A0A077ZFT2_TRITR Loading...

Pol protein

AlphaFold DB , UniProt , Accession A0A077ZFT2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1R58.6Low59.1Low286 Ų286142 Ų142100%1.07977%0.77SS**  090.20-91.4-162.7179.3-147.90.2104.9
2D60.8Low58.1Low166 Ų166144.1 Ų144.189%0.88878%0.78SS**  trans-73.3143.2-176.5-51.3-76.9000108.4
3V78.7Confident57.2Low132 Ų132137.5 Ų137.580%0.874%0.744SS**  trans-120.8115.3177.1177.70000104.3
4D71.1Confident57.3Low148 Ų148145.4 Ų145.479%0.79176%0.757SS**  trans-56.8133.8179-73.1-54000109.7V6D4-V6 PolarHBondContact O-N 2.93Å
5P71.6Confident57.7Low110 Ų110139.7 Ų139.771%0.71473%0.725SS**  trans-62.5132.3176.627.2-33.7000108.7T7P5-T7 PolarHBondContact O-N 3.35Å
6V62.9Low59.1Low134 Ų134141.8 Ų141.881%0.81272%0.721SS**  trans-63.7108.7178.366.70000108.9D4 S8D4-V6 PolarHBondContact O-N 2.93Å; V6-S8 PolarHBondContact O-N 3.21Å; V6-S8 VanDerWaalsContact O-N 3.08Å
7T54.6Low60.7Low107 Ų107133.9 Ų133.966%0.65668%0.68SS**  trans-71.3106.1170.546.10000107.2P5 T9P5-T7 PolarHBondContact O-N 3.35Å; T7-T9 PolarHBondContact O-N 3.44Å; T7-T9 PolarHBondContact O-OG1 2.8Å
8S51.2Low62.1Low110 Ų110131.8 Ų131.877%0.76967%0.671SS**  trans-64.273.1164.1-62.30000108.7V6 N10V6-S8 PolarHBondContact O-N 3.21Å; V6-S8 VanDerWaalsContact O-N 3.08Å; S8-N10 PolarHBondContact O-N 3.14Å; S8-N10 VanDerWaalsContact O-N 3.14Å
9T47.3Very low63.6Low83 Ų83129.9 Ų129.951%0.50967%0.666SS.*  trans-61.3114.7171.333.80000106.6T7 Q11T7-T9 PolarHBondContact O-N 3.44Å; T7-T9 PolarHBondContact O-OG1 2.8Å; T9-Q11 PolarHBondContact O-N 2.69Å; T9-Q11 WeakPolarHBondContact OG1-CG 3.43Å; T9-Q11 PolarHBondContact OG1-NE2 3.08Å; T9-Q11 VanDerWaalsContact OG1-NE2 3.1Å
10N48.3Very low64.9Low169 Ų169125.9 Ų125.990%0.90466%0.658SS**  trans-64.382.9155.9-71.7-46.2000105.9S8 D12S8-N10 PolarHBondContact O-N 3.14Å; S8-N10 VanDerWaalsContact O-N 3.14Å; N10-D12 PolarHBondContact O-N 3.1Å
11Q45.4Very low66.1Low117 Ų117121.8 Ų121.855%0.54764%0.637SS.*  trans-74.1123.9176.3-57.7-178.61800106.4T9 I13T9-Q11 PolarHBondContact O-N 2.69Å; T9-Q11 WeakPolarHBondContact OG1-CG 3.43Å; T9-Q11 PolarHBondContact OG1-NE2 3.08Å; T9-Q11 VanDerWaalsContact OG1-NE2 3.1Å; Q11-I13 HydrophobicContact CB-CD1 3.75Å; Q11-I13 HydrophobicContact CB-CG1 3.63Å; Q11-I13 PolarHBondContact O-N 2.76Å
12D47.1Very low67.7Low167 Ų167109.6 Ų109.689%0.89359%0.593SS**  trans-67.755.3161.3-81.8-44.9000109.8N10 R14N10-D12 PolarHBondContact O-N 3.1Å; D12-R14 PolarHBondContact O-N 3.46Å
13I46.6Very low69.2Low59 Ų59101.7 Ų101.730%0.30355%0.551SS.*  trans-67.3122.7166.3-49.9138.7000105.4Q11 H15 D47Q11-I13 HydrophobicContact CB-CD1 3.75Å; Q11-I13 HydrophobicContact CB-CG1 3.63Å; Q11-I13 PolarHBondContact O-N 2.76Å; I13-H15 PolarHBondContact O-N 2.75Å; I13-D47 WeakPolarHBondContact CG2-OD1 3.11Å
14R57.5Low69.9Low247 Ų24799.9 Ų99.993%0.93253%0.53SS*.  trans-7275.1168.5-64.7176.1179.6161.10107.8D12D12-R14 PolarHBondContact O-N 3.46Å
15H63.4Low70.9Confident60 Ų6092.8 Ų92.828%0.27849%0.492SS..  trans-51.7143.8-178.8-61-58.6000109.6I13 Y17 V44 D47I13-H15 PolarHBondContact O-N 2.75Å; H15-Y17 PolarHBondContact O-N 3.12Å; H15-Y17 VanDerWaalsContact O-N 3.12Å; H15-V44 HydrophobicContact CB-CG1 4.16Å; H15-D47 IonicContact CE1-OD1 3.45Å; H15-D47 PolarHBondContact CE1-OD1 2.78Å; H15-D47 IonicContact CG-OD1 3.97Å; H15-D47 IonicContact ND1-OD1 2.78Å; H15-D47 PolarHBondContact ND1-OD1 3.45Å
16R80.9Confident71.9Confident173 Ų17393.6 Ų93.665%0.65348%0.481SS*.SBendtrans-66.6-14.9-178-178167.8-72.3-167.3-2.5112.7R64R16-R64 VanDerWaalsContact O-CZ 3.25Å; R16-R64 PolarHBondContact O-NE 3.04Å; R16-R64 PolarHBondContact O-NH2 3.05Å
17Y86Confident73.1Confident9 Ų988.9 Ų88.94%0.03545%0.453CS..SBendtrans-137.7139.7-178.8-62.1-74.1000109.6H15 D21 V23 V44 V50 V59 I62 R63 R64H15-Y17 PolarHBondContact O-N 3.12Å; H15-Y17 VanDerWaalsContact O-N 3.12Å; Y17-D21 WeakPolarHBondContact CA-OD2 3.5Å; Y17-V23 HydrophobicContact CD1-CG1 3.69Å; Y17-V23 HydrophobicContact CE1-CG1 3.69Å; Y17-V44 WeakPolarHBondContact O-CG2 3.39Å; Y17-V50 HydrophobicContact CD2-CG2 4.17Å; Y17-V59 HydrophobicContact CD2-CG2 4.33Å; Y17-V59 HydrophobicContact CE2-CG1 4.2Å; Y17-V59 HydrophobicContact CE2-CG2 4.39Å; Y17-I62 HydrophobicContact CD1-CG2 4.28Å; Y17-I62 HydrophobicContact CD2-CG2 4.42Å; Y17-I62 HydrophobicContact CE1-CG2 3.7Å; Y17-I62 HydrophobicContact CE2-CB 4.04Å; Y17-I62 HydrophobicContact CE2-CG2 3.86Å; Y17-I62 VanDerWaalsContact CZ-CG2 3.48Å; Y17-I62 PolarHBondContact OH-O 3.23Å; Y17-R63 WeakPolarHBondContact OH-CA 3.47Å; Y17-R63 PolarHBondContact OH-N 3.4Å; Y17-R64 HydrophobicContact CD1-CG 3.92Å; Y17-R64 HydrophobicContact CE1-CB 4.29Å; Y17-R64 HydrophobicContact CE1-CG 3.39Å; Y17-R64 PolarHBondContact OH-N 3.42Å
18N86Confident74.4Confident95 Ų9589.9 Ų89.951%0.50846%0.461SS..  trans-101.6158.5171.7-62.4-32.7000110G20 D21 V41N18-G20 PolarHBondContact O-N 2.97Å; N18-D21 PolarHBondContact N-OD2 3.39Å; N18-D21 WeakPolarHBondContact O-CB 3.44Å; N18-D21 PolarHBondContact O-N 2.96Å; N18-D21 VanDerWaalsContact O-N 3.13Å; N18-V41 WeakPolarHBondContact O-CB 3.34Å; N18-V41 VanDerWaalsContact O-CG1 3.3Å; N18-V41 WeakPolarHBondContact O-CG1 3.3Å
19V89.9Confident75.9Confident96 Ų9689.3 Ų89.358%0.58246%0.463SS*.THydrogen-bonded Turntrans-62.1129.7168.1178.70000109.4T42V19-T42 WeakPolarHBondContact CG1-O 3.37Å
20G90.3Very high77.1Confident49 Ų4987.1 Ų87.151%0.50546%0.457SS..THydrogen-bonded Turntrans88.60.5-173.100000115.8N18 D22 V41N18-G20 PolarHBondContact O-N 2.97Å; G20-D22 PolarHBondContact O-N 3.13Å; G20-V41 PolarHBondContact N-O 2.97Å
