A0A077Z374_TRITR Loading...

Cytochrome c oxidase, subunit VB

AlphaFold DB , UniProt , Accession A0A077Z374, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 93 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
1M53.5Low78.3Confident239 Ų239122.1 Ų122.1100%1.17763%0.629SS**  0111.40-168.4168.1-173.500106.8
2F64.6Low79.2Confident178 Ų178124.8 Ų124.878%0.78163%0.632SS**  trans-67.1139.4176.8-61.5-78.9000108.9V7F2-V7 HydrophobicContact CB-CG2 4.14Å
3R70.3Confident80.2Confident182 Ų182124.3 Ų124.369%0.68762%0.623SS**  trans-68.9141.1174.3-67.6178.2169.8177.9-2.7108E5 D6 V7R3-E5 PolarHBondContact O-N 2.81Å; R3-D6 WeakPolarHBondContact CB-OD2 3.36Å; R3-D6 PolarHBondContact N-OD2 3.11Å; R3-D6 WeakPolarHBondContact O-CB 3.34Å; R3-D6 PolarHBondContact O-N 3.3Å; R3-V7 PolarHBondContact O-N 3.49Å
4T73.8Confident80.8Confident116 Ų116123.2 Ų123.271%0.71261%0.613SS**Hα-helixtrans-55.5-36.5-180-37.50000111.5D6 V7 T8T4-D6 PolarHBondContact O-N 3Å; T4-V7 PolarHBondContact O-N 3.04Å; T4-T8 WeakPolarHBondContact O-CG2 3.42Å; T4-T8 PolarHBondContact O-N 3.41Å
5E73.9Confident81.3Confident140 Ų140119.5 Ų119.565%0.65459%0.593SS**Hα-helixtrans-57-45.5175.5-65.9177.9153.500111.9R3 V7 T8 V9R3-E5 PolarHBondContact O-N 2.81Å; E5-V7 VanDerWaalsContact C-N 3.31Å; E5-V7 PolarHBondContact O-N 2.86Å; E5-T8 PolarHBondContact O-N 3.06Å; E5-T8 PolarHBondContact O-OG1 2.85Å; E5-V9 WeakPolarHBondContact O-CG2 3.45Å; E5-V9 PolarHBondContact O-N 2.9Å; E5-V9 VanDerWaalsContact O-N 3.09Å
6D84.7Confident81.9Confident94 Ų94118.4 Ų118.450%0.50359%0.589SS.*Hα-helixtrans-60.4-42.3179.7-60.2-34.8000111.4R3 T4 V9 A10R3-D6 WeakPolarHBondContact CB-OD2 3.36Å; R3-D6 PolarHBondContact N-OD2 3.11Å; R3-D6 WeakPolarHBondContact O-CB 3.34Å; R3-D6 PolarHBondContact O-N 3.3Å; T4-D6 PolarHBondContact O-N 3Å; D6-V9 PolarHBondContact O-N 3.46Å; D6-A10 WeakPolarHBondContact O-CB 3.12Å; D6-A10 PolarHBondContact O-N 2.85Å
7V84Confident82.4Confident70 Ų70119.3 Ų119.342%0.42459%0.585SS.*Hα-helixtrans-67.4-43-180-178.50000110.9F2 R3 T4 E5 V9 A10 M11F2-V7 HydrophobicContact CB-CG2 4.14Å; R3-V7 PolarHBondContact O-N 3.49Å; T4-V7 PolarHBondContact O-N 3.04Å; E5-V7 VanDerWaalsContact C-N 3.31Å; E5-V7 PolarHBondContact O-N 2.86Å; V7-V9 VanDerWaalsContact C-N 3.33Å; V7-V9 PolarHBondContact O-N 2.92Å; V7-A10 PolarHBondContact O-N 3.45Å; V7-M11 HydrophobicContact CG1-CG 4.47Å; V7-M11 HydrophobicContact CG1-SD 4.27Å; V7-M11 WeakPolarHBondContact O-CG 3.49Å; V7-M11 PolarHBondContact O-N 3.03Å
8T87.9Confident82.8Confident65 Ų65113.8 Ų113.840%0.39956%0.559SS.*Hα-helixtrans-63.6-39.5179.560.70000112.4T4 E5 K12T4-T8 WeakPolarHBondContact O-CG2 3.42Å; T4-T8 PolarHBondContact O-N 3.41Å; E5-T8 PolarHBondContact O-N 3.06Å; E5-T8 PolarHBondContact O-OG1 2.85Å; T8-K12 WeakPolarHBondContact O-CB 3.35Å; T8-K12 WeakPolarHBondContact O-CG 3.42Å; T8-K12 PolarHBondContact O-N 2.85Å
9V89.7Confident83Confident95 Ų95115.2 Ų115.258%0.57656%0.557SS**Hα-helixtrans-66.8-43.7176.8173.70000110.4E5 D6 V7 M11 K12 K13E5-V9 WeakPolarHBondContact O-CG2 3.45Å; E5-V9 PolarHBondContact O-N 2.9Å; E5-V9 VanDerWaalsContact O-N 3.09Å; D6-V9 PolarHBondContact O-N 3.46Å; V7-V9 VanDerWaalsContact C-N 3.33Å; V7-V9 PolarHBondContact O-N 2.92Å; V9-M11 PolarHBondContact O-N 2.93Å; V9-K12 PolarHBondContact O-N 3.27Å; V9-K13 WeakPolarHBondContact O-CB 3.44Å; V9-K13 PolarHBondContact O-N 3.16Å
10A89.5Confident83.4Confident59 Ų59115.5 Ų115.549%0.48856%0.56SS.*Hα-helixtrans-59.6-45.1176.800000112.3D6 V7 K13 K14D6-A10 WeakPolarHBondContact O-CB 3.12Å; D6-A10 PolarHBondContact O-N 2.85Å; V7-A10 PolarHBondContact O-N 3.45Å; A10-K13 PolarHBondContact O-N 2.88Å; A10-K14 PolarHBondContact O-N 2.77Å
11M89.1Confident83.7Confident105 Ų105117.1 Ų117.152%0.51757%0.569SS.*Hα-helixtrans-64.1-46.5177.4-71.7-178.371.600112.4V7 V9 K13 K14 H15V7-M11 HydrophobicContact CG1-CG 4.47Å; V7-M11 HydrophobicContact CG1-SD 4.27Å; V7-M11 WeakPolarHBondContact O-CG 3.49Å; V7-M11 PolarHBondContact O-N 3.03Å; V9-M11 PolarHBondContact O-N 2.93Å; M11-K13 VanDerWaalsContact C-N 3.28Å; M11-K13 PolarHBondContact O-N 2.91Å; M11-K14 PolarHBondContact O-N 2.83Å; M11-H15 PolarHBondContact O-CD2 2.9Å; M11-H15 PolarHBondContact O-N 3.07Å
12K90.1Very high85.2Confident154 Ų154108.7 Ų108.767%0.6754%0.543SS*.Hα-helixtrans-59.5-41.2176.9-75.4176.8-179.4178.90111.6T8 V9 H15 L16T8-K12 WeakPolarHBondContact O-CB 3.35Å; T8-K12 WeakPolarHBondContact O-CG 3.42Å; T8-K12 PolarHBondContact O-N 2.85Å; V9-K12 PolarHBondContact O-N 3.27Å; K12-H15 PolarHBondContact O-N 3.37Å; K12-L16 WeakPolarHBondContact O-CB 3.32Å; K12-L16 PolarHBondContact O-N 3.13Å
13K91.3Very high86.1Confident119 Ų119102.1 Ų102.152%0.51752%0.516SS..Hα-helixtrans-63-43.9176.8-177.3170177.8175.20111.3V9 A10 M11 L16 Y17V9-K13 WeakPolarHBondContact O-CB 3.44Å; V9-K13 PolarHBondContact O-N 3.16Å; A10-K13 PolarHBondContact O-N 2.88Å; M11-K13 VanDerWaalsContact C-N 3.28Å; M11-K13 PolarHBondContact O-N 2.91Å; K13-L16 PolarHBondContact O-N 3.09Å; K13-Y17 HydrophobicContact CD-CE2 4.09Å; K13-Y17 VanDerWaalsContact CE-CE2 3.44Å; K13-Y17 WeakPolarHBondContact CE-OH 3.34Å; K13-Y17 HydrophobicContact CG-CD2 3.92Å; K13-Y17 HydrophobicContact CG-CE2 3.49Å; K13-Y17 VanDerWaalsContact CG-CE2 3.49Å; K13-Y17 WeakPolarHBondContact O-CD2 3.37Å; K13-Y17 PolarHBondContact O-N 3.28Å
