A0A077Z0H9_TRITR Loading...

WAP domain containing protein, SLPI-like

AlphaFold DB , UniProt , Accession A0A077Z0H9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 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
1M81Confident91.6Very high89 Ų8952.9 Ų52.944%0.43830%0.303SS..  0129.30-62.5175.280.900109.8D23 K74M1-D23 WeakPolarHBondContact CA-OD2 3.37Å; M1-D23 WeakPolarHBondContact CB-OD2 3.35Å; M1-K74 HydrophobicContact CE-CB 4.28Å; M1-K74 HydrophobicContact CE-CD 3.84Å; M1-K74 HydrophobicContact CE-CG 3.61Å; M1-K74 HydrophobicContact SD-CD 4.17Å; M1-K74 HydrophobicContact SD-CG 3.85Å
2H89.7Confident91.6Very high34 Ų3450.8 Ų50.816%0.15729%0.287CS..  trans-65.6169.7174.2-67.7163.4000111.7D23 C26 E27 Q30 R31 K74H2-D23 HydrophobicContact CB-CB 4.4Å; H2-D23 PolarHBondContact CE1-O 2.66Å; H2-D23 PolarHBondContact N-OD2 2.03Å; H2-D23 PolarHBondContact ND1-O 3.39Å; H2-C26 PolarHBondContact CE1-O 2.93Å; H2-E27 PolarHBondContact CE1-O 2.53Å; H2-E27 PolarHBondContact ND1-O 2.84Å; H2-Q30 PolarHBondContact ND1-O 2.04Å; H2-R31 HydrophobicContact CB-CG 3.8Å; H2-K74 PolarHBondContact O-NZ 2.91Å
3N91Very high91.8Very high136 Ų13655.8 Ų55.873%0.72730%0.303SS*.SBendtrans-72.1160.4176.2-74.2-22.9000111.1T44N3-T44 WeakPolarHBondContact O-CG2 3.36Å
4G92.6Very high91.9Very high18 Ų1863.1 Ų63.119%0.18633%0.334CS..SBendtrans76.3179-176.300000113.7R31G4-R31 VanDerWaalsContact O-CD 3.24Å; G4-R31 WeakPolarHBondContact O-CD 3.48Å; G4-R31 PolarHBondContact O-NH1 2.89Å
5N94.4Very high92.1Very high23 Ų2362.2 Ų62.212%0.12333%0.329CS..BIsolated β-bridgetrans-117.2158.6-175.9-60.5-36.1000111T44 V45 Y47 V75N5-T44 WeakPolarHBondContact O-CA 3.42Å; N5-V45 HydrophobicContact CB-CG2 4.14Å; N5-V45 PolarHBondContact N-O 2.75Å; N5-V45 PolarHBondContact O-N 3.27Å; N5-Y47 PolarHBondContact ND2-O 3.26Å; N5-V75 HydrophobicContact CB-CG2 4.16Å
6C95.4Very high92.3Very high1 Ų165.4 Ų65.41%0.00735%0.351CS..PPolyproline II helixtrans-63136.8166.6-65.70000110.4C33 Q77 D78C6-C33 WeakPolarHBondContact CA-SG 3.26Å; C6-C33 HydrophobicContact CB-CB 3.65Å; C6-C33 WeakPolarHBondContact CB-SG 2.95Å; C6-C33 VanDerWaalsContact SG-CA 3.58Å; C6-C33 WeakPolarHBondContact SG-CB 3.45Å; C6-C33 CovalentContact SG-SG 2.02Å; C6-C33 PolarHBondContact SG-SG 2.85Å; C6-Q77 HydrophobicContact CB-CB 4.34Å; C6-Q77 PolarHBondContact O-NE2 3.19Å; C6-D78 PolarHBondContact N-OD1 3.34Å; C6-D78 PolarHBondContact SG-OD1 2.73Å
7P95.1Very high92.5Very high41 Ų4167.8 Ų67.827%0.26636%0.358SS..PPolyproline II helixtrans-61.5151.1169.627.6-33.4000110V42 V45P7-V42 HydrophobicContact CG-CB 4.42Å; P7-V42 HydrophobicContact CG-CG2 3.9Å; P7-V45 HydrophobicContact CB-CG1 4.02Å