21D89.6Confident78.7Confident40 Ų4088.6 Ų88.621%0.21445%0.45CS..  trans-67.3125.8170.7-81.8-7.9000110.8Y17 N18 V23 V41Y17-D21 WeakPolarHBondContact CA-OD2 3.5Å; N18-D21 PolarHBondContact N-OD2 3.39Å; N18-D21 WeakPolarHBondContact O-CB 3.44Å; N18-D21 PolarHBondContact O-N 2.96Å; N18-D21 VanDerWaalsContact O-N 3.13Å; D21-V23 HydrophobicContact CB-CG1 4.39Å; D21-V41 HydrophobicContact CB-CB 4.48Å; D21-V41 HydrophobicContact CB-CG2 4.18Å; D21-V41 PolarHBondContact O-N 2.89Å; D21-V41 VanDerWaalsContact O-N 3.12Å
22D91.8Very high80.5Confident31 Ų3189.5 Ų89.517%0.16647%0.467CS..EExtended strand (participates in β ladder)trans-64.7128.4164.6-89.112.8000110.2G20 R65 R71G20-D22 PolarHBondContact O-N 3.13Å; D22-R65 HydrophobicContact CB-CB 3.8Å; D22-R65 HydrophobicContact CB-CG 4.37Å; D22-R65 VanDerWaalsContact O-CB 3.23Å; D22-R65 WeakPolarHBondContact O-CB 3.32Å; D22-R65 PolarHBondContact O-N 3.42Å; D22-R65 WeakPolarHBondContact OD2-CD 3.34Å; D22-R65 IonicContact OD2-CZ 2.8Å; D22-R65 IonicContact OD2-NH1 2.7Å; D22-R65 PolarHBondContact OD2-NH1 2.78Å; D22-R71 IonicContact OD1-CZ 3.83Å; D22-R71 IonicContact OD1-NH1 2.69Å; D22-R71 PolarHBondContact OD1-NH1 2.81Å; D22-R71 IonicContact OD2-NH1 2.78Å; D22-R71 PolarHBondContact OD2-NH1 3.05Å
23V92.9Very high82.3Confident0 Ų088.4 Ų88.40%046%0.462CS..EExtended strand (participates in β ladder)trans-136.3149.8-177.9-66.50000114.5Y17 D21 I25 G39 V41 V52 I62 R63Y17-V23 HydrophobicContact CD1-CG1 3.69Å; Y17-V23 HydrophobicContact CE1-CG1 3.69Å; D21-V23 HydrophobicContact CB-CG1 4.39Å; V23-I25 HydrophobicContact CG2-CG1 4.43Å; V23-G39 VanDerWaalsContact CG2-O 3.29Å; V23-G39 WeakPolarHBondContact CG2-O 3.38Å; V23-G39 PolarHBondContact N-O 2.89Å; V23-G39 PolarHBondContact O-N 2.86Å; V23-V41 HydrophobicContact CG1-CG2 3.87Å; V23-V41 HydrophobicContact CG2-CG2 4.09Å; V23-V52 HydrophobicContact CG2-CG1 3.62Å; V23-V52 HydrophobicContact CG2-CG2 4.35Å; V23-I62 HydrophobicContact CB-CG2 3.58Å; V23-I62 HydrophobicContact CG1-CG2 3.62Å; V23-I62 HydrophobicContact CG2-CG2 3.88Å; V23-R63 CarbonylContact C-O 3.55Å; V23-R63 WeakPolarHBondContact CA-O 3.43Å; V23-R63 WeakPolarHBondContact CB-O 3.42Å
24W93.7Very high84.3Confident93 Ų9388.6 Ų88.635%0.35247%0.465SS..EExtended strand (participates in β ladder)trans-94.7119.5168.2-70.1120.1000110.2Y36 E37 E38 R63 R65W24-Y36 HydrophobicContact CB-CD1 4.3Å; W24-Y36 HydrophobicContact CB-CG 4.49Å; W24-E37 CarbonylContact C-O 3.58Å; W24-E37 WeakPolarHBondContact CA-O 3.44Å; W24-E38 HydrophobicContact CE3-CB 4.28Å; W24-E38 HydrophobicContact CZ3-CB 3.83Å; W24-E38 HydrophobicContact CZ3-CG 4.49Å; W24-R63 HydrophobicContact CB-CB 4.29Å; W24-R63 PolarHBondContact N-O 3.1Å; W24-R63 PolarHBondContact O-N 3.19Å; W24-R65 HydrophobicContact CZ2-CG 4.39Å
25I92.3Very high85.8Confident0 Ų087.9 Ų87.90%046%0.463CS..EExtended strand (participates in β ladder)trans-98.5132.9-177.2-53.4170.6000110.3V23 Y36 E37 V52 R57 D61V23-I25 HydrophobicContact CG2-CG1 4.43Å; I25-Y36 CarbonylContact O-C 3.49Å; I25-Y36 WeakPolarHBondContact O-CA 3.38Å; I25-Y36 WeakPolarHBondContact O-CB 3.47Å; I25-Y36 WeakPolarHBondContact O-CD1 3.33Å; I25-E37 HydrophobicContact CB-CB 4.16Å; I25-E37 HydrophobicContact CD1-CG 4.35Å; I25-E37 PolarHBondContact N-O 3.28Å; I25-E37 PolarHBondContact O-N 3.48Å; I25-V52 HydrophobicContact CD1-CB 4.31Å; I25-V52 HydrophobicContact CD1-CG1 3.63Å; I25-V52 HydrophobicContact CG1-CG1 4.12Å; I25-R57 VanDerWaalsContact CG2-NH1 3.34Å; I25-D61 CarbonylContact C-O 3.58Å
26R91.5Very high87.2Confident127 Ų12788.8 Ų88.848%0.47946%0.464SS..PPolyproline II helixtrans-78.6127.6167.1159.1172.3-87.1-162.8-11.4110Y36 D61R26-Y36 HydrophobicContact CB-CD1 4.13Å; R26-Y36 HydrophobicContact CB-CE1 3.79Å; R26-D61 HydrophobicContact CB-CB 4.08Å; R26-D61 WeakPolarHBondContact CB-O 3.46Å; R26-D61 VanDerWaalsContact CD-OD1 3.29Å; R26-D61 WeakPolarHBondContact CD-OD1 3.43Å; R26-D61 PolarHBondContact N-O 2.79Å
27P88.8Confident87.6Confident35 Ų3585.1 Ų85.123%0.22746%0.455CS..PPolyproline II helixtrans-66.9137.9171.226.7-33.3000110.9A29 G30P27-A29 VanDerWaalsContact C-N 3.28Å; P27-A29 PolarHBondContact O-N 2.83Å; P27-G30 PolarHBondContact O-N 2.89Å
28P82.8Confident87.9Confident128 Ų12889.4 Ų89.483%0.83148%0.475SS*.THydrogen-bonded Turntrans-67.6-24-169.925.8-35.2000114.2
29A80.7Confident88.2Confident98 Ų9885.1 Ų85.181%0.8145%0.453SS*.THydrogen-bonded Turntrans-105.220.9175.800000113P27 R31P27-A29 VanDerWaalsContact C-N 3.28Å; P27-A29 PolarHBondContact O-N 2.83Å; A29-R31 PolarHBondContact O-N 2.94Å
30G73.6Confident88.4Confident36 Ų3683.2 Ų83.237%0.37144%0.442SS..  trans-61.2123.5-172.400000114.7P27 T34P27-G30 PolarHBondContact O-N 2.89Å; G30-T34 WeakPolarHBondContact CA-OG1 3.49Å
31R82.7Confident88.5Confident201 Ų20180.9 Ų80.976%0.75842%0.418SS*.  trans-73.1169.9161.8-66.4-171.3177.5-157.51109.9A29 D33 T34A29-R31 PolarHBondContact O-N 2.94Å; R31-D33 PolarHBondContact O-N 2.9Å; R31-T34 HydrophobicContact CB-CG2 4.3Å; R31-T34 PolarHBondContact N-OG1 2.76Å; R31-T34 PolarHBondContact O-N 3.38Å; R31-T34 VanDerWaalsContact O-N 3.13Å; R31-T34 PolarHBondContact O-OG1 2.83Å
32C81.7Confident88.7Confident136 Ų13681.8 Ų81.892%0.91943%0.425SS*.THydrogen-bonded Turntrans-53.4-29.9178.6-60.70000113.6
33D86.4Confident88.6Confident144 Ų14483.8 Ų83.877%0.7744%0.436SS*.THydrogen-bonded Turntrans-95.4-3.3-172.7-32.6-74.2000113.3R31R31-D33 PolarHBondContact O-N 2.9Å
