-I55 PolarHBondContact O-N 3.17Å; I55-L57 VanDerWaalsContact C-N 3.31Å; I55-L57 PolarHBondContact O-N 2.99Å; I55-L58 PolarHBondContact O-N 3.38Å; I55-E59 WeakPolarHBondContact O-CG 3.37Å; I55-E59 PolarHBondContact O-N 3.19Å
56T92.4Very high86.5Confident45 Ų4565.5 Ų65.528%0.27636%0.36SS..Hα-helixtrans-63.6-37.1177.9-55.70000112.1P52 D53 V54 Q60P52-T56 PolarHBondContact O-N 3.38Å; P52-T56 VanDerWaalsContact O-N 3.11Å; P52-T56 PolarHBondContact O-OG1 3.36Å; D53-T56 WeakPolarHBondContact O-CB 3.39Å; D53-T56 PolarHBondContact O-N 3.37Å; D53-T56 VanDerWaalsContact O-N 3.08Å; V54-T56 VanDerWaalsContact C-N 3.33Å; V54-T56 PolarHBondContact O-N 2.99Å; T56-Q60 WeakPolarHBondContact O-CG 3.48Å; T56-Q60 PolarHBondContact O-N 3.08Å; T56-Q60 PolarHBondContact O-NE2 3.48Å
57L92.1Very high85.8Confident23 Ų2365.3 Ų65.312%0.1235%0.346CS..Hα-helixtrans-70.1-46.3175.2-69.2178.2000111.8D53 V54 I55 E59 Q60 E61 K62 M66 V67D53-L57 WeakPolarHBondContact O-CG 3.28Å; D53-L57 PolarHBondContact O-N 3.45Å; V54-L57 PolarHBondContact O-N 3.39Å; I55-L57 VanDerWaalsContact C-N 3.31Å; I55-L57 PolarHBondContact O-N 2.99Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 2.89Å; L57-Q60 CarbonylContact O-C 3.43Å; L57-Q60 WeakPolarHBondContact O-CA 3.42Å; L57-Q60 WeakPolarHBondContact O-CB 3.22Å; L57-Q60 PolarHBondContact O-N 3.36Å; L57-E61 PolarHBondContact O-N 3.15Å; L57-K62 HydrophobicContact CB-CB 4.15Å; L57-K62 HydrophobicContact CD2-CB 4Å; L57-K62 HydrophobicContact CD2-CD 4.03Å; L57-K62 PolarHBondContact O-N 3.37Å; L57-M66 HydrophobicContact CD1-CB 4.5Å; L57-V67 HydrophobicContact CD1-CB 4.23Å; L57-V67 HydrophobicContact CD1-CG2 3.29Å; L57-V67 HydrophobicContact CG-CG2 4.37Å
58L92.6Very high84.7Confident5 Ų570.1 Ų70.13%0.02637%0.374CS..Hα-helixtrans-61.4-39.3-179.4-73176.9000112.2Y31 R32 M35 L36 V54 I55 Q60 E61 P64Y31-L58 HydrophobicContact CD1-CD1 4.36Å; Y31-L58 HydrophobicContact CD1-CD2 4.19Å; Y31-L58 HydrophobicContact CE1-CD1 3.92Å; Y31-L58 HydrophobicContact CE1-CD2 4.13Å; R32-L58 HydrophobicContact CB-CD2 3.95Å; R32-L58 HydrophobicContact CG-CB 4.29Å; R32-L58 HydrophobicContact CG-CD2 4.05Å; R32-L58 PolarHBondContact NE-O 3.43Å; R32-L58 PolarHBondContact NH2-O 3.46Å; M35-L58 HydrophobicContact CB-CD1 3.52Å; M35-L58 HydrophobicContact CG-CD1 4.12Å; L36-L58 HydrophobicContact CD2-CB 4.14Å; L36-L58 HydrophobicContact CG-CB 4.35Å; V54-L58 HydrophobicContact CG2-CD1 4.03Å; V54-L58 HydrophobicContact