8P94Very high92.7Very high56 Ų5668.4 Ų68.436%0.36437%0.365SS..PPolyproline II helixtrans-68.2138.5178.328.6-32.7000111.1A49 V51 Q77P8-A49 HydrophobicContact CB-CB 3.77Å; P8-A49 HydrophobicContact CG-CB 3.79Å; P8-V51 HydrophobicContact CB-CG1 3.92Å; P8-Q77 VanDerWaalsContact N-NE2 3.15Å
9D92.8Very high92.9Very high18 Ų1870.3 Ų70.310%0.09637%0.371CS..PPolyproline II helixtrans-101.4141.7165.9-158.2-39.8000110.5H11 Y12 V35 K36 F54D9-H11 VanDerWaalsContact C-N 3.3Å; D9-H11 WeakPolarHBondContact OD1-CA 3.13Å; D9-H11 WeakPolarHBondContact OD1-CB 3.37Å; D9-H11 IonicContact OD1-CG 3.74Å; D9-H11 PolarHBondContact OD1-N 3.4Å; D9-H11 IonicContact OD1-ND1 3.18Å; D9-Y12 HydrophobicContact CB-CD1 4.3Å; D9-Y12 HydrophobicContact CB-CD2 4.31Å; D9-Y12 HydrophobicContact CB-CE1 4.11Å; D9-Y12 HydrophobicContact CB-CE2 4.14Å; D9-Y12 HydrophobicContact CB-CG 4.38Å; D9-Y12 PolarHBondContact N-OH 3Å; D9-Y12 WeakPolarHBondContact O-CD2 3.37Å; D9-Y12 WeakPolarHBondContact O-CE2 3.45Å; D9-V35 VanDerWaalsContact OD2-CA 3.23Å; D9-V35 WeakPolarHBondContact OD2-CA 2.98Å; D9-V35 WeakPolarHBondContact OD2-CG1 3.38Å; D9-K36 PolarHBondContact OD2-N 3.39Å; D9-F54 WeakPolarHBondContact O-CD2 3.33Å
10A90Very high93.1Very high55 Ų5566.9 Ų66.946%0.45535%0.354SS..SBendtrans-83.9-7.9172.100000113F54A10-F54 HydrophobicContact CB-CE1 4.23Å; A10-F54 HydrophobicContact CB-CE2 4.43Å; A10-F54 HydrophobicContact CB-CZ 3.85Å
11H92Very high93Very high111 Ų11170.3 Ų70.351%0.51437%0.372SS..SBendtrans-131.838.1-168.9-52.995.3000112.4D9 K13 K36D9-H11 VanDerWaalsContact C-N 3.3Å; D9-H11 WeakPolarHBondContact OD1-CA 3.13Å; D9-H11 WeakPolarHBondContact OD1-CB 3.37Å; D9-H11 IonicContact OD1-CG 3.74Å; D9-H11 PolarHBondContact OD1-N 3.4Å; D9-H11 IonicContact OD1-ND1 3.18Å; H11-K13 WeakPolarHBondContact O-CG 3.34Å; H11-K13 PolarHBondContact O-N 3.25Å; H11-K36 HydrophobicContact CB-CG 4.04Å; H11-K36 WeakPolarHBondContact O-CA 2.98Å
12Y91.1Very high93.6Very high27 Ų2770 Ų7011%0.10637%0.372CS..  trans-50.6126.1175.4-67-83.5000111.3D9 P34 V51 F54 K55 Q77 A81D9-Y12 HydrophobicContact CB-CD1 4.3Å; D9-Y12 HydrophobicContact CB-CD2 4.31Å; D9-Y12 HydrophobicContact CB-CE1 4.11Å; D9-Y12 HydrophobicContact CB-CE2 4.14Å; D9-Y12 HydrophobicContact CB-CG 4.38Å; D9-Y12 PolarHBondContact N-OH 3Å; D9-Y12 WeakPolarHBondContact O-CD2 3.37Å; D9-Y12 WeakPolarHBondContact O-CE2 3.45Å; Y12-P34 HydrophobicContact CD1-CG 4.41Å; Y12-P34 HydrophobicContact CE1-CG 4.2Å; Y12-V51 HydrophobicContact CE2-CG1 4.29Å; Y12-F54 HydrophobicContact CD2-CB 3.97Å; Y12-F54 HydrophobicContact CD2-CG 4.47Å; Y12-F54 HydrophobicContact CE2-CB 4.35Å; Y12-F54 HydrophobicContact CE2-CD2 4.32Å; Y12-K55 HydrophobicContact CE2-CD 4.48Å; Y12-Q77 WeakPolarHBondContact OH-CA 3.25Å; Y12-A81 WeakPolarHBondContact CB-O 3.48Å