34T87.8Confident88.4Confident62 Ų6285.2 Ų85.238%0.3844%0.444SS..PPolyproline II helixtrans-75.7129.8179.657.90000111.1G30 R31G30-T34 WeakPolarHBondContact CA-OG1 3.49Å; R31-T34 HydrophobicContact CB-CG2 4.3Å; R31-T34 PolarHBondContact N-OG1 2.76Å; R31-T34 PolarHBondContact O-N 3.38Å; R31-T34 VanDerWaalsContact O-N 3.13Å; R31-T34 PolarHBondContact O-OG1 2.83Å
35R89.8Confident88.1Confident232 Ų23284.8 Ų84.888%0.87545%0.448SS*.PPolyproline II helixtrans-64.1158.1173.1-63.1-178-179.4179.9-0.4111
36Y91Very high87.8Confident80 Ų8087.7 Ų87.731%0.31447%0.468SS..PPolyproline II helixtrans-78.6144.6167.6-71.4-112.5000108.7W24 I25 R26 R63W24-Y36 HydrophobicContact CB-CD1 4.3Å; W24-Y36 HydrophobicContact CB-CG 4.49Å; I25-Y36 CarbonylContact O-C 3.49Å; I25-Y36 WeakPolarHBondContact O-CA 3.38Å; I25-Y36 WeakPolarHBondContact O-CB 3.47Å; I25-Y36 WeakPolarHBondContact O-CD1 3.33Å; R26-Y36 HydrophobicContact CB-CD1 4.13Å; R26-Y36 HydrophobicContact CB-CE1 3.79Å; Y36-R63 HydrophobicContact CE1-CG 4.36Å; Y36-R63 VanDerWaalsContact CE1-NE 3.35Å; Y36-R63 PolarHBondContact OH-NE 3.24Å; Y36-R63 VanDerWaalsContact OH-NE 3.13Å; Y36-R63 PolarHBondContact OH-NH2 3.25Å
37E90.8Very high87.6Confident96 Ų9685.1 Ų85.145%0.44946%0.464SS..EExtended strand (participates in β ladder)trans-85.7150175.3172172.7-107.100109.3W24 I25 R57W24-E37 CarbonylContact C-O 3.58Å; W24-E37 WeakPolarHBondContact CA-O 3.44Å; I25-E37 HydrophobicContact CB-CB 4.16Å; I25-E37 HydrophobicContact CD1-CG 4.35Å; I25-E37 PolarHBondContact N-O 3.28Å; I25-E37 PolarHBondContact O-N 3.48Å; E37-R57 IonicContact OE2-CZ 2.83Å; E37-R57 IonicContact OE2-NH1 3.81Å; E37-R57 IonicContact OE2-NH2 3.77Å; E37-R57 PolarHBondContact OE2-NH2 2.88Å
38E92.5Very high87.6Confident98 Ų9889.8 Ų89.846%0.45848%0.483SS..EExtended strand (participates in β ladder)trans-95.2141.8176.4-177.3168.6155.600109.6W24 R65W24-E38 HydrophobicContact CE3-CB 4.28Å; W24-E38 HydrophobicContact CZ3-CB 3.83Å; W24-E38 HydrophobicContact CZ3-CG 4.49Å; E38-R65 IonicContact OE1-CZ 3.51Å; E38-R65 IonicContact OE1-NH1 2.97Å; E38-R65 PolarHBondContact OE1-NH1 2.69Å; E38-R65 IonicContact OE1-NH2 3.12Å; E38-R65 PolarHBondContact OE1-NH2 3.21Å; E38-R65 IonicContact OE2-CZ 3.55Å; E38-R65 IonicContact OE2-NH1 2.65Å; E38-R65 IonicContact OE2-NH2 3.34Å; E38-R65 PolarHBondContact OE2-NH2 2.83Å
39G92.5Very high88Confident5 Ų585.1 Ų85.15%0.05246%0.456CS..EExtended strand (participates in β ladder)trans-163.4169.2176.300000113.7V23 D53V23-G39 VanDerWaalsContact CG2-O 3.29Å; V23-G39 WeakPolarHBondContact CG2-O 3.38Å; V23-G39 PolarHBondContact N-O 2.89Å; V23-G39 PolarHBondContact O-N 2.86Å; G39-D53 WeakPolarHBondContact CA-OD2 3.4Å
40T93.5Very high88.5Confident56 Ų5680.7 Ų80.734%0.34442%0.418SS..EExtended strand (participates in β ladder)trans-116.2134.8-178.3-45.70000110.7T42 V52 D53T40-T42 PolarHBondContact O-N 3.12Å; T40-T42 VanDerWaalsContact O-N 3.15Å; T40-V52 WeakPolarHBondContact O-CA 3.36Å; T40-V52 WeakPolarHBondContact O-CG1 3.46Å; T40-D53 PolarHBondContact N-OD1 3.4Å; T40-D53 PolarHBondContact N-OD2 3.42Å; T40-D53 PolarHBondContact O-N 2.9Å
41V92.7Very high89.4Confident1 Ų181 Ų811%0.00641%0.41CS..EExtended strand (participates in β ladder)trans-68.3112.1175.7175.30000110.2N18 G20 D21 V23 V44 V50 E51 V52N18-V41 WeakPolarHBondContact O-CB 3.34Å; N18-V41 VanDerWaalsContact O-CG1 3.3Å; N18-V41 WeakPolarHBondContact O-CG1 3.3Å; G20-V41 PolarHBondContact N-O 2.97Å; D21-V41 HydrophobicContact CB-CB 4.48Å; D21-V41 HydrophobicContact CB-CG2 4.18Å; D21-V41 PolarHBondContact O-N 2.89Å; D21-V41 VanDerWaalsContact O-N 3.12Å; V23-V41 HydrophobicContact CG1-CG2 3.87Å; V23-V41 HydrophobicContact CG2-CG2 4.09Å; V41-V44 HydrophobicContact CG1-CG2 4.39Å; V41-V50 HydrophobicContact CB-CG1 4.2Å; V41-V50 HydrophobicContact CG1-CG1 3.39Å; V41-V50 HydrophobicContact CG2-CG1 3.82Å; V41-E51 CarbonylContact C-O 3.59Å; V41-E51 WeakPolarHBondContact CA-O 3.47Å; V41-V52 HydrophobicContact CG2-CG2 4.41Å
42T93.1Very high89.9Confident58 Ų5871.5 Ų71.536%0.35637%0.374SS..EExtended strand (participates in β ladder)trans-86.2-35178.949.50000112.2V19 T40 E51 G54V19-T42 WeakPolarHBondContact CG1-O 3.37Å; T40-T42 PolarHBondContact O-N 3.12Å; T40-T42 VanDerWaalsContact O-N 3.15Å; T42-E51 WeakPolarHBondContact CB-OE1 3.23Å; T42-E51 PolarHBondContact N-O 3.15Å; T42-E51 WeakPolarHBondContact OG1-CG 3.34Å; T42-E51 PolarHBondContact OG1-O 3.29Å; T42-E51 PolarHBondContact OG1-OE1 3.31Å; T42-G54 PolarHBondContact OG1-N 2.65Å
43N89.7Confident90.4Very high74 Ų7468.9 Ų68.940%0.39635%0.351SS..EExtended strand (participates in β ladder)trans-157.3155.7-176.4-1634.9000111.6E51N43-E51 HydrophobicContact CB-CB 3.74Å; N43-E51 HydrophobicContact CB-CG 4.41Å; N43-E51 WeakPolarHBondContact CB-OE2 3.21Å; N43-E51 PolarHBondContact N-O 2.91Å; N43-E51 WeakPolarHBondContact O-CB 3.43Å; N43-E51 PolarHBondContact O-N 3.02Å
44V89.3Confident90.6Very high30 Ų3064.2 Ų64.218%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-111.2109.2174.7-179.30000108.8H15 Y17 V41 V50H15-V44 HydrophobicContact CB-CG1 4.16Å; Y17-V44 WeakPolarHBondContact O-CG2 3.39Å; V41-V44 HydrophobicContact CG1-CG2 4.39Å; V44-V50 HydrophobicContact CG1-CG2 4.39Å
45L86.9Confident90.8Very high83 Ų8365.5 Ų65.544%0.43534%0.341SS..EExtended strand (participates in β ladder)trans-87.4-33.8-175.5-51.2172.9000111.7A49 E51 P56L45-A49 HydrophobicContact CB-CB 4.38Å; L45-A49 WeakPolarHBondContact CB-O 3.49Å; L45-A49 PolarHBondContact N-O 2.9Å; L45-A49 VanDerWaalsContact N-O 3.1Å; L45-E51 HydrophobicContact CD1-CB 4.28Å; L45-E51 HydrophobicContact CG-CB 4.27Å; L45-P56 HydrophobicContact CD1-CB 3.72Å; L45-P56 HydrophobicContact CD1-CG 3.91Å