CG2-CG 4.27Å; V54-L58 WeakPolarHBondContact O-CB 3.43Å; V54-L58 VanDerWaalsContact O-CG 3.23Å; V54-L58 WeakPolarHBondContact O-CG 3.33Å; V54-L58 PolarHBondContact O-N 3.01Å; I55-L58 PolarHBondContact O-N 3.38Å; L58-Q60 PolarHBondContact O-N 3.42Å; L58-E61 PolarHBondContact O-N 3.08Å; L58-E61 VanDerWaalsContact O-N 3.08Å; L58-P64 HydrophobicContact CD2-CG 3.71Å; L58-P64 HydrophobicContact CG-CG 4.35Å
59E92.3Very high83.5Confident90 Ų9073.4 Ų73.442%0.42137%0.367SS..Hα-helixtrans-63.1-31.4172.9-73.6176.5165.700113.3L36 K51 I55 L57 E61L36-E59 HydrophobicContact CD2-CG 3.66Å; K51-E59 VanDerWaalsContact CE-CD 3.46Å; K51-E59 WeakPolarHBondContact CE-OE1 3.41Å; K51-E59 WeakPolarHBondContact CE-OE2 3.46Å; K51-E59 IonicContact NZ-OE1 2.69Å; K51-E59 PolarHBondContact NZ-OE1 3.11Å; K51-E59 IonicContact NZ-OE2 2.58Å; K51-E59 PolarHBondContact NZ-OE2 3.45Å; I55-E59 WeakPolarHBondContact O-CG 3.37Å; I55-E59 PolarHBondContact O-N 3.19Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 2.89Å; E59-E61 PolarHBondContact O-N 3.19Å
60Q91.2Very high81.8Confident98 Ų9881.2 Ų81.246%0.45840%0.399SS..THydrogen-bonded Turntrans-84.86.5176.1-67.417534.100112.8T56 L57 L58 K62T56-Q60 WeakPolarHBondContact O-CG 3.48Å; T56-Q60 PolarHBondContact O-N 3.08Å; T56-Q60 PolarHBondContact O-NE2 3.48Å; L57-Q60 CarbonylContact O-C 3.43Å; L57-Q60 WeakPolarHBondContact O-CA 3.42Å; L57-Q60 WeakPolarHBondContact O-CB 3.22Å; L57-Q60 PolarHBondContact O-N 3.36Å; L58-Q60 PolarHBondContact O-N 3.42Å; Q60-K62 HydrophobicContact CB-CD 4.02Å; Q60-K62 HydrophobicContact CB-CG 4Å; Q60-K62 PolarHBondContact O-N 3.23Å
61E87.3Confident79.9Confident148 Ų14884.6 Ų84.669%0.69240%0.404SS*.THydrogen-bonded Turntrans60.224.2-175.7-30.6-147.510100112.9R32 L57 L58 E59R32-E61 IonicContact CZ-OE1 2.76Å; R32-E61 VanDerWaalsContact CZ-OE1 3.28Å; R32-E61 VanDerWaalsContact NH1-CB 3.25Å; R32-E61 VanDerWaalsContact NH1-CG 3.29Å; R32-E61 IonicContact NH1-OE1 3.84Å; R32-E61 PolarHBondContact NH1-OE1 3.38Å; R32-E61 IonicContact NH2-OE1 3.28Å; R32-E61 PolarHBondContact NH2-OE1 2.91Å; L57-E61 PolarHBondContact O-N 3.15Å; L58-E61 PolarHBondContact O-N 3.08Å; L58-E61 VanDerWaalsContact O-N 3.08Å; E59-E61 PolarHBondContact O-N 3.19Å
62K88.1Confident77.6Confident97 Ų9785.3 Ų85.342%0.42242%0.416SS..  trans-93.3154.8179-69.1177.9-179.6168.70110.9L57 Q60L57-K62 HydrophobicContact CB-CB 4.15Å; L57-K62 HydrophobicContact CD2-CB 4Å; L57-K62 HydrophobicContact CD2-CD 4.03Å; L57-K62 PolarHBondContact O-N 3.37Å; Q60-K62 HydrophobicContact CB-CD 4.02Å; Q60-K62 HydrophobicContact CB-CG 4Å; Q60-K62 PolarHBondContact O-N 3.23Å