13K93.6Very high93.7Very high116 Ų11669 Ų6950%0.50437%0.368SS..  trans-133.6170.6178.1-73.2174.2176.2-172.80110.6H11 K36 D37 A81H11-K13 WeakPolarHBondContact O-CG 3.34Å; H11-K13 PolarHBondContact O-N 3.25Å; K13-K36 WeakPolarHBondContact CB-O 3.48Å; K13-K36 PolarHBondContact N-O 2.92Å; K13-D37 HydrophobicContact CB-CB 4.05Å; K13-D37 HydrophobicContact CD-CB 4.34Å; K13-A81 WeakPolarHBondContact O-CA 3.31Å; K13-A81 PolarHBondContact O-N 3.19Å
14E93.8Very high93.8Very high158 Ų15867 Ų6774%0.73837%0.365SS*.  trans-60138.3166-68-178.3176.800109.5V16 D37 A81E14-V16 PolarHBondContact O-N 3.28Å; E14-D37 WeakPolarHBondContact O-CA 3.45Å; E14-D37 WeakPolarHBondContact O-CB 3.42Å; E14-A81 HydrophobicContact CG-CB 4.21Å
15I94.4Very high93.9Very high50 Ų5070.2 Ų70.226%0.25638%0.38SS..  trans-75.7120.2-179-58.2-54000109K17 P34 D37 M39 P80I15-K17 VanDerWaalsContact CG2-O 3.27Å; I15-K17 WeakPolarHBondContact CG2-O 3.01Å; I15-P34 HydrophobicContact CD1-CB 4.06Å; I15-D37 WeakPolarHBondContact CA-O 3.39Å; I15-M39 HydrophobicContact CB-CG 4.41Å; I15-M39 HydrophobicContact CD1-CG 3.95Å; I15-M39 HydrophobicContact CD1-SD 3.83Å; I15-M39 HydrophobicContact CG1-CG 3.86Å; I15-M39 HydrophobicContact CG1-SD 3.98Å; I15-M39 HydrophobicContact CG2-CB 4.47Å; I15-M39 HydrophobicContact CG2-CG 3.71Å; I15-P80 HydrophobicContact CD1-CB 3.78Å; I15-P80 HydrophobicContact CG1-CB 3.53Å; I15-P80 HydrophobicContact CG1-CG 4.22Å
16V95.8Very high94Very high113 Ų11369.7 Ų69.769%0.68538%0.379SS*.  trans-110.1-14.8173.7-54.20000112.1E14 D37E14-V16 PolarHBondContact O-N 3.28Å; V16-D37 HydrophobicContact CG2-CB 3.89Å; V16-D37 PolarHBondContact N-O 3Å
17K96.1Very high94Very high107 Ų10775.8 Ų75.847%0.46541%0.407SS..EExtended strand (participates in β ladder)trans-135.7137.3-178.8-172-174.5-178.1-162.40110.6I15 E19 D37 T38 M39I15-K17 VanDerWaalsContact CG2-O 3.27Å; I15-K17 WeakPolarHBondContact CG2-O 3.01Å; K17-E19 HydrophobicContact CD-CG 4.48Å; K17-E19 VanDerWaalsContact CE-OE1 3.31Å; K17-E19 WeakPolarHBondContact CE-OE1 3.34Å; K17-E19 IonicContact NZ-OE1 2.66Å; K17-E19 PolarHBondContact NZ-OE1 3.38Å; K17-D37 PolarHBondContact N-O 2.9Å; K17-T38 HydrophobicContact CB-CG2 4.05Å; K17-T38 HydrophobicContact CD-CG2 3.94Å; K17-T38 HydrophobicContact CG-CG2 4.06Å; K17-T38 CarbonylContact O-C 3.59Å; K17-T38 WeakPolarHBondContact O-CA 2.97Å; K17-M39 PolarHBondContact O-N 3.28Å
18T95.9Very high93.8Very high78 Ų7881 Ų8148%0.47943%0.43SS..EExtended strand (participates in β ladder)trans-123.7118.7178.3-51.50000109.1C20 D21 M39T18-C20 WeakPolarHBondContact CG2-O 3.07Å; T18-D21 WeakPolarHBondContact CG2-OD1 3.35Å; T18-M39 HydrophobicContact CG2-CB 4.15Å