14K88.6Confident86.6Confident109 Ų10995.5 Ų95.547%0.47449%0.494SS..Hα-helixtrans-58.8-53.1174.6179.9-178.8174.1-178.90111.8A10 M11 L16 Y17 D18 Y26A10-K14 PolarHBondContact O-N 2.77Å; M11-K14 PolarHBondContact O-N 2.83Å; K14-L16 PolarHBondContact O-N 3.47Å; K14-Y17 WeakPolarHBondContact O-CB 3.21Å; K14-Y17 PolarHBondContact O-N 3.41Å; K14-D18 PolarHBondContact O-N 2.8Å; K14-Y26 PolarHBondContact NZ-OH 2.97Å
15H89.3Confident86.8Confident67 Ų6792.8 Ų92.831%0.3147%0.471SS..Hα-helixtrans-61.1-34.4-179.2-64.9-176000112.2M11 K12 R19 Y26M11-H15 PolarHBondContact O-CD2 2.9Å; M11-H15 PolarHBondContact O-N 3.07Å; K12-H15 PolarHBondContact O-N 3.37Å; H15-R19 VanDerWaalsContact O-CB 3.31Å; H15-R19 WeakPolarHBondContact O-CB 3.45Å; H15-R19 PolarHBondContact O-N 2.92Å; H15-Y26 AromaticContact CD2-CD2 3.68Å; H15-Y26 AromaticContact CD2-CE2 3.95Å; H15-Y26 AromaticContact CD2-CG 3.76Å; H15-Y26 AromaticContact CE1-CD1 3.87Å; H15-Y26 AromaticContact CE1-CG 3.9Å; H15-Y26 AromaticContact NE2-CD1 3.56Å; H15-Y26 AromaticContact NE2-CE1 3.78Å; H15-Y26 AromaticContact NE2-CG 3.68Å
16L89.7Confident87.2Confident103 Ų10390.7 Ų90.754%0.53946%0.458SS..Hα-helixtrans-64.1-44.2173.8179.562.4000111.7K12 K13 K14 I20K12-L16 WeakPolarHBondContact O-CB 3.32Å; K12-L16 PolarHBondContact O-N 3.13Å; K13-L16 PolarHBondContact O-N 3.09Å; K14-L16 PolarHBondContact O-N 3.47Å; L16-I20 HydrophobicContact CD1-CD1 4.12Å; L16-I20 HydrophobicContact CD1-CG1 4.45Å; L16-I20 HydrophobicContact CG-CD1 3.97Å; L16-I20 WeakPolarHBondContact O-CD1 3.3Å; L16-I20 VanDerWaalsContact O-CG1 3.23Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 3.21Å
17Y91.5Very high87Confident133 Ų13389.1 Ų89.152%0.52245%0.448SS..Hα-helixtrans-62.9-47.3175.3-77.9-64.1000112.1K13 K14 R19 I20 M21K13-Y17 HydrophobicContact CD-CE2 4.09Å; K13-Y17 VanDerWaalsContact CE-CE2 3.44Å; K13-Y17 WeakPolarHBondContact CE-OH 3.34Å; K13-Y17 HydrophobicContact CG-CD2 3.92Å; K13-Y17 HydrophobicContact CG-CE2 3.49Å; K13-Y17 VanDerWaalsContact CG-CE2 3.49Å; K13-Y17 WeakPolarHBondContact O-CD2 3.37Å; K13-Y17 PolarHBondContact O-N 3.28Å; K14-Y17 WeakPolarHBondContact O-CB 3.21Å; K14-Y17 PolarHBondContact O-N 3.41Å; Y17-R19 VanDerWaalsContact C-N 3.29Å; Y17-R19 PolarHBondContact O-N 3.27Å; Y17-I20 PolarHBondContact O-N 2.82Å; Y17-I20 VanDerWaalsContact O-N 3.09Å; Y17-M21 WeakPolarHBondContact O-CG 3.4Å; Y17-M21 PolarHBondContact O-N 2.8Å
18D88.4Confident86.7Confident21 Ų2191.8 Ų91.811%0.11247%0.469CS..Hα-helixtrans-56.6-46.7179.1-65.1-20.8000110.1K14 I20 M21 G22 D23 Y26K14-D18 PolarHBondContact O-N 2.8Å; D18-I20 PolarHBondContact O-N 2.92Å; D18-M21 CarbonylContact O-C 3.46Å; D18-M21 WeakPolarHBondContact O-CA 3.45Å; D18-M21 PolarHBondContact O-N 3.02Å; D18-M21 VanDerWaalsContact O-N 3.08Å; D18-G22 PolarHBondContact O-N 2.8Å; D18-G22 VanDerWaalsContact O-N 3.12Å; D18-D23 CarbonylContact C-O 3.59Å; D18-D23 VanDerWaalsContact C-O 3.26Å; D18-D23 HydrophobicContact CB-CB 4.03Å; D18-D23 WeakPolarHBondContact O-CA 3.5Å; D18-D23 WeakPolarHBondContact O-CB 3.35Å; D18-D23 PolarHBondContact O-N 2.96Å; D18-Y26 VanDerWaalsContact OD2-CE2 3.22Å; D18-Y26 WeakPolarHBondContact OD2-CE2 3.42Å
19R87.5Confident86.2Confident139 Ų13994.9 Ų94.953%0.52547%0.474SS..Hα-helixtrans-60.2-41.9175.8-176.7-178.3-178.5142.9-6.3113.2H15 Y17 M21 G22 D23 E27H15-R19 VanDerWaalsContact O-CB 3.31Å; H15-R19 WeakPolarHBondContact O-CB 3.45Å; H15-R19 PolarHBondContact O-N 2.92Å; Y17-R19 VanDerWaalsContact C-N 3.29Å; Y17-R19 PolarHBondContact O-N 3.27Å; R19-M21 VanDerWaalsContact C-N 3.25Å; R19-M21 PolarHBondContact O-N 2.99Å; R19-G22 PolarHBondContact O-N 3.39Å; R19-G22 VanDerWaalsContact O-N 3.11Å; R19-D23 PolarHBondContact N-O 3.38Å; R19-E27 WeakPolarHBondContact CD-OE1 3.2Å; R19-E27 IonicContact CZ-OE1 2.63Å; R19-E27 IonicContact NE-OE1 2.92Å; R19-E27 IonicContact NH1-OE1 2.8Å; R19-E27 PolarHBondContact NH1-OE1 2.83Å; R19-E27 IonicContact NH1-OE2 3.94Å; R19-E27 PolarHBondContact NH1-OE2 3.01Å
20I90.6Very high85.6Confident121 Ų12197.4 Ų97.462%0.62148%0.482SS*.Hα-helixtrans-64.1-35.3177-71.1164.9000110.6L16 Y17 D18 G22L16-I20 HydrophobicContact CD1-CD1 4.12Å; L16-I20 HydrophobicContact CD1-CG1 4.45Å; L16-I20 HydrophobicContact CG-CD1 3.97Å; L16-I20 WeakPolarHBondContact O-CD1 3.3Å; L16-I20 VanDerWaalsContact O-CG1 3.23Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 3.21Å; Y17-I20 PolarHBondContact O-N 2.82Å; Y17-I20 VanDerWaalsContact O-N 3.09Å; D18-I20 PolarHBondContact O-N 2.92Å; I20-G22 PolarHBondContact O-N 3.18Å
21M90.1Very high85.2Confident151 Ų15199.9 Ų99.974%0.74448%0.48SS*.THydrogen-bonded Turntrans-78.5-0.6175.5-62.7-62-124.400113.4Y17 D18 R19Y17-M21 WeakPolarHBondContact O-CG 3.4Å; Y17-M21 PolarHBondContact O-N 2.8Å; D18-M21 CarbonylContact O-C 3.46Å; D18-M21 WeakPolarHBondContact O-CA 3.45Å; D18-M21 PolarHBondContact O-N 3.02Å; D18-M21 VanDerWaalsContact O-N 3.08Å; R19-M21 VanDerWaalsContact C-N 3.25Å; R19-M21 PolarHBondContact O-N 2.99Å
22G84.7Confident84.6Confident62 Ų62101.8 Ų101.864%0.63950%0.497SS*.THydrogen-bonded Turntrans83.39.2-179.500000114.7D18 R19 I20D18-G22 PolarHBondContact O-N 2.8Å; D18-G22 VanDerWaalsContact O-N 3.12Å; R19-G22 PolarHBondContact O-N 3.39Å; R19-G22 VanDerWaalsContact O-N 3.11Å; I20-G22 PolarHBondContact O-N 3.18Å