46S86.5Confident90.9Very high61 Ų6158.6 Ų58.643%0.42733%0.326SS..EExtended strand (participates in β ladder)trans-171.8166.7179.2-172.60000110.5Q48 A49S46-Q48 PolarHBondContact O-N 3.47Å; S46-A49 PolarHBondContact N-O 3.24Å; S46-A49 CarbonylContact O-C 3.44Å; S46-A49 PolarHBondContact O-N 3.47Å
47D86.4Confident90.9Very high73 Ų7357 Ų5739%0.3932%0.319SS..THydrogen-bonded Turntrans-57.8-16.7174.1-65.4-30.5000115.3I13 H15 V59I13-D47 WeakPolarHBondContact CG2-OD1 3.11Å; H15-D47 IonicContact CE1-OD1 3.45Å; H15-D47 PolarHBondContact CE1-OD1 2.78Å; H15-D47 IonicContact CG-OD1 3.97Å; H15-D47 IonicContact ND1-OD1 2.78Å; H15-D47 PolarHBondContact ND1-OD1 3.45Å; D47-V59 WeakPolarHBondContact O-CG2 3.29Å
48Q89.6Confident90.9Very high133 Ų13355.5 Ų55.562%0.62131%0.312SS*.THydrogen-bonded Turntrans-106.9-15.6177.7-57.7-173.621.600112.7S46 H58 V59S46-Q48 PolarHBondContact O-N 3.47Å; Q48-H58 CarbonylContact O-C 3.58Å; Q48-H58 WeakPolarHBondContact O-CA 3.29Å; Q48-H58 PolarHBondContact O-CD2 3.25Å; Q48-V59 PolarHBondContact O-N 2.85Å
49A90.4Very high90.8Very high31 Ų3151.9 Ų51.926%0.25630%0.297SS..EExtended strand (participates in β ladder)trans-138.4121.3-171.600000111.5L45 S46 R57L45-A49 HydrophobicContact CB-CB 4.38Å; L45-A49 WeakPolarHBondContact CB-O 3.49Å; L45-A49 PolarHBondContact N-O 2.9Å; L45-A49 VanDerWaalsContact N-O 3.1Å; S46-A49 PolarHBondContact N-O 3.24Å; S46-A49 CarbonylContact O-C 3.44Å; S46-A49 PolarHBondContact O-N 3.47Å; A49-R57 WeakPolarHBondContact CA-O 3.01Å
50V91.4Very high90.7Very high4 Ų461.6 Ų61.62%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-126.5135.4-178.41730000107.8Y17 V41 V44 V52 R57 V59 I62Y17-V50 HydrophobicContact CD2-CG2 4.17Å; V41-V50 HydrophobicContact CB-CG1 4.2Å; V41-V50 HydrophobicContact CG1-CG1 3.39Å; V41-V50 HydrophobicContact CG2-CG1 3.82Å; V44-V50 HydrophobicContact CG1-CG2 4.39Å; V50-V52 HydrophobicContact CG1-CG2 4.21Å; V50-R57 PolarHBondContact N-O 2.82Å; V50-R57 PolarHBondContact O-N 3.4Å; V50-V59 HydrophobicContact CB-CG2 4.44Å; V50-V59 HydrophobicContact CG2-CG2 3.64Å; V50-I62 HydrophobicContact CB-CD1 3.74Å; V50-I62 HydrophobicContact CG1-CD1 4.19Å
51E93.6Very high90.5Very high44 Ų4461.5 Ų61.521%0.20633%0.329CS..EExtended strand (participates in β ladder)trans-82.9126.1176.8-156.9-167.3102.900108.7V41 T42 N43 L45V41-E51 CarbonylContact C-O 3.59Å; V41-E51 WeakPolarHBondContact CA-O 3.47Å; T42-E51 WeakPolarHBondContact CB-OE1 3.23Å; T42-E51 PolarHBondContact N-O 3.15Å; T42-E51 WeakPolarHBondContact OG1-CG 3.34Å; T42-E51 PolarHBondContact OG1-O 3.29Å; T42-E51 PolarHBondContact OG1-OE1 3.31Å; N43-E51 HydrophobicContact CB-CB 3.74Å; N43-E51 HydrophobicContact CB-CG 4.41Å; N43-E51 WeakPolarHBondContact CB-OE2 3.21Å; N43-E51 PolarHBondContact N-O 2.91Å; N43-E51 WeakPolarHBondContact O-CB 3.43Å; N43-E51 PolarHBondContact O-N 3.02Å; L45-E51 HydrophobicContact CD1-CB 4.28Å; L45-E51 HydrophobicContact CG-CB 4.27Å
52V92.8Very high90.3Very high0 Ų061.7 Ų61.70%033%0.33CS..EExtended strand (participates in β ladder)trans-129119.3-177.7-166.70000107.4V23 I25 T40 V41 V50 G54 I55 I62V23-V52 HydrophobicContact CG2-CG1 3.62Å; V23-V52 HydrophobicContact CG2-CG2 4.35Å; I25-V52 HydrophobicContact CD1-CB 4.31Å; I25-V52 HydrophobicContact CD1-CG1 3.63Å; I25-V52 HydrophobicContact CG1-CG1 4.12Å; T40-V52 WeakPolarHBondContact O-CA 3.36Å; T40-V52 WeakPolarHBondContact O-CG1 3.46Å; V41-V52 HydrophobicContact CG2-CG2 4.41Å; V50-V52 HydrophobicContact CG1-CG2 4.21Å; V52-G54 PolarHBondContact O-N 2.87Å; V52-I55 PolarHBondContact N-O 3.41Å; V52-I55 WeakPolarHBondContact O-CB 3.4Å; V52-I55 PolarHBondContact O-N 2.83Å; V52-I62 HydrophobicContact CG2-CD1 3.69Å; V52-I62 HydrophobicContact CG2-CG1 4.31Å
53D91.4Very high90.2Very high81 Ų8165.5 Ų65.543%0.43334%0.338SS..THydrogen-bonded Turntrans50.738.9-172.9-43.5-59000113.2G39 T40 I55G39-D53 WeakPolarHBondContact CA-OD2 3.4Å; T40-D53 PolarHBondContact N-OD1 3.4Å; T40-D53 PolarHBondContact N-OD2 3.42Å; T40-D53 PolarHBondContact O-N 2.9Å; D53-I55 VanDerWaalsContact C-N 3.3Å; D53-I55 PolarHBondContact O-N 3.18Å
54G91.6Very high90.1Very high46 Ų4668.7 Ų68.747%0.47434%0.344SS..THydrogen-bonded Turntrans81.5-2.3-177.100000115.3T42 V52T42-G54 PolarHBondContact OG1-N 2.65Å; V52-G54 PolarHBondContact O-N 2.87Å
55I91.3Very high89.9Confident89 Ų8970 Ų7046%0.45635%0.346SS..EExtended strand (participates in β ladder)trans-105.6119.2-178.3-57.3178000110.1V52 D53 R57V52-I55 PolarHBondContact N-O 3.41Å; V52-I55 WeakPolarHBondContact O-CB 3.4Å; V52-I55 PolarHBondContact O-N 2.83Å; D53-I55 VanDerWaalsContact C-N 3.3Å; D53-I55 PolarHBondContact O-N 3.18Å; I55-R57 HydrophobicContact CG2-CG 4.07Å; I55-R57 PolarHBondContact O-N 2.9Å
56P92Very high89.3Confident87 Ų8772 Ų7257%0.56536%0.362SS*.EExtended strand (participates in β ladder)trans-61.3118.5171.4-25.535.8000112.3L45L45-P56 HydrophobicContact CD1-CB 3.72Å; L45-P56 HydrophobicContact CD1-CG 3.91Å
57R91.4Very high88.4Confident47 Ų4772.7 Ų72.718%0.17737%0.365CS..EExtended strand (participates in β ladder)trans-128.5152.1177.9-60.4-167.9-167.7-136.425.6111.6I25 E37 A49 V50 I55 I62I25-R57 VanDerWaalsContact CG2-NH1 3.34Å; E37-R57 IonicContact OE2-CZ 2.83Å; E37-R57 IonicContact OE2-NH1 3.81Å; E37-R57 IonicContact OE2-NH2 3.77Å; E37-R57 PolarHBondContact OE2-NH2 2.88Å; A49-R57 WeakPolarHBondContact CA-O 3.01Å; V50-R57 PolarHBondContact N-O 2.82Å; V50-R57 PolarHBondContact O-N 3.4Å; I55-R57 HydrophobicContact CG2-CG 4.07Å; I55-R57 PolarHBondContact O-N 2.9Å; R57-I62 HydrophobicContact CB-CD1 4.23Å; R57-I62 HydrophobicContact CB-CG1 4.34Å