19E96.9Very high93.8Very high104 Ų10483 Ų8349%0.48644%0.438SS..SBendtrans-106-17174.3-58.8179.1175.500111.7K17 T38 M39 K40K17-E19 HydrophobicContact CD-CG 4.48Å; K17-E19 VanDerWaalsContact CE-OE1 3.31Å; K17-E19 WeakPolarHBondContact CE-OE1 3.34Å; K17-E19 IonicContact NZ-OE1 2.66Å; K17-E19 PolarHBondContact NZ-OE1 3.38Å; E19-T38 HydrophobicContact CG-CG2 3.85Å; E19-M39 WeakPolarHBondContact CA-O 3.44Å; E19-M39 WeakPolarHBondContact CB-O 3.17Å; E19-M39 PolarHBondContact N-O 2.04Å; E19-K40 HydrophobicContact CB-CB 4.13Å; E19-K40 WeakPolarHBondContact OE2-CB 3Å
20C95.7Very high94Very high3 Ų384.9 Ų84.92%0.0245%0.445CS..  trans-142.8143.2169.757.30000108.9T18 V25 C32 K40T18-C20 WeakPolarHBondContact CG2-O 3.07Å; C20-V25 HydrophobicContact CB-CB 4.15Å; C20-V25 HydrophobicContact CB-CG1 4.19Å; C20-C32 HydrophobicContact CB-CB 3.86Å; C20-C32 WeakPolarHBondContact CB-SG 3.39Å; C20-C32 PolarHBondContact O-SG 3.14Å; C20-C32 WeakPolarHBondContact SG-CA 3.44Å; C20-C32 WeakPolarHBondContact SG-CB 3.01Å; C20-C32 CovalentContact SG-SG 2.03Å; C20-C32 PolarHBondContact SG-SG 3.03Å; C20-K40 WeakPolarHBondContact SG-CA 3.37Å; C20-K40 PolarHBondContact SG-N 2.92Å
21D92.3Very high94.2Very high138 Ų13882.4 Ų82.474%0.73843%0.425SS*.SBendtrans-91.6-35.1177-66.4-42.6000111.7T18T18-D21 WeakPolarHBondContact CG2-OD1 3.35Å
22D92.2Very high94.4Very high82 Ų8277.6 Ų77.644%0.43940%0.403SS..SBendtrans-153.3176.1177.365.655.4000111.4S24 V25 C32D22-S24 PolarHBondContact O-N 3.48Å; D22-S24 WeakPolarHBondContact OD1-CA 3.27Å; D22-S24 WeakPolarHBondContact OD1-CB 3.38Å; D22-S24 PolarHBondContact OD1-N 2.87Å; D22-S24 PolarHBondContact OD1-OG 3.22Å; D22-V25 PolarHBondContact O-N 2.98Å; D22-C32 VanDerWaalsContact C-CB 3.45Å; D22-C32 WeakPolarHBondContact O-CB 3.34Å
23D92.9Very high94.6Very high13 Ų1376.4 Ų76.47%0.0740%0.399CS..G310 helixtrans-59.9-25.3-178-71.2-15.9000113.5M1 H2 V25 C26 R31 C32M1-D23 WeakPolarHBondContact CA-OD2 3.37Å; M1-D23 WeakPolarHBondContact CB-OD2 3.35Å; H2-D23 HydrophobicContact CB-CB 4.4Å; H2-D23 PolarHBondContact CE1-O 2.66Å; H2-D23 PolarHBondContact N-OD2 2.03Å; H2-D23 PolarHBondContact ND1-O 3.39Å; D23-V25 PolarHBondContact O-N 2.99Å; D23-C26 WeakPolarHBondContact O-CB 3.19Å; D23-C26 PolarHBondContact O-N 3.34Å; D23-R31 WeakPolarHBondContact OD1-CA 2.95Å; D23-R31 WeakPolarHBondContact OD1-CB 3.36Å; D23-R31 IonicContact OD1-NE 3.27Å; D23-R31 IonicContact OD2-NE 3.34Å; D23-R31 PolarHBondContact OD2-NE 3.06Å; D23-C32 PolarHBondContact OD1-N 2.79Å