23D83.9Confident83.9Confident39 Ų3997.7 Ų97.721%0.20948%0.48CS..  trans-86113.1172.6178.2-3.5000110D18 R19 R25D18-D23 CarbonylContact C-O 3.59Å; D18-D23 VanDerWaalsContact C-O 3.26Å; D18-D23 HydrophobicContact CB-CB 4.03Å; D18-D23 WeakPolarHBondContact O-CA 3.5Å; D18-D23 WeakPolarHBondContact O-CB 3.35Å; D18-D23 PolarHBondContact O-N 2.96Å; R19-D23 PolarHBondContact N-O 3.38Å; D23-R25 WeakPolarHBondContact OD1-CB 3.32Å; D23-R25 WeakPolarHBondContact OD1-CD 3.21Å; D23-R25 WeakPolarHBondContact OD1-CG 3.5Å; D23-R25 IonicContact OD1-CZ 3.49Å; D23-R25 PolarHBondContact OD1-N 2.7Å; D23-R25 VanDerWaalsContact OD1-N 3.09Å; D23-R25 IonicContact OD1-NE 3.81Å; D23-R25 PolarHBondContact OD1-NE 3.49Å; D23-R25 IonicContact OD2-CZ 2.87Å; D23-R25 IonicContact OD2-NE 2.79Å; D23-R25 PolarHBondContact OD2-NE 3.39Å; D23-R25 IonicContact OD2-NH2 3.59Å; D23-R25 PolarHBondContact OD2-NH2 2.92Å
24D80.7Confident83.3Confident43 Ų4394 Ų9423%0.2347%0.472CS..  trans-108.619.3-175.372.9-2.5000114Y26 E27 R29 Y31D24-Y26 PolarHBondContact O-N 2.94Å; D24-E27 HydrophobicContact CB-CB 4.24Å; D24-E27 HydrophobicContact CB-CG 4.08Å; D24-E27 WeakPolarHBondContact O-CB 3.25Å; D24-E27 PolarHBondContact O-N 2.73Å; D24-R29 VanDerWaalsContact OD2-CD 3.28Å; D24-R29 WeakPolarHBondContact OD2-CD 3.33Å; D24-R29 IonicContact OD2-CZ 2.97Å; D24-R29 IonicContact OD2-NE 2.73Å; D24-R29 IonicContact OD2-NH1 3.06Å; D24-R29 PolarHBondContact OD2-NH1 3.3Å; D24-Y31 PolarHBondContact O-OH 3.23Å; D24-Y31 WeakPolarHBondContact OD1-CE1 3.3Å
25R78.4Confident83.4Confident60 Ų6093 Ų9323%0.22648%0.477CS..THydrogen-bonded Turntrans-57-23.3-177.2-71.7178.1-62.3173-1.8115D23 V45 D88D23-R25 WeakPolarHBondContact OD1-CB 3.32Å; D23-R25 WeakPolarHBondContact OD1-CD 3.21Å; D23-R25 WeakPolarHBondContact OD1-CG 3.5Å; D23-R25 IonicContact OD1-CZ 3.49Å; D23-R25 PolarHBondContact OD1-N 2.7Å; D23-R25 VanDerWaalsContact OD1-N 3.09Å; D23-R25 IonicContact OD1-NE 3.81Å; D23-R25 PolarHBondContact OD1-NE 3.49Å; D23-R25 IonicContact OD2-CZ 2.87Å; D23-R25 IonicContact OD2-NE 2.79Å; D23-R25 PolarHBondContact OD2-NE 3.39Å; D23-R25 IonicContact OD2-NH2 3.59Å; D23-R25 PolarHBondContact OD2-NH2 2.92Å; R25-V45 HydrophobicContact CG-CG2 3.69Å; R25-D88 PolarHBondContact NH1-O 3.38Å
26Y81.3Confident83.4Confident96 Ų9690 Ų9038%0.37646%0.463SS..THydrogen-bonded Turntrans-101.30.6179.7-52.7-76.6000113.7K14 H15 D18 D24K14-Y26 PolarHBondContact NZ-OH 2.97Å; H15-Y26 AromaticContact CD2-CD2 3.68Å; H15-Y26 AromaticContact CD2-CE2 3.95Å; H15-Y26 AromaticContact CD2-CG 3.76Å; H15-Y26 AromaticContact CE1-CD1 3.87Å; H15-Y26 AromaticContact CE1-CG 3.9Å; H15-Y26 AromaticContact NE2-CD1 3.56Å; H15-Y26 AromaticContact NE2-CE1 3.78Å; H15-Y26 AromaticContact NE2-CG 3.68Å; D18-Y26 VanDerWaalsContact OD2-CE2 3.22Å; D18-Y26 WeakPolarHBondContact OD2-CE2 3.42Å; D24-Y26 PolarHBondContact O-N 2.94Å
27E80.8Confident83.6Confident61 Ų6187.8 Ų87.829%0.28545%0.454SS..SBendtrans-88.9143.6179.7-63.5-72.816900110.8R19 D24 R29R19-E27 WeakPolarHBondContact CD-OE1 3.2Å; R19-E27 IonicContact CZ-OE1 2.63Å; R19-E27 IonicContact NE-OE1 2.92Å; R19-E27 IonicContact NH1-OE1 2.8Å; R19-E27 PolarHBondContact NH1-OE1 2.83Å; R19-E27 IonicContact NH1-OE2 3.94Å; R19-E27 PolarHBondContact NH1-OE2 3.01Å; D24-E27 HydrophobicContact CB-CB 4.24Å; D24-E27 HydrophobicContact CB-CG 4.08Å; D24-E27 WeakPolarHBondContact O-CB 3.25Å; D24-E27 PolarHBondContact O-N 2.73Å; E27-R29 HydrophobicContact CB-CG 4Å; E27-R29 PolarHBondContact O-N 3.22Å
28S78.6Confident83.7Confident125 Ų12585 Ų8587%0.87445%0.451SS*.  trans-77.987.4172.957.80000109.8
29R76.7Confident83.9Confident131 Ų13191.8 Ų91.849%0.49448%0.482SS..  trans-125.1149.4-178.8-68.4179.6176.3-166.6-2.3112.5D24 E27D24-R29 VanDerWaalsContact OD2-CD 3.28Å; D24-R29 WeakPolarHBondContact OD2-CD 3.33Å; D24-R29 IonicContact OD2-CZ 2.97Å; D24-R29 IonicContact OD2-NE 2.73Å; D24-R29 IonicContact OD2-NH1 3.06Å; D24-R29 PolarHBondContact OD2-NH1 3.3Å; E27-R29 HydrophobicContact CB-CG 4Å; E27-R29 PolarHBondContact O-N 3.22Å
30I77.3Confident84.2Confident148 Ų14887.6 Ų87.676%0.75948%0.475SS*.  trans-84.9114.3163.1-60.1175000106.1L56I30-L56 HydrophobicContact CD1-CD1 4.38Å
31Y81Confident84.4Confident111 Ų11182.5 Ų82.544%0.43545%0.449SS..PPolyproline II helixtrans-76.5135.1177.7-65.3-82000110.4D24D24-Y31 PolarHBondContact O-OH 3.23Å; D24-Y31 WeakPolarHBondContact OD1-CE1 3.3Å
32V75.5Confident84.6Confident144 Ų14475.8 Ų75.887%0.87342%0.416SS*.PPolyproline II helixtrans-70.1131.3170.8-178.60000108
33Q76Confident84.9Confident68 Ų6877 Ų7732%0.31841%0.411SS..PPolyproline II helixtrans-67.5134.6-179.1-67162.65.600109.4N42 L56 Y81Q33-N42 VanDerWaalsContact CA-OD1 3.25Å; Q33-N42 WeakPolarHBondContact CA-OD1 3.09Å; Q33-L56 PolarHBondContact NE2-O 3.46Å; Q33-L56 VanDerWaalsContact NE2-O 3.16Å; Q33-Y81 VanDerWaalsContact OE1-CD2 3.25Å
34A79.6Confident85.2Confident41 Ų4176.5 Ų76.534%0.33941%0.408SS..  trans-62.1-179.9161.900000109.2G36 N42A34-G36 PolarHBondContact O-N 2.87Å; A34-N42 PolarHBondContact N-OD1 2.8Å
35P89.1Confident85.6Confident89 Ų8976.5 Ų76.558%0.57841%0.41SS*.  trans-50.4-29.1175-26.735.9000112.8T37 Y81P35-T37 HydrophobicContact CB-CG2 4.2Å; P35-T37 PolarHBondContact O-N 2.52Å; P35-Y81 WeakPolarHBondContact O-CE1 3.31Å