58H91.3Very high87Confident64 Ų6471.8 Ų71.830%0.29636%0.364SS..EExtended strand (participates in β ladder)trans-83.3140.7-175.7-175.8-98.6000111.7Q48 R60 D61Q48-H58 CarbonylContact O-C 3.58Å; Q48-H58 WeakPolarHBondContact O-CA 3.29Å; Q48-H58 PolarHBondContact O-CD2 3.25Å; H58-R60 PolarHBondContact ND1-N 3.09Å; H58-R60 PolarHBondContact O-N 3.33Å; H58-D61 PolarHBondContact O-N 2.83Å
59V88.9Confident85.4Confident22 Ų2270.2 Ų70.213%0.13337%0.366CS..THydrogen-bonded Turntrans-60.6-10.1-173.2160.50000114.9Y17 D47 Q48 V50Y17-V59 HydrophobicContact CD2-CG2 4.33Å; Y17-V59 HydrophobicContact CE2-CG1 4.2Å; Y17-V59 HydrophobicContact CE2-CG2 4.39Å; D47-V59 WeakPolarHBondContact O-CG2 3.29Å; Q48-V59 PolarHBondContact O-N 2.85Å; V50-V59 HydrophobicContact CB-CG2 4.44Å; V50-V59 HydrophobicContact CG2-CG2 3.64Å
60R90Very high83.8Confident210 Ų21074.3 Ų74.379%0.79238%0.383SS*.THydrogen-bonded Turntrans-85.9-23.8171.5-67.9178.4-172.6164.51.6114.4H58H58-R60 PolarHBondContact ND1-N 3.09Å; H58-R60 PolarHBondContact O-N 3.33Å
61D89.4Confident82.1Confident53 Ų5382.4 Ų82.428%0.28341%0.413SS..THydrogen-bonded Turntrans-91.8-11.6-179.8-59.4-62.4000111.4I25 R26 H58I25-D61 CarbonylContact C-O 3.58Å; R26-D61 HydrophobicContact CB-CB 4.08Å; R26-D61 WeakPolarHBondContact CB-O 3.46Å; R26-D61 VanDerWaalsContact CD-OD1 3.29Å; R26-D61 WeakPolarHBondContact CD-OD1 3.43Å; R26-D61 PolarHBondContact N-O 2.79Å; H58-D61 PolarHBondContact O-N 2.83Å
62I90.3Very high80.2Confident5 Ų587 Ų873%0.02644%0.435CS..EExtended strand (participates in β ladder)trans-96.7138.7174.7-52.4170.6000109.5Y17 V23 V50 V52 R57Y17-I62 HydrophobicContact CD1-CG2 4.28Å; Y17-I62 HydrophobicContact CD2-CG2 4.42Å; Y17-I62 HydrophobicContact CE1-CG2 3.7Å; Y17-I62 HydrophobicContact CE2-CB 4.04Å; Y17-I62 HydrophobicContact CE2-CG2 3.86Å; Y17-I62 VanDerWaalsContact CZ-CG2 3.48Å; Y17-I62 PolarHBondContact OH-O 3.23Å; V23-I62 HydrophobicContact CB-CG2 3.58Å; V23-I62 HydrophobicContact CG1-CG2 3.62Å; V23-I62 HydrophobicContact CG2-CG2 3.88Å; V50-I62 HydrophobicContact CB-CD1 3.74Å; V50-I62 HydrophobicContact CG1-CD1 4.19Å; V52-I62 HydrophobicContact CG2-CD1 3.69Å; V52-I62 HydrophobicContact CG2-CG1 4.31Å; R57-I62 HydrophobicContact CB-CD1 4.23Å; R57-I62 HydrophobicContact CB-CG1 4.34Å
63R90.6Very high78Confident138 Ų13895.6 Ų95.652%0.52147%0.472SS..EExtended strand (participates in β ladder)trans-126.7139167.7-60.5173.4178.4-89.2-2.7109.2Y17 V23 W24 Y36 R65Y17-R63 WeakPolarHBondContact OH-CA 3.47Å; Y17-R63 PolarHBondContact OH-N 3.4Å; V23-R63 CarbonylContact C-O 3.55Å; V23-R63 WeakPolarHBondContact CA-O 3.43Å; V23-R63 WeakPolarHBondContact CB-O 3.42Å; W24-R63 HydrophobicContact CB-CB 4.29Å; W24-R63 PolarHBondContact N-O 3.1Å; W24-R63 PolarHBondContact O-N 3.19Å; Y36-R63 HydrophobicContact CE1-CG 4.36Å; Y36-R63 VanDerWaalsContact CE1-NE 3.35Å; Y36-R63 PolarHBondContact OH-NE 3.24Å; Y36-R63 VanDerWaalsContact OH-NE 3.13Å; Y36-R63 PolarHBondContact OH-NH2 3.25Å; R63-R65 PolarHBondContact O-N 2.78Å
64R87Confident75.5Confident141 Ų14195.2 Ų95.253%0.53249%0.488SS..EExtended strand (participates in β ladder)trans-57.6135.6170.1-71.3-173.1173.9-157.8-8.5110.2R16 Y17R16-R64 VanDerWaalsContact O-CZ 3.25Å; R16-R64 PolarHBondContact O-NE 3.04Å; R16-R64 PolarHBondContact O-NH2 3.05Å; Y17-R64 HydrophobicContact CD1-CG 3.92Å; Y17-R64 HydrophobicContact CE1-CB 4.29Å; Y17-R64 HydrophobicContact CE1-CG 3.39Å; Y17-R64 PolarHBondContact OH-N 3.42Å
65R84.2Confident73.1Confident58 Ų5898.4 Ų98.422%0.21950%0.498CS..PPolyproline II helixtrans-78.2136.9163.6-162-174.9-165.7-179.213.4107.9D22 W24 E38 R63D22-R65 HydrophobicContact CB-CB 3.8Å; D22-R65 HydrophobicContact CB-CG 4.37Å; D22-R65 VanDerWaalsContact O-CB 3.23Å; D22-R65 WeakPolarHBondContact O-CB 3.32Å; D22-R65 PolarHBondContact O-N 3.42Å; D22-R65 WeakPolarHBondContact OD2-CD 3.34Å; D22-R65 IonicContact OD2-CZ 2.8Å; D22-R65 IonicContact OD2-NH1 2.7Å; D22-R65 PolarHBondContact OD2-NH1 2.78Å; W24-R65 HydrophobicContact CZ2-CG 4.39Å; E38-R65 IonicContact OE1-CZ 3.51Å; E38-R65 IonicContact OE1-NH1 2.97Å; E38-R65 PolarHBondContact OE1-NH1 2.69Å; E38-R65 IonicContact OE1-NH2 3.12Å; E38-R65 PolarHBondContact OE1-NH2 3.21Å; E38-R65 IonicContact OE2-CZ 3.55Å; E38-R65 IonicContact OE2-NH1 2.65Å; E38-R65 IonicContact OE2-NH2 3.34Å; E38-R65 PolarHBondContact OE2-NH2 2.83Å; R63-R65 PolarHBondContact O-N 2.78Å
66T75.7Confident70.3Confident124 Ų124102 Ų10276%0.76152%0.518SS*.PPolyproline II helixtrans-69.1127.4160.9-52.20000106.7S68T66-S68 PolarHBondContact O-N 3.45Å
67P67.2Low68Low76 Ų76107 Ų10749%0.49453%0.531SS..PPolyproline II helixtrans-58.3126.5176.824.3-33.4000109.1
68S57.3Low65.8Low54 Ų54111.3 Ų111.338%0.37856%0.562SS.*PPolyproline II helixtrans-64.2133.3173.9-150.10000108.1T66 D70 R71T66-S68 PolarHBondContact O-N 3.45Å; S68-D70 WeakPolarHBondContact CB-OD2 3.21Å; S68-D70 PolarHBondContact O-N 2.86Å; S68-D70 PolarHBondContact OG-OD2 3.44Å; S68-R71 PolarHBondContact O-N 2.97Å
69P56.5Low63.7Low100 Ų100116.4 Ų116.465%0.64959%0.587SS**G310 helixtrans-56.1-28.4-178.422.8-33.7000112.3R71 Q72 K73P69-R71 VanDerWaalsContact C-N 3.35Å; P69-R71 PolarHBondContact O-N 3.44Å; P69-Q72 PolarHBondContact O-N 2.92Å; P69-K73 PolarHBondContact O-N 2.92Å