24S93.1Very high94.7Very high95 Ų9571 Ų7166%0.66438%0.375SS*.G310 helixtrans-69.1-16.7-177.876.20000113.7D22 C26D22-S24 PolarHBondContact O-N 3.48Å; D22-S24 WeakPolarHBondContact OD1-CA 3.27Å; D22-S24 WeakPolarHBondContact OD1-CB 3.38Å; D22-S24 PolarHBondContact OD1-N 2.87Å; D22-S24 PolarHBondContact OD1-OG 3.22Å; S24-C26 VanDerWaalsContact C-N 3.33Å
25V95.2Very high94.8Very high85 Ų8564.9 Ų64.952%0.51535%0.349SS..G310 helixtrans-79.6-20.4172.9-1760000111.4C20 D22 D23C20-V25 HydrophobicContact CB-CB 4.15Å; C20-V25 HydrophobicContact CB-CG1 4.19Å; D22-V25 PolarHBondContact O-N 2.98Å; D23-V25 PolarHBondContact O-N 2.99Å
26C96Very high94.8Very high13 Ų1367.9 Ų67.99%0.08836%0.36CS..SBendtrans-94.3163.1-175.2-56.30000112.2H2 D23 S24 Q30 C41H2-C26 PolarHBondContact CE1-O 2.93Å; D23-C26 WeakPolarHBondContact O-CB 3.19Å; D23-C26 PolarHBondContact O-N 3.34Å; S24-C26 VanDerWaalsContact C-N 3.33Å; C26-Q30 HydrophobicContact CB-CB 3.8Å; C26-C41 WeakPolarHBondContact CA-SG 3.02Å; C26-C41 HydrophobicContact CB-CB 3.69Å; C26-C41 WeakPolarHBondContact CB-SG 3.47Å; C26-C41 WeakPolarHBondContact SG-CA 3.03Å; C26-C41 WeakPolarHBondContact SG-CB 3.48Å; C26-C41 CovalentContact SG-SG 2.04Å; C26-C41 PolarHBondContact SG-SG 3.18Å
27E95.9Very high94.8Very high128 Ų12865 Ų6560%0.59834%0.341SS*.  trans-64162170.8-63.1-63.2155.300111.6H2 D29 Q30H2-E27 PolarHBondContact CE1-O 2.53Å; H2-E27 PolarHBondContact ND1-O 2.84Å; E27-D29 WeakPolarHBondContact CB-OD1 3.45Å; E27-D29 PolarHBondContact O-N 2.83Å; E27-D29 VanDerWaalsContact O-N 3.14Å; E27-Q30 HydrophobicContact CB-CB 4.34Å; E27-Q30 HydrophobicContact CB-CG 4.13Å; E27-Q30 WeakPolarHBondContact O-CA 3.38Å; E27-Q30 WeakPolarHBondContact O-CB 3.43Å; E27-Q30 PolarHBondContact O-N 3.47Å; E27-Q30 VanDerWaalsContact O-O 3.08Å
28M90.3Very high94.8Very high151 Ų15160.9 Ų60.974%0.74432%0.324SS*.THydrogen-bonded Turntrans-60.1-26.5-175-73.1-65.5-59.700114.6
29D94.2Very high94.8Very high99 Ų9958.7 Ų58.753%0.52931%0.309SS..THydrogen-bonded Turntrans-94.82177.168.2-35.4000113E27 T44E27-D29 WeakPolarHBondContact CB-OD1 3.45Å; E27-D29 PolarHBondContact O-N 2.83Å; E27-D29 VanDerWaalsContact O-N 3.14Å; D29-T44 WeakPolarHBondContact O-CG2 3.22Å; D29-T44 PolarHBondContact O-N 2.97Å; D29-T44 PolarHBondContact O-OG1 2.98Å
30Q96.4Very high94.8Very high56 Ų5657.2 Ų57.226%0.26230%0.301SS..EExtended strand (participates in β ladder)trans-114.7154.8-178.4-64.6-178.4-11.300111.9H2 C26 E27 C41 V42H2-Q30 PolarHBondContact ND1-O 2.04Å; C26-Q30 HydrophobicContact CB-CB 3.8Å; E27-Q30 HydrophobicContact CB-CB 4.34Å; E27-Q30 HydrophobicContact CB-CG 4.13Å; E27-Q30 WeakPolarHBondContact O-CA 3.38Å; E27-Q30 WeakPolarHBondContact O-CB 3.43Å; E27-Q30 PolarHBondContact O-N 3.47Å; E27-Q30 VanDerWaalsContact O-O 3.08Å; Q30-C41 HydrophobicContact CB-CB 4.38Å; Q30-V42 CarbonylContact C-O 3.57Å; Q30-V42 WeakPolarHBondContact CA-O 3.24Å; Q30-V42 WeakPolarHBondContact CB-O 3.37Å