63E83.9Confident75.6Confident78 Ų7890.3 Ų90.336%0.36445%0.451SS..  trans-72.2127.3-178-79-172.7145.700111.6R28 W65 M66R28-E63 IonicContact NH1-OE1 3.64Å; E63-W65 VanDerWaalsContact C-N 3.31Å; E63-W65 HydrophobicContact CB-CD2 4.07Å; E63-W65 HydrophobicContact CB-CE3 3.86Å; E63-W65 HydrophobicContact CB-CH2 3.29Å; E63-W65 HydrophobicContact CB-CZ2 3.6Å; E63-W65 HydrophobicContact CB-CZ3 3.33Å; E63-W65 HydrophobicContact CG-CH2 3.2Å; E63-W65 HydrophobicContact CG-CZ2 3.71Å; E63-W65 HydrophobicContact CG-CZ3 3.64Å; E63-W65 PolarHBondContact O-N 3.37Å; E63-W65 WeakPolarHBondContact OE1-CH2 3.43Å; E63-W65 WeakPolarHBondContact OE1-CZ2 3.14Å; E63-W65 WeakPolarHBondContact OE2-CH2 3.24Å; E63-W65 WeakPolarHBondContact OE2-CZ2 3.21Å; E63-M66 HydrophobicContact CB-CG 3.9Å; E63-M66 HydrophobicContact CB-SD 3.97Å; E63-M66 WeakPolarHBondContact O-CB 3.49Å; E63-M66 WeakPolarHBondContact O-CG 3.39Å; E63-M66 PolarHBondContact O-N 2.91Å
64P79.2Confident73.8Confident17 Ų1796.2 Ų96.211%0.1147%0.466CS..G310 helixtrans-54.9-31.1-174.1-34.438.1000117.2W20 Y31 V54 L58 M66 V67W20-P64 HydrophobicContact CE3-CG 4.41Å; W20-P64 HydrophobicContact CH2-CG 3.72Å; W20-P64 HydrophobicContact CZ2-CG 4.25Å; W20-P64 HydrophobicContact CZ3-CG 3.84Å; Y31-P64 HydrophobicContact CD1-CG 4.36Å; Y31-P64 HydrophobicContact CE1-CB 4.44Å; Y31-P64 HydrophobicContact CE1-CG 3.7Å; V54-P64 HydrophobicContact CG2-CB 3.97Å; V54-P64 HydrophobicContact CG2-CG 4.33Å; L58-P64 HydrophobicContact CD2-CG 3.71Å; L58-P64 HydrophobicContact CG-CG 4.35Å; P64-M66 PolarHBondContact O-N 3.27Å; P64-V67 WeakPolarHBondContact O-CG2 3.45Å
65W76.7Confident71.9Confident72 Ų72105.3 Ų105.327%0.27350%0.497SS..G310 helixtrans-78.4-6.5178.862.199.3000112.4Q17 W20 E63 V67Q17-W65 HydrophobicContact CB-CB 4.44Å; Q17-W65 HydrophobicContact CB-CG 4.46Å; Q17-W65 HydrophobicContact CG-CG 4.17Å; W20-W65 HydrophobicContact CB-CE3 4.11Å; W20-W65 HydrophobicContact CB-CZ3 4.16Å; W20-W65 AromaticContact CD1-CE3 3.65Å; W20-W65 AromaticContact CD1-CH2 2.9Å; W20-W65 AromaticContact CD1-CZ2 3.86Å; W20-W65 AromaticContact CD1-CZ3 2.87Å; W20-W65 AromaticContact CD2-CE3 3.92Å; W20-W65 HydrophobicContact CD2-CE3 3.92Å; W20-W65 HydrophobicContact CD2-CH2 4.21Å; W20-W65 AromaticContact