36G90.6Very high86.2Confident3 Ų374.1 Ų74.13%0.03140%0.402CS..  trans66.526.2171.800000112.1A34 S40 Y81 W82A34-G36 PolarHBondContact O-N 2.87Å; G36-S40 CarbonylContact C-O 3.59Å; G36-S40 VanDerWaalsContact CA-O 3.3Å; G36-S40 WeakPolarHBondContact CA-O 3.17Å; G36-S40 PolarHBondContact N-O 3.41Å; G36-Y81 CarbonylContact O-C 3.59Å; G36-Y81 WeakPolarHBondContact O-CA 3.43Å; G36-W82 PolarHBondContact O-N 3.46Å
37T94.3Very high86.6Confident57 Ų5773.4 Ų73.435%0.3541%0.411SS..  trans-83.7171.4173.8750000110.1P35 E39 S40 P41 W82P35-T37 HydrophobicContact CB-CG2 4.2Å; P35-T37 PolarHBondContact O-N 2.52Å; T37-E39 VanDerWaalsContact CB-OE2 3.32Å; T37-E39 WeakPolarHBondContact CB-OE2 3.28Å; T37-E39 PolarHBondContact O-N 3.49Å; T37-E39 PolarHBondContact OG1-N 3.02Å; T37-E39 PolarHBondContact OG1-OE2 3.09Å; T37-S40 PolarHBondContact N-O 3.25Å; T37-S40 VanDerWaalsContact N-O 3.13Å; T37-S40 CarbonylContact O-C 3.57Å; T37-S40 PolarHBondContact O-N 2.79Å; T37-S40 PolarHBondContact OG1-N 2.95Å; T37-S40 VanDerWaalsContact OG1-N 3.07Å; T37-P41 WeakPolarHBondContact O-CA 3.3Å; T37-P41 VanDerWaalsContact O-N 3.09Å; T37-W82 WeakPolarHBondContact O-CB 3.47Å
38T92.4Very high87.1Confident75 Ų7574.7 Ų74.746%0.4642%0.423SS..SBendtrans-60.9-36.9176.1-46.40000111.6W82T38-W82 HydrophobicContact CG2-CD2 4.49Å; T38-W82 HydrophobicContact CG2-CZ2 4.45Å; T38-W82 PolarHBondContact OG1-NE1 3.49Å; T38-W82 VanDerWaalsContact OG1-NE1 3.11Å
39E93.9Very high87.9Confident163 Ų16372.7 Ų72.776%0.76241%0.409SS*.SBendtrans-80-26.6178.5-47.680.7-171.300112.8T37T37-E39 VanDerWaalsContact CB-OE2 3.32Å; T37-E39 WeakPolarHBondContact CB-OE2 3.28Å; T37-E39 PolarHBondContact O-N 3.49Å; T37-E39 PolarHBondContact OG1-N 3.02Å; T37-E39 PolarHBondContact OG1-OE2 3.09Å
40S92.9Very high88.8Confident52 Ų5271.2 Ų71.236%0.36441%0.408SS..SBendtrans-131.470.2-179.8-163.50000110.7G36 T37G36-S40 CarbonylContact C-O 3.59Å; G36-S40 VanDerWaalsContact CA-O 3.3Å; G36-S40 WeakPolarHBondContact CA-O 3.17Å; G36-S40 PolarHBondContact N-O 3.41Å; T37-S40 PolarHBondContact N-O 3.25Å; T37-S40 VanDerWaalsContact N-O 3.13Å; T37-S40 CarbonylContact O-C 3.57Å; T37-S40 PolarHBondContact O-N 2.79Å; T37-S40 PolarHBondContact OG1-N 2.95Å; T37-S40 VanDerWaalsContact OG1-N 3.07Å
41P94.5Very high89.6Confident13 Ų1368.6 Ų68.68%0.08439%0.388CS..  trans-71.7161.5-17831.3-36.6000111.5T37 V43 W82 Q84T37-P41 WeakPolarHBondContact O-CA 3.3Å; T37-P41 VanDerWaalsContact O-N 3.09Å; P41-V43 PolarHBondContact O-N 3.49Å; P41-W82 HydrophobicContact CB-CB 3.89Å; P41-Q84 HydrophobicContact CB-CB 4.16Å; P41-Q84 HydrophobicContact CG-CB 3.85Å
42N93.5Very high90.3Very high11 Ų1169 Ų696%0.05940%0.397CS..EExtended strand (participates in β ladder)trans-68110167.4-66.6-73.2000109.7Q33 A34 W82 F83 Q84Q33-N42 VanDerWaalsContact CA-OD1 3.25Å; Q33-N42 WeakPolarHBondContact CA-OD1 3.09Å; A34-N42 PolarHBondContact N-OD1 2.8Å; N42-W82 WeakPolarHBondContact CB-O 3.26Å; N42-W82 PolarHBondContact N-O 2.93Å; N42-W82 PolarHBondContact ND2-O 2.63Å; N42-F83 HydrophobicContact CB-CD1 3.49Å; N42-F83 VanDerWaalsContact CB-CD1 3.49Å; N42-F83 HydrophobicContact CB-CE1 3.71Å; N42-F83 HydrophobicContact CB-CG 4.07Å; N42-F83 HydrophobicContact CB-CZ 4.45Å; N42-F83 CarbonylContact O-C 3.57Å; N42-F83 VanDerWaalsContact O-CA 3.28Å; N42-F83 WeakPolarHBondContact O-CA 3.41Å; N42-Q84 PolarHBondContact O-N 3.48Å
43V91.6Very high91.2Very high87 Ų8763 Ų6353%0.52736%0.36SS..EExtended strand (participates in β ladder)trans-80.7123.2-179.2-1800000109.8P41 V86P41-V43 PolarHBondContact O-N 3.49Å; V43-V86 HydrophobicContact CG1-CB 4.31Å; V43-V86 HydrophobicContact CG1-CG1 3.85Å; V43-V86 HydrophobicContact CG1-CG2 3.46Å; V43-V86 VanDerWaalsContact CG1-CG2 3.46Å
44I90.7Very high92Very high29 Ų2961.6 Ų61.615%0.14936%0.364CS..EExtended strand (participates in β ladder)trans-117.6127.7177.6-51.9-62.7000107.8V53 L69 F83 Q84 L85 V86I44-V53 HydrophobicContact CG1-CG2 4.19Å; I44-V53 HydrophobicContact CG2-CG2 3.98Å; I44-L69 HydrophobicContact CB-CD1 4.07Å; I44-L69 HydrophobicContact CG1-CD1 3.82Å; I44-F83 HydrophobicContact CD1-CD1 4.43Å; I44-F83 HydrophobicContact CG1-CD1 4.26Å; I44-Q84 PolarHBondContact N-O 3Å; I44-L85 HydrophobicContact CB-CD1 4.09Å; I44-L85 HydrophobicContact CG2-CD1 3.93Å; I44-L85 CarbonylContact O-C 3.26Å; I44-L85 WeakPolarHBondContact O-CA 3.47Å; I44-L85 WeakPolarHBondContact O-CD1 3.23Å; I44-V86 PolarHBondContact O-N 3.04Å
45V89.2Confident92.7Very high43 Ų4359.8 Ų59.826%0.26135%0.349SS..EExtended strand (participates in β ladder)trans-88.4146.2178.3-66.40000111.4R25 R51 V86 D88R25-V45 HydrophobicContact CG-CG2 3.69Å; V45-R51 PolarHBondContact O-NH1 3.29Å; V45-V86 CarbonylContact C-O 3.56Å; V45-V86 WeakPolarHBondContact CA-O 3.35Å; V45-V86 HydrophobicContact CB-CG2 4.46Å; V45-V86 HydrophobicContact CG1-CG2 3.76Å; V45-D88 HydrophobicContact CB-CB 4.33Å
46S90.4Very high92.9Very high10 Ų1058.6 Ų58.67%0.0734%0.337CS..EExtended strand (participates in β ladder)trans-159.6137.6171.9-171.50000112.9V48 K71 V86 D88S46-V48 PolarHBondContact O-N 3.25Å; S46-V48 VanDerWaalsContact OG-CG2 3.26Å; S46-V48 WeakPolarHBondContact OG-CG2 3.45Å; S46-V48 PolarHBondContact OG-N 2.85Å; S46-V48 PolarHBondContact OG-O 2.78Å; S46-K71 WeakPolarHBondContact O-CE 3.41Å; S46-K71 PolarHBondContact O-NZ 3.12Å; S46-V86 PolarHBondContact N-O 2.99Å; S46-D88 PolarHBondContact O-N 2.92Å