31R94.9Very high94.9Very high4 Ų459 Ų592%0.01531%0.313CS..EExtended strand (participates in β ladder)trans-129.4151.9171.3-78.3-176.270.3-150.4-22.9110.3H2 G4 D23 C33 C41 V42 T44 D78H2-R31 HydrophobicContact CB-CG 3.8Å; G4-R31 VanDerWaalsContact O-CD 3.24Å; G4-R31 WeakPolarHBondContact O-CD 3.48Å; G4-R31 PolarHBondContact O-NH1 2.89Å; D23-R31 WeakPolarHBondContact OD1-CA 2.95Å; D23-R31 WeakPolarHBondContact OD1-CB 3.36Å; D23-R31 IonicContact OD1-NE 3.27Å; D23-R31 IonicContact OD2-NE 3.34Å; D23-R31 PolarHBondContact OD2-NE 3.06Å; R31-C33 PolarHBondContact O-N 2.89Å; R31-C33 PolarHBondContact O-SG 2.83Å; R31-C41 WeakPolarHBondContact O-CA 3.27Å; R31-V42 PolarHBondContact N-O 2.86Å; R31-V42 PolarHBondContact O-N 3.17Å; R31-T44 HydrophobicContact CB-CG2 3.8Å; R31-T44 HydrophobicContact CG-CG2 3.41Å; R31-T44 VanDerWaalsContact CG-CG2 3.41Å; R31-D78 IonicContact CZ-OD1 3.5Å; R31-D78 IonicContact CZ-OD2 3.29Å; R31-D78 IonicContact NH1-OD1 3.07Å; R31-D78 PolarHBondContact NH1-OD1 3.42Å; R31-D78 IonicContact NH1-OD2 3.62Å; R31-D78 PolarHBondContact NH1-OD2 2.88Å; R31-D78 IonicContact NH2-OD1 3.96Å; R31-D78 PolarHBondContact NH2-OD1 3.26Å; R31-D78 IonicContact NH2-OD2 3.62Å; R31-D78 PolarHBondContact NH2-OD2 3Å
32C95.6Very high95.1Very high10 Ų1053.4 Ų53.47%0.06828%0.284CS..EExtended strand (participates in β ladder)trans-79.4103.5174.6-173.80000108.9C20 D22 D23C20-C32 HydrophobicContact CB-CB 3.86Å; C20-C32 WeakPolarHBondContact CB-SG 3.39Å; C20-C32 PolarHBondContact O-SG 3.14Å; C20-C32 WeakPolarHBondContact SG-CA 3.44Å; C20-C32 WeakPolarHBondContact SG-CB 3.01Å; C20-C32 CovalentContact SG-SG 2.03Å; C20-C32 PolarHBondContact SG-SG 3.03Å; D22-C32 VanDerWaalsContact C-CB 3.45Å; D22-C32 WeakPolarHBondContact O-CB 3.34Å; D23-C32 PolarHBondContact OD1-N 2.79Å
33C95.9Very high95.3Very high1 Ų152.4 Ų52.41%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-122.9150.4-167.9-63.60000112.1C6 R31 V35 K40 V42C6-C33 WeakPolarHBondContact CA-SG 3.26Å; C6-C33 HydrophobicContact CB-CB 3.65Å; C6-C33 WeakPolarHBondContact CB-SG 2.95Å; C6-C33 VanDerWaalsContact SG-CA 3.58Å; C6-C33 WeakPolarHBondContact SG-CB 3.45Å; C6-C33 CovalentContact SG-SG 2.02Å; C6-C33 PolarHBondContact SG-SG 2.85Å; R31-C33 PolarHBondContact O-N 2.89Å; R31-C33 PolarHBondContact O-SG 2.83Å; C33-V35 PolarHBondContact O-N 3.2Å; C33-K40 PolarHBondContact N-O 3.41Å; C33-K40 PolarHBondContact O-N 2.95Å; C33-V42 HydrophobicContact CB-CG2 3.44Å; C33-V42 VanDerWaalsContact CB-CG2 3.44Å; C33-V42 WeakPolarHBondContact SG-CG2 3.32Å