CD2-CZ3 3.41Å; W20-W65 HydrophobicContact CD2-CZ3 3.41Å; W20-W65 VanDerWaalsContact CD2-CZ3 3.41Å; W20-W65 AromaticContact CE2-CH2 3.76Å; W20-W65 AromaticContact CE2-CZ3 3.18Å; W20-W65 HydrophobicContact CE3-CZ3 4.41Å; W20-W65 AromaticContact CG-CE3 3.58Å; W20-W65 HydrophobicContact CG-CE3 3.58Å; W20-W65 AromaticContact CG-CH2 3.72Å; W20-W65 HydrophobicContact CG-CH2 3.72Å; W20-W65 AromaticContact CG-CZ3 3.2Å; W20-W65 HydrophobicContact CG-CZ3 3.2Å; W20-W65 AromaticContact CZ2-CZ3 3.94Å; W20-W65 HydrophobicContact CZ2-CZ3 3.94Å; W20-W65 AromaticContact NE1-CE3 4Å; W20-W65 AromaticContact NE1-CH2 2.94Å; W20-W65 AromaticContact NE1-CZ3 2.87Å; E63-W65 VanDerWaalsContact C-N 3.31Å; E63-W65 HydrophobicContact CB-CD2 4.07Å; E63-W65 HydrophobicContact CB-CE3 3.86Å; E63-W65 HydrophobicContact CB-CH2 3.29Å; E63-W65 HydrophobicContact CB-CZ2 3.6Å; E63-W65 HydrophobicContact CB-CZ3 3.33Å; E63-W65 HydrophobicContact CG-CH2 3.2Å; E63-W65 HydrophobicContact CG-CZ2 3.71Å; E63-W65 HydrophobicContact CG-CZ3 3.64Å; E63-W65 PolarHBondContact O-N 3.37Å; E63-W65 WeakPolarHBondContact OE1-CH2 3.43Å; E63-W65 WeakPolarHBondContact OE1-CZ2 3.14Å; E63-W65 WeakPolarHBondContact OE2-CH2 3.24Å; E63-W65 WeakPolarHBondContact OE2-CZ2 3.21Å; W65-V67 PolarHBondContact O-N 3.43Å
66M68.6Low69.7Low98 Ų98116.6 Ų116.648%0.48354%0.542SS..G310 helixtrans-76.412173.3-59.8-174.568.800113.3L57 E63 P64 V68L57-M66 HydrophobicContact CD1-CB 4.5Å; E63-M66 HydrophobicContact CB-CG 3.9Å; E63-M66 HydrophobicContact CB-SD 3.97Å; E63-M66 WeakPolarHBondContact O-CB 3.49Å; E63-M66 WeakPolarHBondContact O-CG 3.39Å; E63-M66 PolarHBondContact O-N 2.91Å; P64-M66 PolarHBondContact O-N 3.27Å; M66-V68 PolarHBondContact O-N 2.93Å
67V67.2Low67.8Low59 Ų59120 Ų12036%0.35856%0.564SS.*  trans-64.781.5167.5-1750000107.7D53 L57 P64 W65 R69D53-V67 HydrophobicContact CB-CG1 3.87Å; D53-V67 HydrophobicContact CB-CG2 3.92Å; L57-V67 HydrophobicContact CD1-CB 4.23Å; L57-V67 HydrophobicContact CD1-CG2 3.29Å; L57-V67 HydrophobicContact CG-CG2 4.37Å; P64-V67 WeakPolarHBondContact O-CG2 3.45Å; W65-V67 PolarHBondContact O-N 3.43Å; V67-R69 VanDerWaalsContact C-N 3.25Å; V67-R69 PolarHBondContact O-N 3.32Å
68V57.4Low65.9Low125 Ų125124.3 Ų124.376%0.75859%0.588SS**  trans-65.397.7165.7174.70000105.1M66 K70M66-V68 PolarHBondContact O-N 2.93Å; V68-K70 PolarHBondContact O-N 2.68Å