70D56.1Low62.1Low117 Ų117123 Ų12363%0.62662%0.621SS**G310 helixtrans-61.6-38.2178.7-36.3-77.6000112.7S68 Q72 K73S68-D70 WeakPolarHBondContact CB-OD2 3.21Å; S68-D70 PolarHBondContact O-N 2.86Å; S68-D70 PolarHBondContact OG-OD2 3.44Å; D70-Q72 PolarHBondContact O-N 3.24Å; D70-K73 PolarHBondContact O-N 3.06Å
71R55.8Low60.8Low174 Ų174122 Ų12266%0.65763%0.625SS**G310 helixtrans-76.6-7.7-177.5-158.4174.4179.8-162.8-2.5112.7D22 S68 P69D22-R71 IonicContact OD1-CZ 3.83Å; D22-R71 IonicContact OD1-NH1 2.69Å; D22-R71 PolarHBondContact OD1-NH1 2.81Å; D22-R71 IonicContact OD2-NH1 2.78Å; D22-R71 PolarHBondContact OD2-NH1 3.05Å; S68-R71 PolarHBondContact O-N 2.97Å; P69-R71 VanDerWaalsContact C-N 3.35Å; P69-R71 PolarHBondContact O-N 3.44Å
72Q52.9Low59.7Low142 Ų142125.8 Ų125.866%0.66465%0.65SS**G310 helixtrans-111.99.5172.2-68.8-169.4-39.800113.3P69 D70 G74P69-Q72 PolarHBondContact O-N 2.92Å; D70-Q72 PolarHBondContact O-N 3.24Å; Q72-G74 PolarHBondContact O-N 2.94Å
73K46.8Very low58.8Low180 Ų180134.5 Ų134.578%0.78369%0.691SS**  trans-77.552.2-179.2-155.8178.7-177.6179.90113.1P69 D70P69-K73 PolarHBondContact O-N 2.92Å; D70-K73 PolarHBondContact O-N 3.06Å
74G39.2Very low58Low73 Ų73136 Ų13675%0.75370%0.703SS**SBendtrans-108.36.2174.100000114.2Q72Q72-G74 PolarHBondContact O-N 2.94Å
75T41.2Very low57.5Low112 Ų112134.2 Ų134.269%0.68771%0.71SS**SBendtrans-147.7114.2175.426.10000111.6K77T75-K77 PolarHBondContact O-N 2.76Å
76N33.5Very low57.2Low166 Ų166139.2 Ų139.289%0.88874%0.741SS**  trans19.786.7150.4-52.3-1000116.7
77K43.4Very low57.3Low191 Ų191140.4 Ų140.483%0.8374%0.742SS**  trans-116.5120.8149.9-74.8-163.6173.6-170.10108.5T75T75-K77 PolarHBondContact O-N 2.76Å
78T44.6Very low58.1Low137 Ų137143.5 Ų143.584%0.8475%0.752SS**  trans-57.7154.4175-36.40000110.4
79E46.4Very low59.2Low172 Ų172152.4 Ų152.480%0.80478%0.778SS**SBendtrans-66.7177.3163.4-70.2134.5176.300110.7
80D55.8Low60.4Low160 Ų160154.8 Ų154.886%0.85678%0.782SS**  trans75.350.4177.1-52.3-30.2000118.8
81E62.3Low61.6Low188 Ų188154.9 Ų154.988%0.87979%0.789SS**  trans-112.9116.9150.3-74.4-94.9141.200108.3E83E81-E83 PolarHBondContact O-N 3.47Å
82V67Low62.6Low134 Ų134153.4 Ų153.481%0.81279%0.793SS**  trans-76.6118.7179.5177.80000109.3E84V82-E84 VanDerWaalsContact C-N 3.3Å; V82-E84 PolarHBondContact O-N 3.19Å
83E71Confident63.5Low188 Ų188157.9 Ų157.988%0.87980%0.803SS**  trans-68.383.3175.5-66-169.6169.300111.3E81E81-E83 PolarHBondContact O-N 3.47Å
84E74.3Confident64.3Low168 Ų168155.9 Ų155.979%0.78580%0.802SS**  trans-60.1124.2170.1-73.2-157141.900109.9V82 L86V82-E84 VanDerWaalsContact C-N 3.3Å; V82-E84 PolarHBondContact O-N 3.19Å; E84-L86 PolarHBondContact O-N 3.36Å
85P76Confident65.2Low104 Ų104157.6 Ų157.668%0.67580%0.802SS**  trans-67122.7-17625.7-33.6000110.5L87P85-L87 VanDerWaalsContact C-N 3.33Å; P85-L87 PolarHBondContact O-N 3.13Å
86L77.7Confident66Low164 Ų164158.6 Ų158.686%0.85980%0.803SS**  trans-65.386.2178-67.8173.8000111.4E84 I88E84-L86 PolarHBondContact O-N 3.36Å; L86-I88 VanDerWaalsContact C-N 3.35Å; L86-I88 PolarHBondContact O-N 3.41Å
87L79.3Confident66.9Low149 Ų149156.7 Ų156.778%0.7880%0.797SS**  trans-7281.9-178.4-70178.7000112.1P85 R89P85-L87 VanDerWaalsContact C-N 3.33Å; P85-L87 PolarHBondContact O-N 3.13Å; L87-R89 PolarHBondContact O-N 3.28Å
88I82Confident67.2Low140 Ų140155.4 Ų155.472%0.71880%0.799SS**  trans-65.398173.3-56.6175.6000109.7L86 M90L86-I88 VanDerWaalsContact C-N 3.35Å; L86-I88 PolarHBondContact O-N 3.41Å; I88-M90 HydrophobicContact CG2-CG 4.3Å; I88-M90 HydrophobicContact CG2-SD 3.85Å; I88-M90 PolarHBondContact O-N 2.63Å
89R82Confident67.4Low242 Ų242152.5 Ų152.591%0.91379%0.789SS**  trans-69.491.1173.1-76.2-175.2174.2-112.51.6111.1L87L87-R89 PolarHBondContact O-N 3.28Å
90M81.2Confident67.4Low149 Ų149154.3 Ų154.373%0.73480%0.797SS**  trans-72.4130.9167.4-60.7-61.8-81.200109.6I88 I92I88-M90 HydrophobicContact CG2-CG 4.3Å; I88-M90 HydrophobicContact CG2-SD 3.85Å; I88-M90 PolarHBondContact O-N 2.63Å; M90-I92 PolarHBondContact O-N 2.82Å; M90-I92 VanDerWaalsContact O-N 3.11Å
91P81.5Confident67.2Low120 Ų120151.2 Ų151.278%0.77979%0.788SS**  trans-70.6109.5179.227.5-33.3000110.4R93P91-R93 PolarHBondContact O-N 2.65Å
92I76.2Confident66.9Low142 Ų142147.9 Ų147.973%0.72878%0.783SS**  trans-63.2132.3167.1-59.2176.7000107.4M90 D94M90-I92 PolarHBondContact O-N 2.82Å; M90-I92 VanDerWaalsContact O-N 3.11Å; I92-D94 PolarHBondContact O-N 2.97Å
93R71.4Confident66.6Low236 Ų236145.4 Ų145.489%0.89178%0.777SS**  trans-85.294.8168.4-73.6-176.1176.4-179.9-0.8108.1P91 S95P91-R93 PolarHBondContact O-N 2.65Å; R93-S95 PolarHBondContact O-N 2.7Å
94D64.1Low66.2Low139 Ų139142.4 Ų142.474%0.74377%0.773SS**  trans-60.2107.4172.3-62.7-38.5000109.2I92 N96I92-D94 PolarHBondContact O-N 2.97Å; D94-N96 PolarHBondContact O-N 3.21Å
95S59.2Low65.6Low108 Ų108143.2 Ų143.276%0.75578%0.777SS**  trans-7679.3178.955.60000109.3R93 V97R93-S95 PolarHBondContact O-N 2.7Å; S95-V97 PolarHBondContact O-N 2.79Å
96N56.7Low65.1Low134 Ų134146.2 Ų146.272%0.71779%0.787SS**  trans-61.7101.3179.9-174.65.7000110.8D94 N98D94-N96 PolarHBondContact O-N 3.21Å; N96-N98 VanDerWaalsContact C-N 3.26Å; N96-N98 PolarHBondContact O-N 2.75Å
97V52.8Low64.3Low126 Ų126150.1 Ų150.176%0.76479%0.79SS**SBendtrans-73.177.6172.7-83.80000110.2S95S95-V97 PolarHBondContact O-N 2.79Å
98N49.9Very low63.3Low163 Ų163154 Ų15487%0.87279%0.794SS**SBendtrans-179.451.3148.2-89.8-22.7000112.1N96N96-N98 VanDerWaalsContact C-N 3.26Å; N96-N98 PolarHBondContact O-N 2.75Å