47S89.2Confident92.9Very high81 Ų8159.8 Ų59.857%0.56635%0.345SS*.SBendtrans-74-10.5172.8-11.70000113.5D88S47-D88 VanDerWaalsContact CA-CG 3.49Å; S47-D88 WeakPolarHBondContact CA-OD1 3.49Å; S47-D88 VanDerWaalsContact CB-CG 3.46Å; S47-D88 VanDerWaalsContact CB-OD1 3.31Å; S47-D88 WeakPolarHBondContact CB-OD1 3.48Å; S47-D88 WeakPolarHBondContact CB-OD2 3.08Å; S47-D88 PolarHBondContact OG-OD2 3.05Å
48V92.2Very high92.7Very high87 Ų8759.6 Ų59.653%0.52735%0.346SS..SBendtrans-117.2165.1-179.1-67.40000111S46 Q50 K71S46-V48 PolarHBondContact O-N 3.25Å; S46-V48 VanDerWaalsContact OG-CG2 3.26Å; S46-V48 WeakPolarHBondContact OG-CG2 3.45Å; S46-V48 PolarHBondContact OG-N 2.85Å; S46-V48 PolarHBondContact OG-O 2.78Å; V48-Q50 WeakPolarHBondContact CG2-O 3.04Å; V48-Q50 PolarHBondContact O-N 3.03Å; V48-K71 WeakPolarHBondContact O-CE 3.28Å; V48-K71 PolarHBondContact O-NZ 3.27Å
49S94.9Very high92.3Very high83 Ų8362.4 Ų62.458%0.5837%0.365SS*.SBendtrans-67.3-20.9-175.355.20000114.3K71S49-K71 PolarHBondContact O-N 3.44Å
50Q96.7Very high92.1Very high101 Ų10161.9 Ų61.947%0.47237%0.368SS..EExtended strand (participates in β ladder)trans-140141.5-176.6-58.5-171.6-24.300112V48 V68 L69 E70V48-Q50 WeakPolarHBondContact CG2-O 3.04Å; V48-Q50 PolarHBondContact O-N 3.03Å; Q50-V68 HydrophobicContact CB-CG1 4.02Å; Q50-V68 HydrophobicContact CG-CG1 4.47Å; Q50-L69 WeakPolarHBondContact CA-O 3.43Å; Q50-E70 HydrophobicContact CG-CG 4.03Å
51R94.2Very high91.9Very high92 Ų9261.4 Ų61.435%0.34736%0.36SS..EExtended strand (participates in β ladder)trans-137.8137.8176.8-171.3172.3178.4165.43.4111V45 L69 L85V45-R51 PolarHBondContact O-NH1 3.29Å; R51-L69 PolarHBondContact N-O 3.39Å; R51-L69 VanDerWaalsContact N-O 3.09Å; R51-L69 PolarHBondContact O-N 3.09Å; R51-L85 HydrophobicContact CB-CD1 3.72Å; R51-L85 HydrophobicContact CB-CD2 4.19Å
52I95.3Very high91.7Very high120 Ų12065.9 Ų65.962%0.61540%0.398SS*.EExtended strand (participates in β ladder)trans-78.4129.6170.1-60.6172.8000108.5Y66 M67 V68I52-Y66 HydrophobicContact CG2-CD1 3.91Å; I52-M67 WeakPolarHBondContact CA-O 3.33Å; I52-V68 HydrophobicContact CG1-CG2 4.38Å
53V93.3Very high91.6Very high17 Ų1771 Ų7110%0.10342%0.421CS..EExtended strand (participates in β ladder)trans-124.3136.8174.6173.20000109.1I44 Y66 M67 L69 F83I44-V53 HydrophobicContact CG1-CG2 4.19Å; I44-V53 HydrophobicContact CG2-CG2 3.98Å; V53-Y66 CarbonylContact O-C 3.59Å; V53-Y66 VanDerWaalsContact O-CA 3.32Å; V53-Y66 WeakPolarHBondContact O-CA 3.22Å; V53-M67 HydrophobicContact CB-CE 4.42Å; V53-M67 HydrophobicContact CG1-CE 4.16Å; V53-M67 PolarHBondContact N-O 2.96Å; V53-M67 PolarHBondContact O-N 3.02Å; V53-L69 HydrophobicContact CB-CD1 4.24Å; V53-L69 HydrophobicContact CB-CG 4.38Å; V53-L69 HydrophobicContact CG2-CD1 3.56Å; V53-L69 HydrophobicContact CG2-CG 3.99Å; V53-F83 HydrophobicContact CG1-CD1 4.28Å; V53-F83 HydrophobicContact CG1-CE1 4.25Å
54G94Very high91.7Very high39 Ų3968.1 Ų68.140%0.40241%0.406SS..EExtended strand (participates in β ladder)trans-104.3120.8169.700000110.3
55C94.2Very high91.9Very high3 Ų370.2 Ų70.22%0.0242%0.415CS..EExtended strand (participates in β ladder)trans-99125.7173179.10000109.7A64 K65 C77 F83C55-A64 WeakPolarHBondContact O-CA 3.43Å; C55-K65 PolarHBondContact N-O 3.39Å; C55-K65 PolarHBondContact O-N 3.38Å; C55-C77 HydrophobicContact CB-CB 4.28Å; C55-C77 VanDerWaalsContact CB-SG 3.59Å; C55-F83 HydrophobicContact CB-CZ 4.01Å
56L92.7Very high92.2Very high64 Ų6476.5 Ų76.534%0.33544%0.435SS..  trans-86.9107.4163.7-64.5170.6000106.9I30 Q33 S58 A64I30-L56 HydrophobicContact CD1-CD1 4.38Å; Q33-L56 PolarHBondContact NE2-O 3.46Å; Q33-L56 VanDerWaalsContact NE2-O 3.16Å; L56-S58 VanDerWaalsContact C-N 3.28Å; L56-S58 PolarHBondContact O-N 2.97Å; L56-A64 HydrophobicContact CD2-CB 4.05Å
57C91.8Very high92.5Very high29 Ų2977 Ų7720%0.19644%0.436CS..SBendtrans-75-23.1-172.8-61.70000112.5E61 K65 C77 C79C57-E61 WeakPolarHBondContact CA-OE2 3.31Å; C57-E61 WeakPolarHBondContact CB-OE2 3.17Å; C57-E61 PolarHBondContact N-OE2 3.2Å; C57-K65 VanDerWaalsContact SG-CD 3.58Å; C57-C77 VanDerWaalsContact SG-SG 3.7Å; C57-C79 HydrophobicContact CB-CB 3.6Å; C57-C79 VanDerWaalsContact SG-CB 3.54Å; C57-C79 VanDerWaalsContact SG-SG 3.67Å
58S88.6Confident92.9Very high53 Ų5376 Ų7637%0.37143%0.426SS..SBendtrans-137.2147.1174.2171.90000109.7L56 N60 E61L56-S58 VanDerWaalsContact C-N 3.28Å; L56-S58 PolarHBondContact O-N 2.97Å; S58-N60 PolarHBondContact O-N 3.03Å; S58-N60 PolarHBondContact OG-N 2.93Å; S58-E61 PolarHBondContact N-OE2 3.38Å; S58-E61 WeakPolarHBondContact O-CB 3.2Å; S58-E61 PolarHBondContact O-N 3.25Å
59P85.3Confident93.2Very high133 Ų13371.8 Ų71.886%0.86440%0.401SS*.THydrogen-bonded Turntrans-55-23.8173.9-25.634.4000114.2
60N88.7Confident93.3Very high153 Ų15371 Ų7182%0.81839%0.389SS*.THydrogen-bonded Turntrans-98.82.5-178-63.2-19.6000113.2S58S58-N60 PolarHBondContact O-N 3.03Å; S58-N60 PolarHBondContact OG-N 2.93Å
61E89Confident93.2Very high42 Ų4269.1 Ų69.120%0.19638%0.379CS..  trans-81.1125.1-179.5-159.4170-15800110.2C57 S58 H63 K65C57-E61 WeakPolarHBondContact CA-OE2 3.31Å; C57-E61 WeakPolarHBondContact CB-OE2 3.17Å; C57-E61 PolarHBondContact N-OE2 3.2Å; S58-E61 PolarHBondContact N-OE2 3.38Å; S58-E61 WeakPolarHBondContact O-CB 3.2Å; S58-E61 PolarHBondContact O-N 3.25Å; E61-H63 VanDerWaalsContact C-N 3.27Å; E61-H63 PolarHBondContact O-N 3Å; E61-H63 IonicContact OE1-CD2 3.84Å; E61-H63 IonicContact OE1-CE1 3.83Å; E61-H63 IonicContact OE1-NE2 3.3Å; E61-H63 PolarHBondContact OE1-NE2 3.36Å; E61-K65 WeakPolarHBondContact OE1-CE 3.44Å; E61-K65 IonicContact OE1-NZ 3.69Å