69R55.2Low64Low197 Ų197132.3 Ų132.374%0.74363%0.629SS**  trans-25.589.4171.6-163.9-171.5-78.7-120.64.5111.3V67 E71V67-R69 VanDerWaalsContact C-N 3.25Å; V67-R69 PolarHBondContact O-N 3.32Å; R69-E71 PolarHBondContact O-N 3.48Å
70K49Very low61.9Low202 Ų202135 Ų13588%0.87864%0.642SS**THydrogen-bonded Turntrans-78.851.1174.6-81.7-173.8177.2175.20110.3V68V68-K70 PolarHBondContact O-N 2.68Å
71E49.8Very low59.9Low173 Ų173136.7 Ų136.781%0.80865%0.653SS**THydrogen-bonded Turntrans-151.226.6172.9-156.4145-164.100115.3R69R69-E71 PolarHBondContact O-N 3.48Å
72T41.5Very low58.2Low104 Ų104138.3 Ų138.364%0.63866%0.658SS**  trans-144.427.5159.355.10000113.9R74T72-R74 PolarHBondContact O-N 2.78Å
73S48.9Very low56Low131 Ų131143.2 Ų143.292%0.91668%0.675SS**  trans-70.743.7160-174.90000111.6
74R51.9Low54.4Low230 Ų230142.3 Ų142.387%0.86869%0.687SS**SBendtrans-146.355.7172-161-170.7-100.9-165.9-3.2110.5T72T72-R74 PolarHBondContact O-N 2.78Å
75R50.3Low53Low219 Ų219147.4 Ų147.483%0.82672%0.72SS**SBendtrans154.697.6142.1-91.1-168.8-177.1-146.12.6108.3
76Y47.8Very low51.6Low238 Ų238153.3 Ų153.393%0.93375%0.751SS**  trans-163.394.5133.1-96.7-75.2000105.5
77P51.6Low50.8Low116 Ų116157.9 Ų157.975%0.75377%0.768SS**  trans-77.9135.4162.531.7-25.1000108.2
78D52.8Low49.5Very low114 Ų114161.8 Ų161.861%0.6179%0.792SS**  trans73.692.9153.9-162.738000118.5E80D78-E80 WeakPolarHBondContact OD1-CG 3.34Å; D78-E80 PolarHBondContact OD1-N 2.91Å
79L52.8Low48.5Very low172 Ų172161.1 Ų161.190%0.90179%0.793SS**  trans-125.179.1137.2-71.5174.3000106.8L81L79-L81 VanDerWaalsContact C-N 3.31Å; L79-L81 PolarHBondContact O-N 2.91Å
80E49.3Very low48.7Very low146 Ų146157.4 Ų157.468%0.68279%0.794SS**  trans-53.894.2159.1-90.2-173.770.600109.5D78 K82D78-E80 WeakPolarHBondContact OD1-CG 3.34Å; D78-E80 PolarHBondContact OD1-N 2.91Å; E80-K82 PolarHBondContact O-N 2.9Å
81L47.6Very low48.2Very low134 Ų134156.3 Ų156.370%0.70279%0.792SS**  trans-69.687.7160-86.2167.6000108.1L79 Y83L79-L81 VanDerWaalsContact C-N 3.31Å; L79-L81 PolarHBondContact O-N 2.91Å; L81-Y83 VanDerWaalsContact C-N 3.28Å; L81-Y83 HydrophobicContact CB-CD2 4.05Å; L81-Y83 HydrophobicContact CB-CE2 3.77Å; L81-Y83 HydrophobicContact CD1-CE2 4.14Å; L81-Y83 HydrophobicContact CD2-CE2 4.27Å; L81-Y83 HydrophobicContact CG-CE2 4.29Å; L81-Y83 PolarHBondContact O-N 3.06Å
82K51.5Low48Very low182 Ų182154.2 Ų154.279%0.79179%0.786SS**  trans-69.382.4172.5-125.5176.1-170.4-72.60109.2E80 G84E80-K82 PolarHBondContact O-N 2.9Å; K82-G84 PolarHBondContact O-N 2.93Å; K82-G84 VanDerWaalsContact O-N 3.14Å