99A49.3Very low62.5Low76 Ų76152.3 Ų152.363%0.62880%0.795SS**  trans-139.5112.4166.300000109.9S101A99-S101 PolarHBondContact O-N 2.94Å
100E45.9Very low61.6Low210 Ų210150 Ų15098%0.98179%0.792SS**  trans-76.272.1176.5-166173168.200110.5
101S51.7Low60.9Low95 Ų95153.9 Ų153.966%0.66480%0.798SS**PPolyproline II helixtrans-98.7128.8173-171.90000108.8A99 A103A99-S101 PolarHBondContact O-N 2.94Å; S101-A103 PolarHBondContact O-N 2.88Å
102P56.8Low59.9Low118 Ų118154.8 Ų154.877%0.76680%0.795SS**PPolyproline II helixtrans-60.5131.1-171.923.9-33.8000110.9
103A59Low59.2Low82 Ų82159.1 Ų159.168%0.67880%0.802SS**PPolyproline II helixtrans-48.4132.9-173.600000111.5S101 Q105S101-A103 PolarHBondContact O-N 2.88Å; A103-Q105 PolarHBondContact O-N 2.8Å
104P62.9Low58.5Low125 Ų125156 Ų15681%0.81280%0.798SS**  trans-61.7104.6-173.124.7-34.1000109.3L106P104-L106 PolarHBondContact O-N 2.83Å
105Q62.4Low58.2Low185 Ų185158.1 Ų158.186%0.86480%0.803SS**  trans-57.6110.5-174.2-67.4-172.87.600108.9A103 R107A103-Q105 PolarHBondContact O-N 2.8Å; Q105-R107 PolarHBondContact O-N 2.95Å
106L64.9Low57.7Low167 Ų167164.4 Ų164.487%0.87481%0.81SS**  trans-50.5113.5175.2-82.2167.1000107.5P104 R108P104-L106 PolarHBondContact O-N 2.83Å; L106-R108 PolarHBondContact O-N 3.23Å
107R61.1Low57Low246 Ų246161 Ų16193%0.92881%0.807SS**  trans-74.656.4-174-164.6176.4-179.6167.60.9110.6Q105 S109Q105-R107 PolarHBondContact O-N 2.95Å; R107-S109 PolarHBondContact O-N 3.06Å
108R58.3Low56.7Low230 Ų230161.7 Ų161.787%0.86881%0.811SS**  trans-62.699.8-179.4-163.9179.5-163.3-171.15.8106.9L106 K110L106-R108 PolarHBondContact O-N 3.23Å; R108-K110 PolarHBondContact O-N 3.11Å
109S64.8Low56.4Low105 Ų105158.6 Ų158.673%0.73480%0.802SS**  trans-60.5106-176.544.70000109.1R107 R111R107-S109 PolarHBondContact O-N 3.06Å; S109-R111 PolarHBondContact O-N 3.31Å
110K63.8Low56.1Low195 Ų195163.2 Ų163.285%0.84881%0.81SS**  trans-69.557.2168.4-74.8-173.4175.5179.90110R108 I112R108-K110 PolarHBondContact O-N 3.11Å; K110-I112 PolarHBondContact O-N 2.93Å
111R65.6Low56Low230 Ų230161.2 Ų161.287%0.86880%0.801SS**  trans-75.372.9167.1-165.8177.8-166.5177.46107.7S109 R113S109-R111 PolarHBondContact O-N 3.31Å; R111-R113 PolarHBondContact O-N 3.47Å
112I62.1Low55.7Low138 Ų138161 Ų16171%0.70881%0.805SS**  trans-53.6111.3165.7-64.4174.1000105.5K110 Q114K110-I112 PolarHBondContact O-N 2.93Å; I112-Q114 PolarHBondContact O-N 2.94Å
113R61.8Low55.4Low233 Ų233163.5 Ų163.588%0.87980%0.804SS**  trans-70.390.5171.4-174.1-179.1-169.3174.13105.3R111 Q115R111-R113 PolarHBondContact O-N 3.47Å; R113-Q115 PolarHBondContact O-N 2.92Å
114Q56.8Low54.6Low172 Ų172168 Ų16880%0.80481%0.809SS**  trans-49.2112.1166.4-76.6-178.1-18.200106.3I112 R116I112-Q114 PolarHBondContact O-N 2.94Å; Q114-R116 PolarHBondContact O-N 2.75Å
115Q56Low54.3Low183 Ų183167.8 Ų167.886%0.85581%0.805SS**  trans-54.9126.8157.2-72.5175.1-34.200104.5R113 G117R113-Q115 PolarHBondContact O-N 2.92Å; Q115-G117 PolarHBondContact O-N 2.96Å
116R48.6Very low54Low240 Ų240165.9 Ų165.991%0.90680%0.801SS**  trans-57.9115.8169.4-73.9-178.3175.9173.8-2.3105Q114 V118Q114-R116 PolarHBondContact O-N 2.75Å; R116-V118 PolarHBondContact O-N 2.85Å
117G42.8Very low53.4Low62 Ų62167.1 Ų167.164%0.63980%0.799SS**  trans-53.2131.6175.200000107.6Q115 S119Q115-G117 PolarHBondContact O-N 2.96Å; G117-S119 PolarHBondContact O-N 2.88Å
118V47.3Very low53.3Low141 Ų141159.4 Ų159.486%0.85579%0.788SS**  trans-75.571.9167.9-175.80000106.1R116 E120R116-V118 PolarHBondContact O-N 2.85Å; V118-E120 PolarHBondContact O-N 2.9Å
119S43.8Very low53.3Low97 Ų97154.2 Ų154.268%0.67878%0.784SS**  trans-69.5115.2159.154.70000106.4G117G117-S119 PolarHBondContact O-N 2.88Å
120E42.9Very low53Low173 Ų173160.2 Ų160.281%0.80879%0.79SS**SBendtrans-56.6174.7158.1-64.7174.710300110V118V118-E120 PolarHBondContact O-N 2.9Å
121E43.4Very low52.5Low169 Ų169156.4 Ų156.479%0.7979%0.786SS**  trans70.721.3-174.5-52-154.795.300117.7K123E121-K123 PolarHBondContact O-N 3.24Å
122A45.5Very low51.5Low91 Ų91151.5 Ų151.575%0.75279%0.786SS**  trans-68.880.2158.800000110.6F124A122-F124 PolarHBondContact O-N 2.97Å; A122-F124 VanDerWaalsContact O-N 3.09Å
123K50.1Low51.3Low170 Ų170150.2 Ų150.274%0.73978%0.784SS**  trans-51.7115.3-177-75.4175.6179.7169.70111.3E121 T125E121-K123 PolarHBondContact O-N 3.24Å; K123-T125 VanDerWaalsContact C-N 3.33Å; K123-T125 PolarHBondContact O-N 2.84Å
124F42Very low50.6Low176 Ų176142.3 Ų142.377%0.77278%0.775SS**  trans-71.580.7-169.6-167.9-99.7000112A122 N126A122-F124 PolarHBondContact O-N 2.97Å; A122-F124 VanDerWaalsContact O-N 3.09Å; F124-N126 WeakPolarHBondContact CE1-OD1 3.17Å; F124-N126 PolarHBondContact O-N 3.25Å
125T56.8Low50.9Low120 Ų120143.8 Ų143.874%0.73677%0.774SS**  trans-75.8121.2169.853.70000109.3K123 K127K123-T125 VanDerWaalsContact C-N 3.33Å; K123-T125 PolarHBondContact O-N 2.84Å; T125-K127 PolarHBondContact O-N 3.13Å
126N55.8Low50.6Low146 Ų146142.5 Ų142.578%0.78177%0.772SS**  trans-70.269.5-176.7-78.3-64000112.5F124F124-N126 WeakPolarHBondContact CE1-OD1 3.17Å; F124-N126 PolarHBondContact O-N 3.25Å
127K52.5Low50.8Low193 Ų193137.3 Ų137.384%0.83977%0.767SS**  trans-9896.2171.9-160.8159.8-167.6165.60108.7T125T125-K127 PolarHBondContact O-N 3.13Å
128A59.3Low51.5Low83 Ų83139.9 Ų139.969%0.68677%0.77SS**PPolyproline II helixtrans-50.2139.9-174.100000112.1R130A128-R130 PolarHBondContact O-N 3.49Å
129P57.8Low51.8Low121 Ų121141.1 Ų141.179%0.78677%0.767SS**PPolyproline II helixtrans-59.5135171.927.1-33.8000108.8