62A90.4Very high93.1Very high106 Ų10668.3 Ų68.388%0.87640%0.399SS*.SBendtrans-80.2-8-178.800000113.7
63H91.9Very high93.1Very high119 Ų11968.5 Ų68.555%0.55140%0.395SS*.SBendtrans-129.2131.9-175.555.2-86.2000111E61E61-H63 VanDerWaalsContact C-N 3.27Å; E61-H63 PolarHBondContact O-N 3Å; E61-H63 IonicContact OE1-CD2 3.84Å; E61-H63 IonicContact OE1-CE1 3.83Å; E61-H63 IonicContact OE1-NE2 3.3Å; E61-H63 PolarHBondContact OE1-NE2 3.36Å
64A93.1Very high93.2Very high26 Ų2670.7 Ų70.722%0.21541%0.407CS..  trans-80.9139.7172.500000110.6C55 L56 Y66C55-A64 WeakPolarHBondContact O-CA 3.43Å; L56-A64 HydrophobicContact CD2-CB 4.05Å; A64-Y66 HydrophobicContact CB-CE1 4.48Å; A64-Y66 HydrophobicContact CB-CE2 4.01Å; A64-Y66 WeakPolarHBondContact O-CD2 3.42Å; A64-Y66 WeakPolarHBondContact O-CE2 3.49Å
65K94.6Very high93.3Very high74 Ų7472.9 Ų72.932%0.32241%0.405SS..EExtended strand (participates in β ladder)trans-86.3112.6168.8-62.6-175.7-166.3161.60108.5C55 C57 E61 A78C55-K65 PolarHBondContact N-O 3.39Å; C55-K65 PolarHBondContact O-N 3.38Å; C57-K65 VanDerWaalsContact SG-CD 3.58Å; E61-K65 WeakPolarHBondContact OE1-CE 3.44Å; E61-K65 IonicContact OE1-NZ 3.69Å; K65-A78 HydrophobicContact CD-CB 3.94Å
66Y96.3Very high93.5Very high174 Ų17477.5 Ų77.568%0.68243%0.426SS*.EExtended strand (participates in β ladder)trans-87.1140.7-178.3-67.1-82.2000111.8I52 V53 A64I52-Y66 HydrophobicContact CG2-CD1 3.91Å; V53-Y66 CarbonylContact O-C 3.59Å; V53-Y66 VanDerWaalsContact O-CA 3.32Å; V53-Y66 WeakPolarHBondContact O-CA 3.22Å; A64-Y66 HydrophobicContact CB-CE1 4.48Å; A64-Y66 HydrophobicContact CB-CE2 4.01Å; A64-Y66 WeakPolarHBondContact O-CD2 3.42Å; A64-Y66 WeakPolarHBondContact O-CE2 3.49Å
67M96.8Very high93.6Very high20 Ų2074.9 Ų74.910%0.09941%0.413CS..EExtended strand (participates in β ladder)trans-146.9147.9174.258.3-174.6176.800110.6I52 V53 L69 K75 C77 F83I52-M67 WeakPolarHBondContact CA-O 3.33Å; V53-M67 HydrophobicContact CB-CE 4.42Å; V53-M67 HydrophobicContact CG1-CE 4.16Å; V53-M67 PolarHBondContact N-O 2.96Å; V53-M67 PolarHBondContact O-N 3.02Å; M67-L69 HydrophobicContact CE-CD2 3.97Å; M67-L69 HydrophobicContact CG-CD2 4.21Å; M67-L69 HydrophobicContact SD-CD2 4.12Å; M67-K75 HydrophobicContact CB-CD 4.25Å; M67-K75 HydrophobicContact SD-CD 4.28Å; M67-K75 HydrophobicContact SD-CG 4.37Å; M67-C77 HydrophobicContact CE-CB 4.42Å; M67-C77 HydrophobicContact SD-CB 4.35Å; M67-F83 HydrophobicContact CE-CB 3.95Å; M67-F83 HydrophobicContact CE-CD1 3.78Å; M67-F83 HydrophobicContact CE-CD2 3.14Å; M67-F83 HydrophobicContact CE-CE1 4.04Å; M67-F83 HydrophobicContact CE-CE2 3.47Å; M67-F83 VanDerWaalsContact CE-CE2 3.47Å; M67-F83 HydrophobicContact CE-CG 3.34Å; M67-F83 HydrophobicContact CE-CZ 3.91Å; M67-F83 HydrophobicContact SD-CD2 4.38Å
68V97.6Very high93.7Very high60 Ų6077.7 Ų77.736%0.36444%0.439SS..EExtended strand (participates in β ladder)trans-86.2122.3168.3-175.90000108.4Q50 I52 K75Q50-V68 HydrophobicContact CB-CG1 4.02Å; Q50-V68 HydrophobicContact CG-CG1 4.47Å; I52-V68 HydrophobicContact CG1-CG2 4.38Å; V68-K75 WeakPolarHBondContact O-CD 3.37Å; V68-K75 PolarHBondContact O-NZ 3.17Å
69L96.8Very high93.9Very high0 Ų077.6 Ų77.60%044%0.437CS..EExtended strand (participates in β ladder)trans-92.2146.7167.8-55.6-175.6000109.6I44 Q50 R51 V53 M67 K75 F83 L85I44-L69 HydrophobicContact CB-CD1 4.07Å; I44-L69 HydrophobicContact CG1-CD1 3.82Å; Q50-L69 WeakPolarHBondContact CA-O 3.43Å; R51-L69 PolarHBondContact N-O 3.39Å; R51-L69 VanDerWaalsContact N-O 3.09Å; R51-L69 PolarHBondContact O-N 3.09Å; V53-L69 HydrophobicContact CB-CD1 4.24Å; V53-L69 HydrophobicContact CB-CG 4.38Å; V53-L69 HydrophobicContact CG2-CD1 3.56Å; V53-L69 HydrophobicContact CG2-CG 3.99Å; M67-L69 HydrophobicContact CE-CD2 3.97Å; M67-L69 HydrophobicContact CG-CD2 4.21Å; M67-L69 HydrophobicContact SD-CD2 4.12Å; L69-K75 HydrophobicContact CD2-CB 3.68Å; L69-K75 HydrophobicContact CD2-CD 4.05Å; L69-K75 HydrophobicContact CD2-CG 4.39Å; L69-F83 HydrophobicContact CD1-CB 3.83Å; L69-F83 HydrophobicContact CD2-CB 3.86Å; L69-L85 HydrophobicContact CB-CB 3.93Å; L69-L85 HydrophobicContact CB-CD1 4.31Å; L69-L85 HydrophobicContact CB-CD2 4.26Å; L69-L85 HydrophobicContact CB-CG 4.42Å; L69-L85 HydrophobicContact CD1-CD1 4.47Å
70E97.4Very high94.4Very high67 Ų6772.7 Ų72.731%0.31341%0.411SS..EExtended strand (participates in β ladder)trans-122.3138.5176.9-64.2176.2-154.800109Q50 G72 K73Q50-E70 HydrophobicContact CG-CG 4.03Å; E70-G72 PolarHBondContact O-N 3.46Å; E70-K73 HydrophobicContact CB-CD 4.47Å; E70-K73 PolarHBondContact O-N 3.11Å; E70-K73 IonicContact OE2-NZ 3.84Å; E70-K73 PolarHBondContact OE2-NZ 2.84Å
71K94.6Very high94.7Very high61 Ų6169.3 Ų69.327%0.26539%0.387SS..BIsolated β-bridgetrans-56.3135.4174.6-73.8-175.5174172.40110.1S46 V48 S49 K73 L85 D87S46-K71 WeakPolarHBondContact O-CE 3.41Å; S46-K71 PolarHBondContact O-NZ 3.12Å; V48-K71 WeakPolarHBondContact O-CE 3.28Å; V48-K71 PolarHBondContact O-NZ 3.27Å; S49-K71 PolarHBondContact O-N 3.44Å; K71-K73 VanDerWaalsContact C-N 3.32Å; K71-K73 PolarHBondContact O-N 3.35Å; K71-L85 HydrophobicContact CG-CD2 3.94Å; K71-L85 HydrophobicContact CG-CG 4.12Å; K71-D87 IonicContact NZ-OD1 3.66Å; K71-D87 PolarHBondContact NZ-OD1 3.38Å; K71-D87 IonicContact NZ-OD2 2.77Å; K71-D87 PolarHBondContact NZ-OD2 3.08Å