83Y43.6Very low48Very low200 Ų200155.9 Ų155.978%0.78479%0.792SS**  trans-74.899.5166.4-74.3-80.1000109.2L81L81-Y83 VanDerWaalsContact C-N 3.28Å; L81-Y83 HydrophobicContact CB-CD2 4.05Å; L81-Y83 HydrophobicContact CB-CE2 3.77Å; L81-Y83 HydrophobicContact CD1-CE2 4.14Å; L81-Y83 HydrophobicContact CD2-CE2 4.27Å; L81-Y83 HydrophobicContact CG-CE2 4.29Å; L81-Y83 PolarHBondContact O-N 3.06Å
84G48.9Very low48.1Very low60 Ų60156.3 Ų156.362%0.61979%0.789SS**  trans-85.1152.3159.400000110.3K82 E86K82-G84 PolarHBondContact O-N 2.93Å; K82-G84 VanDerWaalsContact O-N 3.14Å; G84-E86 PolarHBondContact O-N 2.84Å
85P50.4Low48.2Very low124 Ų124150.6 Ų150.681%0.80578%0.784SS**  trans-84.298.8179.333.1-29.1000109.4
86E48.2Very low48.2Very low195 Ų195147.6 Ų147.691%0.91178%0.779SS**  trans-103122.4160.5-90.5-175.7100.300110.5G84G84-E86 PolarHBondContact O-N 2.84Å
87K50.5Low48.1Very low194 Ų194142.3 Ų142.384%0.84377%0.772SS**  trans-83.1124177.3-57.3-79.8-172176.70107.7
88V40.4Very low47.8Very low142 Ų142143 Ų14386%0.86177%0.769SS**  trans-160.5138.5148.829.90000110.4
89S36.9Very low47.7Very low110 Ų110144.5 Ų144.577%0.76978%0.776SS**  trans-66.1177-162.2-78.60000117.2
90P58Low47.4Very low120 Ų120141.6 Ų141.678%0.77977%0.767SS**  trans-102.1143.9-149.137.8-30.8000114
91E40.3Very low47.5Very low179 Ų179143.9 Ų143.984%0.83678%0.775SS**  trans-143.1116.2168.1-41.8-167.7126.400109.1
92N43.8Very low47.7Very low128 Ų128146.4 Ų146.468%0.68478%0.784SS**  trans-9.5133.2154.947.2-70.8000117.5
93D41.3Very low47.6Very low140 Ų140143.9 Ų143.975%0.74978%0.783SS**  -172.8125.6107.5-93.1-52.6000111.9S95D93-S95 PolarHBondContact O-N 3.26Å
94T51.1Low48.2Very low139 Ų139142.1 Ų142.185%0.85379%0.785SS**  trans-62.7112.2176.9-44.30000109.5
95S54.8Low48.5Very low110 Ų110147.6 Ų147.677%0.76979%0.792SS**  trans-108.891.216727.20000109.3D93 V97D93-S95 PolarHBondContact O-N 3.26Å; S95-V97 PolarHBondContact O-N 3Å; S95-V97 VanDerWaalsContact O-N 3.09Å
96E49.9Very low48.2Very low157 Ų157149.9 Ų149.973%0.73479%0.792SS**  trans-61.699.4168.4-171.4178.292.300109.2N98E96-N98 PolarHBondContact O-N 3.38Å
97V46.6Very low48.2Very low127 Ų127148.6 Ų148.677%0.7779%0.79SS**  trans-68.9104168.3154.90000108S95 L99S95-V97 PolarHBondContact O-N 3Å; S95-V97 VanDerWaalsContact O-N 3.09Å; V97-L99 PolarHBondContact O-N 3.35Å; V97-L99 VanDerWaalsContact O-N 3.09Å