130R58.6Low52.6Low231 Ų231145 Ų14587%0.87277%0.771SS**PPolyproline II helixtrans-60.5130.9173.5-68.1-175.1176.6-157.8-1.3108.1A128 C132A128-R130 PolarHBondContact O-N 3.49Å; R130-C132 PolarHBondContact O-N 2.92Å
131P52.8Low53Low115 Ų115144.5 Ų144.575%0.74777%0.769SS**PPolyproline II helixtrans-61.8131.8175.826-33.4000109.1V133P131-V133 PolarHBondContact O-N 3.04Å
132C44.8Very low53.7Low128 Ų128141.7 Ų141.787%0.86576%0.763SS**PPolyproline II helixtrans-68.7116166.2-63.80000107R130 G134R130-C132 PolarHBondContact O-N 2.92Å; C132-G134 PolarHBondContact O-N 3.35Å
133V58.2Low54.5Low110 Ų110139.7 Ų139.767%0.66775%0.751SS**  trans-74.184.6175.1-176.70000108.3P131 Y135P131-V133 PolarHBondContact O-N 3.04Å; V133-Y135 HydrophobicContact CG1-CD2 4.35Å; V133-Y135 HydrophobicContact CG1-CE2 3.85Å
134G46.8Very low54.7Low67 Ų67137.5 Ų137.569%0.69175%0.754SS**  trans-79.3118168.700000109.6C132C132-G134 PolarHBondContact O-N 3.35Å
135Y62.8Low55.2Low204 Ų204134.3 Ų134.380%0.875%0.749SS**  trans-77.7122.9169.9-73.2-89.8000109.2V133 V137V133-Y135 HydrophobicContact CG1-CD2 4.35Å; V133-Y135 HydrophobicContact CG1-CE2 3.85Å; Y135-V137 PolarHBondContact O-N 2.88Å
136L50.7Low54.8Low155 Ų155134.7 Ų134.781%0.81275%0.751SS**  trans-86.8103.6177.3-149.7151000107.6V138L136-V138 HydrophobicContact CD2-CG2 4.28Å; L136-V138 PolarHBondContact O-N 2.98Å
137V52.9Low54Low132 Ų132137 Ų13780%0.875%0.754SS**  trans-71.3109.3174.5179.30000107.6Y135 E139Y135-V137 PolarHBondContact O-N 2.88Å; V137-E139 PolarHBondContact O-N 2.94Å
138V56.6Low53.8Low116 Ų116136.1 Ų136.170%0.70375%0.753SS**  trans-82.5112.8172.4178.80000107.9L136 K140L136-V138 HydrophobicContact CD2-CG2 4.28Å; L136-V138 PolarHBondContact O-N 2.98Å; V138-K140 PolarHBondContact O-N 2.84Å
139E54.9Low53Low167 Ų167139 Ų13978%0.7876%0.757SS**  trans-66.694.1174.8-173.8173.9-151.200109.7V137 Q141V137-E139 PolarHBondContact O-N 2.94Å; E139-Q141 PolarHBondContact O-N 3.31Å
140K59.5Low52.7Low178 Ų178141.3 Ų141.377%0.77476%0.761SS**  trans-76.296.7176.7-173-178.3179.4-173.70109V138 V142V138-K140 PolarHBondContact O-N 2.84Å; K140-V142 PolarHBondContact O-N 2.84Å
141Q51.5Low52.1Low163 Ų163137.2 Ų137.276%0.76276%0.756SS**  trans-50.9106.1166.4-76.3-74.5-3.900110.2E139E139-Q141 PolarHBondContact O-N 3.31Å
142V57.4Low52.1Low110 Ų110142.9 Ų142.967%0.66776%0.764SS**  trans-95.8100.5170.2-179.60000107.1K140K140-V142 PolarHBondContact O-N 2.84Å
143G62.3Low52.2Low48 Ų48140.2 Ų140.250%0.49576%0.758SS.*  trans-62.3162.1172.600000112.1V145G143-V145 PolarHBondContact O-N 2.91Å
144P54.1Low52Low125 Ų125139.9 Ų139.981%0.81277%0.766SS**  trans-62123.2-175.125.9-34.5000111.2V146P144-V146 PolarHBondContact O-N 2.69Å
145V54Low52Low109 Ų109144 Ų14466%0.66178%0.778SS**  trans-79.898.5172.4-172.60000107.8G143 F147G143-V145 PolarHBondContact O-N 2.91Å; V145-F147 HydrophobicContact CG1-CD2 4.2Å; V145-F147 HydrophobicContact CG1-CE2 4.1Å; V145-F147 PolarHBondContact O-N 2.93Å
146V47.7Very low51.1Low128 Ų128138.3 Ų138.378%0.77677%0.773SS**  trans-68.1122.4168.2-71.30000109P144P144-V146 PolarHBondContact O-N 2.69Å
147F38.3Very low50.7Low194 Ų194138.9 Ų138.985%0.85178%0.776SS**  trans-92.9102.3176.3-95.8-97000109.4V145V145-F147 HydrophobicContact CG1-CD2 4.2Å; V145-F147 HydrophobicContact CG1-CE2 4.1Å; V145-F147 PolarHBondContact O-N 2.93Å
148E48.4Very low50.5Low175 Ų175138.5 Ų138.582%0.81877%0.774SS**  trans-127.4145.5161.2-70.3-170.6140.500109.7
149D43.7Very low50.1Low142 Ų142137 Ų13776%0.75977%0.774SS**  trans48.286.5158.4-63.7-2.6000120.7
150I51.3Low49.9Very low171 Ų171137.1 Ų137.188%0.87778%0.779SS**  trans-131.695.7134.3-55.1-178000109.9
151L45.4Very low49.7Very low144 Ų144132.7 Ų132.775%0.75478%0.776SS**  trans-70.5137.4154-85.771.1000108.9
152Y53.6Low49.7Very low235 Ų235132.9 Ų132.992%0.92278%0.782SS**  trans177.4135.4135.4-107.3-72.2000111.9
153G47Very low49.5Very low72 Ų72130.2 Ų130.274%0.74278%0.777SS**  trans74.795.5167.300000115.7
154A52.3Low49.2Very low102 Ų102135.6 Ų135.684%0.84380%0.795SS**  cis78.792.84400000116
155V47.8Very low48.9Very low154 Ų154137.9 Ų137.993%0.93380%0.799SS**  trans-145145.6146.3179.90000107
156A43.7Very low48.7Very low85 Ų85144.4 Ų144.470%0.70281%0.812SS**  trans-141140.9-173.500000114.7
157L43.4Very low49.4Very low166 Ų166146.2 Ų146.287%0.86981%0.812SS**  trans-172.6115.3163.1-111.4136.3000106.4
158V47.7Very low50.2Low124 Ų124142.3 Ų142.375%0.75281%0.806SS**  cis92.993.741.2179.40000114
159A48.8Very low50.8Low86 Ų86144.2 Ų144.271%0.71183%0.829SS**  trans-164.2123.8145.400000106.1
160L50.4Low51.2Low168 Ų168144.3 Ų144.388%0.8883%0.832SS**  55.312070.8-63.7171.7000112.3
161A54.6Low51.2Low86 Ų86142.9 Ų142.971%0.71183%0.83SS**  cis-155.4173.3-6.900000107.7
162D52Low51.5Low166 Ų166142.8 Ų142.889%0.88883%0.834SS**  cis-149.4-1656.1-135-34.1000106.9
163G53.9Low51.4Low55 Ų55137.4 Ų137.457%0.56783%0.829SS**  cis169.71741.200000111.7
164N54.2Low51.6Low161 Ų161141.5 Ų141.586%0.86183%0.834SS**  trans31.9101.6169.8-75.2-26.2000120
165L49.3Very low51.6Low173 Ų173144.1 Ų144.191%0.90683%0.834SS**  -176.4141.5101.5-96.4162.5000110.8
166R49.4Very low51.9Low245 Ų245143.4 Ų143.493%0.92583%0.827SS**  trans-145.4119.1174.4-167.1175.6-177177.81.6110.7
167E63.3Low52.5Low167 Ų167147.9 Ų147.978%0.7884%0.836SS**  trans-94.7169176.6-90.5-85.3127.100109.9
168P54.2Low53.2Low111 Ų111146.4 Ų146.472%0.72183%0.834SS**  -94-171.2-126.6-12.431.7000117.7
169V61.3Low53.7Low215 Ų215148.5 Ų148.5100%1.30384%0.841SS**  trans-82.40165.4-179.80000110

Retrieved 169 of 169 residues in 68 ms (Link to these results)