72G93.4Very high95Very high75 Ų7570.2 Ų70.277%0.77339%0.389SS*.THydrogen-bonded Turntrans81.8-1.5179.400000115.9E70E70-G72 PolarHBondContact O-N 3.46Å
73K95.2Very high95.3Very high123 Ų12365.6 Ų65.654%0.53535%0.349SS..BIsolated β-bridgetrans-124.5121.3175.7-64.4178.6-170.5161.30110.8E70 K71E70-K73 HydrophobicContact CB-CD 4.47Å; E70-K73 PolarHBondContact O-N 3.11Å; E70-K73 IonicContact OE2-NZ 3.84Å; E70-K73 PolarHBondContact OE2-NZ 2.84Å; K71-K73 VanDerWaalsContact C-N 3.32Å; K71-K73 PolarHBondContact O-N 3.35Å
74N95.1Very high95.4Very high64 Ų6463 Ų6334%0.34234%0.337SS..  trans-74.3140.9169-69.22.2000109.4W82 F83 Q84N74-W82 HydrophobicContact CB-CE3 3.97Å; N74-W82 HydrophobicContact CB-CZ3 4.27Å; N74-F83 CarbonylContact C-O 3.14Å; N74-F83 VanDerWaalsContact CA-O 3.3Å; N74-F83 WeakPolarHBondContact CA-O 3.42Å; N74-Q84 VanDerWaalsContact OD1-CB 3.3Å; N74-Q84 WeakPolarHBondContact OD1-CB 3.44Å; N74-Q84 WeakPolarHBondContact OD1-CG 3.1Å
75K96.9Very high95.5Very high85 Ų8562 Ų6237%0.3733%0.328SS..EExtended strand (participates in β ladder)trans-130.1139.4-179.3-164.7172.9-169.2170.30110.4M67 V68 L69 W82 F83M67-K75 HydrophobicContact CB-CD 4.25Å; M67-K75 HydrophobicContact SD-CD 4.28Å; M67-K75 HydrophobicContact SD-CG 4.37Å; V68-K75 WeakPolarHBondContact O-CD 3.37Å; V68-K75 PolarHBondContact O-NZ 3.17Å; L69-K75 HydrophobicContact CD2-CB 3.68Å; L69-K75 HydrophobicContact CD2-CD 4.05Å; L69-K75 HydrophobicContact CD2-CG 4.39Å; K75-W82 CarbonylContact O-C 3.57Å; K75-W82 WeakPolarHBondContact O-CA 3.47Å; K75-F83 PolarHBondContact N-O 3.5Å; K75-F83 PolarHBondContact O-N 3.43Å
76Q96.5Very high95.4Very high99 Ų9960.5 Ų60.546%0.46333%0.325SS..EExtended strand (participates in β ladder)trans-99.3137.5178.2-157.2-177.330.300110.6G80 Y81 W82Q76-G80 WeakPolarHBondContact CG-O 3.33Å; Q76-G80 VanDerWaalsContact NE2-CA 3.34Å; Q76-G80 PolarHBondContact NE2-O 3.09Å; Q76-Y81 CarbonylContact C-O 3.57Å; Q76-Y81 WeakPolarHBondContact CA-O 3.5Å; Q76-W82 HydrophobicContact CB-CD2 4.04Å; Q76-W82 HydrophobicContact CB-CE3 4.11Å; Q76-W82 HydrophobicContact CB-CH2 4.28Å; Q76-W82 HydrophobicContact CB-CZ2 4.18Å; Q76-W82 HydrophobicContact CB-CZ3 4.24Å; Q76-W82 HydrophobicContact CG-CD2 4.07Å; Q76-W82 HydrophobicContact CG-CG 4.31Å; Q76-W82 HydrophobicContact CG-CZ2 4.23Å
77C96.5Very high95.2Very high10 Ų1056.3 Ų56.37%0.06831%0.314CS..  trans-80.4162.1166.6-1720000110.5C55 C57 M67 C79 G80 Y81 F83C55-C77 HydrophobicContact CB-CB 4.28Å; C55-C77 VanDerWaalsContact CB-SG 3.59Å; C57-C77 VanDerWaalsContact SG-SG 3.7Å; M67-C77 HydrophobicContact CE-CB 4.42Å; M67-C77 HydrophobicContact SD-CB 4.35Å; C77-C79 PolarHBondContact O-N 3.35Å; C77-G80 PolarHBondContact O-N 3Å; C77-Y81 PolarHBondContact N-O 3.42Å; C77-F83 HydrophobicContact CB-CD2 4.47Å; C77-F83 HydrophobicContact CB-CE2 3.79Å
78A92.5Very high94.5Very high88 Ų8857 Ų5773%0.72732%0.318SS*.THydrogen-bonded Turntrans-59.9-16.8177.700000114.5K65 G80K65-A78 HydrophobicContact CD-CB 3.94Å; A78-G80 VanDerWaalsContact C-N 3.33Å
79C93.8Very high93.2Very high51 Ų5160.3 Ų60.335%0.34533%0.334SS..THydrogen-bonded Turntrans-82.4-7.4172.658.60000114.6C57 C77 Y81C57-C79 HydrophobicContact CB-CB 3.6Å; C57-C79 VanDerWaalsContact SG-CB 3.54Å; C57-C79 VanDerWaalsContact SG-SG 3.67Å; C77-C79 PolarHBondContact O-N 3.35Å; C79-Y81 WeakPolarHBondContact SG-CD2 3.48Å
80G94.7Very high90.8Very high29 Ų2963.8 Ų63.830%0.29936%0.357SS..SBendtrans99-12.3-178.200000114.8Q76 C77 A78Q76-G80 WeakPolarHBondContact CG-O 3.33Å; Q76-G80 VanDerWaalsContact NE2-CA 3.34Å; Q76-G80 PolarHBondContact NE2-O 3.09Å; C77-G80 PolarHBondContact O-N 3Å; A78-G80 VanDerWaalsContact C-N 3.33Å
81Y94.7Very high87.9Confident83 Ų8369.2 Ų69.233%0.32538%0.382SS..  trans-69.6137.8176.8-70.2-50.9000112.6Q33 P35 G36 Q76 C77 C79 F83Q33-Y81 VanDerWaalsContact OE1-CD2 3.25Å; P35-Y81 WeakPolarHBondContact O-CE1 3.31Å; G36-Y81 CarbonylContact O-C 3.59Å; G36-Y81 WeakPolarHBondContact O-CA 3.43Å; Q76-Y81 CarbonylContact C-O 3.57Å; Q76-Y81 WeakPolarHBondContact CA-O 3.5Å; C77-Y81 PolarHBondContact N-O 3.42Å; C79-Y81 WeakPolarHBondContact SG-CD2 3.48Å; Y81-F83 WeakPolarHBondContact O-CD2 3.32Å; Y81-F83 WeakPolarHBondContact O-CE2 3.4Å
82W96.3Very high85Confident61 Ų6171.7 Ų71.723%0.23140%0.404CS..EExtended strand (participates in β ladder)trans-95.3148.7177.3-69.284.5000111.7G36 T37 T38 P41 N42 N74 K75 Q76G36-W82 PolarHBondContact O-N 3.46Å; T37-W82 WeakPolarHBondContact O-CB 3.47Å; T38-W82 HydrophobicContact CG2-CD2 4.49Å; T38-W82 HydrophobicContact CG2-CZ2 4.45Å; T38-W82 PolarHBondContact OG1-NE1 3.49Å; T38-W82 VanDerWaalsContact OG1-NE1 3.11Å; P41-W82 HydrophobicContact CB-CB 3.89Å; N42-W82 WeakPolarHBondContact CB-O 3.26Å; N42-W82 PolarHBondContact N-O 2.93Å; N42-W82 PolarHBondContact ND2-O 2.63Å; N74-W82 HydrophobicContact CB-CE3 3.97Å; N74-W82 HydrophobicContact CB-CZ3 4.27Å; K75-W82 CarbonylContact O-C 3.57Å; K75-W82 WeakPolarHBondContact O-CA 3.47Å; Q76-W82 HydrophobicContact CB-CD2 4.04Å; Q76-W82 HydrophobicContact CB-CE3 4.11Å; Q76-W82 HydrophobicContact CB-CH2 4.28Å; Q76-W82 HydrophobicContact CB-CZ2 4.18Å; Q76-W82 HydrophobicContact CB-CZ3 4.24Å; Q76-W82 HydrophobicContact CG-CD2 4.07Å; Q76-W82 HydrophobicContact CG-CG 4.31Å; Q76-W82 HydrophobicContact CG-CZ2 4.23Å