98N45.7Very low47.8Very low130 Ų130144.5 Ų144.570%0.69579%0.786SS**  trans-65.4101.5168.3-90.1-98.1000108.9E96 P100E96-N98 PolarHBondContact O-N 3.38Å; N98-P100 WeakPolarHBondContact O-CD 3.48Å
99L50.2Low48.1Very low146 Ų146147.9 Ų147.976%0.76481%0.807SS**  trans-79.7120.7169.4-160.776.4000108.7V97 K101V97-L99 PolarHBondContact O-N 3.35Å; V97-L99 VanDerWaalsContact O-N 3.09Å; L99-K101 PolarHBondContact O-N 3.08Å; L99-K101 VanDerWaalsContact O-N 3.13Å
100P46.9Very low48.7Very low110 Ų110149.8 Ų149.871%0.71481%0.808SS**  trans-65.4117.5174.624.1-29.5000109.5N98 Q102N98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-Q102 PolarHBondContact O-N 3.49Å
101K50.3Low48.2Very low195 Ų195151.3 Ų151.385%0.84881%0.81SS**  trans-66.994173.2-64-179.7-178.5-178.30109.2L99 V103L99-K101 PolarHBondContact O-N 3.08Å; L99-K101 VanDerWaalsContact O-N 3.13Å; K101-V103 PolarHBondContact O-N 2.58Å
102Q52.9Low48.6Very low187 Ų187149.8 Ų149.887%0.87481%0.808SS**  trans-81100.6158.5-79.7-161.6-78.300108.8P100 I104P100-Q102 PolarHBondContact O-N 3.49Å; Q102-I104 PolarHBondContact O-N 2.69Å; Q102-I104 VanDerWaalsContact O-N 3.08Å
103V48.7Very low48.9Very low128 Ų128151.1 Ų151.178%0.77682%0.816SS**  trans-55.6103.6167.1174.10000108.4K101 K105K101-V103 PolarHBondContact O-N 2.58Å; V103-K105 PolarHBondContact O-N 3.26Å; V103-K105 VanDerWaalsContact O-N 3.1Å
104I55.6Low49.4Very low163 Ų163151.8 Ų151.884%0.83682%0.82SS**  trans-72.9105.6164.7-60.2178.6000106.3Q102 Q106Q102-I104 PolarHBondContact O-N 2.69Å; Q102-I104 VanDerWaalsContact O-N 3.08Å; I104-Q106 PolarHBondContact O-N 2.9Å
105K55.6Low49.3Very low175 Ų175152.6 Ų152.676%0.76182%0.818SS**  trans-54.6123.2178.9-175.6177.9171.1-1750110V103 I107V103-K105 PolarHBondContact O-N 3.26Å; V103-K105 VanDerWaalsContact O-N 3.1Å; K105-I107 PolarHBondContact O-N 2.78Å
106Q44.5Very low48.9Very low173 Ų173155.6 Ų155.681%0.80882%0.821SS**  trans-44.5123.9162.4-69.1-82.1-11.700110I104I104-Q106 PolarHBondContact O-N 2.9Å
107I48Very low48.8Very low168 Ų168155.5 Ų155.586%0.86283%0.828SS**  trans-104.799.5158.341.6170000107.3K105K105-I107 PolarHBondContact O-N 2.78Å
108S42.1Very low49Very low108 Ų108157.9 Ų157.976%0.75583%0.833SS**  trans-106.7118.7161.8-174.70000106.8
109T47.7Very low49.3Very low212 Ų212160.5 Ų160.5100%1.30185%0.845SS**  trans-173.80138.6-67.30000107.1

Retrieved 109 of 109 residues in 87.8 ms (Link to these results)

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