83F96.1Very high82.5Confident8 Ų880.3 Ų80.34%0.03542%0.421CS..EExtended strand (participates in β ladder)trans-136.6141.4-178.8-62.9-102.9000109.7N42 I44 V53 C55 M67 L69 N74 K75 C77 Y81N42-F83 HydrophobicContact CB-CD1 3.49Å; N42-F83 VanDerWaalsContact CB-CD1 3.49Å; N42-F83 HydrophobicContact CB-CE1 3.71Å; N42-F83 HydrophobicContact CB-CG 4.07Å; N42-F83 HydrophobicContact CB-CZ 4.45Å; N42-F83 CarbonylContact O-C 3.57Å; N42-F83 VanDerWaalsContact O-CA 3.28Å; N42-F83 WeakPolarHBondContact O-CA 3.41Å; I44-F83 HydrophobicContact CD1-CD1 4.43Å; I44-F83 HydrophobicContact CG1-CD1 4.26Å; V53-F83 HydrophobicContact CG1-CD1 4.28Å; V53-F83 HydrophobicContact CG1-CE1 4.25Å; C55-F83 HydrophobicContact CB-CZ 4.01Å; M67-F83 HydrophobicContact CE-CB 3.95Å; M67-F83 HydrophobicContact CE-CD1 3.78Å; M67-F83 HydrophobicContact CE-CD2 3.14Å; M67-F83 HydrophobicContact CE-CE1 4.04Å; M67-F83 HydrophobicContact CE-CE2 3.47Å; M67-F83 VanDerWaalsContact CE-CE2 3.47Å; M67-F83 HydrophobicContact CE-CG 3.34Å; M67-F83 HydrophobicContact CE-CZ 3.91Å; M67-F83 HydrophobicContact SD-CD2 4.38Å; L69-F83 HydrophobicContact CD1-CB 3.83Å; L69-F83 HydrophobicContact CD2-CB 3.86Å; N74-F83 CarbonylContact C-O 3.14Å; N74-F83 VanDerWaalsContact CA-O 3.3Å; N74-F83 WeakPolarHBondContact CA-O 3.42Å; K75-F83 PolarHBondContact N-O 3.5Å; K75-F83 PolarHBondContact O-N 3.43Å; C77-F83 HydrophobicContact CB-CD2 4.47Å; C77-F83 HydrophobicContact CB-CE2 3.79Å; Y81-F83 WeakPolarHBondContact O-CD2 3.32Å; Y81-F83 WeakPolarHBondContact O-CE2 3.4Å
84Q94.8Very high81.8Confident65 Ų6578.2 Ų78.230%0.30442%0.415SS..EExtended strand (participates in β ladder)trans-128.1129.4178.2-178.1172.51600109.3P41 N42 I44 N74 V86P41-Q84 HydrophobicContact CB-CB 4.16Å; P41-Q84 HydrophobicContact CG-CB 3.85Å; N42-Q84 PolarHBondContact O-N 3.48Å; I44-Q84 PolarHBondContact N-O 3Å; N74-Q84 VanDerWaalsContact OD1-CB 3.3Å; N74-Q84 WeakPolarHBondContact OD1-CB 3.44Å; N74-Q84 WeakPolarHBondContact OD1-CG 3.1Å; Q84-V86 HydrophobicContact CG-CG1 4.1Å
85L94.6Very high81.1Confident4 Ų478.9 Ų78.92%0.02142%0.419CS..EExtended strand (participates in β ladder)trans-91.2119.9172.6-163.669000109.6I44 R51 L69 K71I44-L85 HydrophobicContact CB-CD1 4.09Å; I44-L85 HydrophobicContact CG2-CD1 3.93Å; I44-L85 CarbonylContact O-C 3.26Å; I44-L85 WeakPolarHBondContact O-CA 3.47Å; I44-L85 WeakPolarHBondContact O-CD1 3.23Å; R51-L85 HydrophobicContact CB-CD1 3.72Å; R51-L85 HydrophobicContact CB-CD2 4.19Å; L69-L85 HydrophobicContact CB-CB 3.93Å; L69-L85 HydrophobicContact CB-CD1 4.31Å; L69-L85 HydrophobicContact CB-CD2 4.26Å; L69-L85 HydrophobicContact CB-CG 4.42Å; L69-L85 HydrophobicContact CD1-CD1 4.47Å; K71-L85 HydrophobicContact CG-CD2 3.94Å; K71-L85 HydrophobicContact CG-CG 4.12Å
86V92.6Very high80.2Confident44 Ų4478.6 Ų78.627%0.26742%0.422SS..EExtended strand (participates in β ladder)trans-112.8160.8175.8-58.20000110.3V43 I44 V45 S46 Q84V43-V86 HydrophobicContact CG1-CB 4.31Å; V43-V86 HydrophobicContact CG1-CG1 3.85Å; V43-V86 HydrophobicContact CG1-CG2 3.46Å; V43-V86 VanDerWaalsContact CG1-CG2 3.46Å; I44-V86 PolarHBondContact O-N 3.04Å; V45-V86 CarbonylContact C-O 3.56Å; V45-V86 WeakPolarHBondContact CA-O 3.35Å; V45-V86 HydrophobicContact CB-CG2 4.46Å; V45-V86 HydrophobicContact CG1-CG2 3.76Å; S46-V86 PolarHBondContact N-O 2.99Å; Q84-V86 HydrophobicContact CG-CG1 4.1Å
87D91.5Very high79.3Confident85 Ų8577.4 Ų77.446%0.45542%0.42SS..EExtended strand (participates in β ladder)trans-64.2147.1174.4-135.8-48.6000110.9K71 N89K71-D87 IonicContact NZ-OD1 3.66Å; K71-D87 PolarHBondContact NZ-OD1 3.38Å; K71-D87 IonicContact NZ-OD2 2.77Å; K71-D87 PolarHBondContact NZ-OD2 3.08Å; D87-N89 HydrophobicContact CB-CB 4.1Å; D87-N89 PolarHBondContact O-N 3.07Å
88D83.6Confident78.2Confident34 Ų3481.6 Ų81.618%0.18244%0.442CS..  trans-81.512.7172.479.4-28.3000112.2R25 V45 S46 S47R25-D88 PolarHBondContact NH1-O 3.38Å; V45-D88 HydrophobicContact CB-CB 4.33Å; S46-D88 PolarHBondContact O-N 2.92Å; S47-D88 VanDerWaalsContact CA-CG 3.49Å; S47-D88 WeakPolarHBondContact CA-OD1 3.49Å; S47-D88 VanDerWaalsContact CB-CG 3.46Å; S47-D88 VanDerWaalsContact CB-OD1 3.31Å; S47-D88 WeakPolarHBondContact CB-OD1 3.48Å; S47-D88 WeakPolarHBondContact CB-OD2 3.08Å; S47-D88 PolarHBondContact OG-OD2 3.05Å
89N69.1Low77.3Confident131 Ų13181.2 Ų81.270%0.70142%0.423SS*.PPolyproline II helixtrans-51.7116.1-168.8-152.329.7000109.5D87D87-N89 HydrophobicContact CB-CB 4.1Å; D87-N89 PolarHBondContact O-N 3.07Å
90P47Very low76.1Confident72 Ų7283.4 Ų83.447%0.46843%0.428SS..PPolyproline II helixtrans-71.3142.6-177.932.5-32.9000106.7P92P90-P92 WeakPolarHBondContact O-CD 3.46Å
91E36.7Very low74.7Confident181 Ų18187.5 Ų87.585%0.84644%0.438SS*.PPolyproline II helixtrans-50.9122.1149.3-72.6-170.8159.900106.2F93E91-F93 PolarHBondContact O-N 2.95Å
92P34.6Very low73Confident114 Ų11487.9 Ų87.974%0.7445%0.448SS*.PPolyproline II helixtrans-67.4131.1173.529.8-29.3000105.6P90P90-P92 WeakPolarHBondContact O-CD 3.46Å
93F39Very low70.9Confident256 Ų25690.4 Ų90.4100%1.12347%0.467SS*.  trans-51.10159-51.9-83.2000110E91E91-F93 PolarHBondContact O-N 2.95Å

Retrieved 93 of 93 residues in 48.7 ms (Link to these results)