34P95.5Very high95.4Very high3 Ų353.5 Ų53.52%0.01930%0.295CS..EExtended strand (participates in β ladder)trans-71.7119.7170.729.8-33.6000109.9Y12 I15 M39 D78 P80Y12-P34 HydrophobicContact CD1-CG 4.41Å; Y12-P34 HydrophobicContact CE1-CG 4.2Å; I15-P34 HydrophobicContact CD1-CB 4.06Å; P34-M39 HydrophobicContact CB-SD 3.83Å; P34-D78 WeakPolarHBondContact CD-O 3.41Å; P34-P80 HydrophobicContact CB-CB 4.13Å
35V95.5Very high95.6Very high30 Ų3050.2 Ų50.218%0.18227%0.271CS..EExtended strand (participates in β ladder)trans-126.1112.1171-177.70000108.5D9 C33 D37 T38 K40 V42D9-V35 VanDerWaalsContact OD2-CA 3.23Å; D9-V35 WeakPolarHBondContact OD2-CA 2.98Å; D9-V35 WeakPolarHBondContact OD2-CG1 3.38Å; C33-V35 PolarHBondContact O-N 3.2Å; V35-D37 PolarHBondContact O-N 2.85Å; V35-D37 VanDerWaalsContact O-N 3.14Å; V35-T38 PolarHBondContact N-O 3.03Å; V35-T38 PolarHBondContact O-N 3.3Å; V35-T38 VanDerWaalsContact O-O 3.11Å; V35-K40 HydrophobicContact CB-CD 4.26Å; V35-K40 HydrophobicContact CB-CG 4.29Å; V35-K40 HydrophobicContact CG2-CD 4.42Å; V35-K40 HydrophobicContact CG2-CG 4.09Å; V35-V42 HydrophobicContact CG2-CG1 3.71Å
36K94.7Very high95.5Very high112 Ų11253.7 Ų53.749%0.48729%0.286SS..THydrogen-bonded Turntrans55.7-110.5-167.4-60.4172.2177.2178.50110.7D9 H11 K13D9-K36 PolarHBondContact OD2-N 3.39Å; H11-K36 HydrophobicContact CB-CG 4.04Å; H11-K36 WeakPolarHBondContact O-CA 2.98Å; K13-K36 WeakPolarHBondContact CB-O 3.48Å; K13-K36 PolarHBondContact N-O 2.92Å
37D95.2Very high95.4Very high54 Ų5459 Ų5929%0.28931%0.305SS..THydrogen-bonded Turntrans-111.214.1-17958.1-1.4000112K13 E14 I15 V16 K17 V35K13-D37 HydrophobicContact CB-CB 4.05Å; K13-D37 HydrophobicContact CD-CB 4.34Å; E14-D37 WeakPolarHBondContact O-CA 3.45Å; E14-D37 WeakPolarHBondContact O-CB 3.42Å; I15-D37 WeakPolarHBondContact CA-O 3.39Å; V16-D37 HydrophobicContact CG2-CB 3.89Å; V16-D37 PolarHBondContact N-O 3Å; K17-D37 PolarHBondContact N-O 2.9Å; V35-D37 PolarHBondContact O-N 2.85Å; V35-D37 VanDerWaalsContact O-N 3.14Å
38T96.3Very high95.4Very high19 Ų1957.7 Ų57.712%0.11731%0.306CS..EExtended strand (participates in β ladder)trans-125.2130.2-176.6-55.60000111.5K17 E19 V35 K40K17-T38 HydrophobicContact CB-CG2 4.05Å; K17-T38 HydrophobicContact CD-CG2 3.94Å; K17-T38 HydrophobicContact CG-CG2 4.06Å; K17-T38 CarbonylContact O-C 3.59Å; K17-T38 WeakPolarHBondContact O-CA 2.97Å; E19-T38 HydrophobicContact CG-CG2 3.85Å; V35-T38 PolarHBondContact N-O 3.03Å; V35-T38 PolarHBondContact O-N 3.3Å; V35-T38 VanDerWaalsContact O-O 3.11Å; T38-K40 HydrophobicContact CG2-CB 4.36Å
39M96Very high95.5Very high33 Ų3351.4 Ų51.416%0.16328%0.278CS..EExtended strand (participates in β ladder)trans-81.4121.9165-68.7-60.7-64.700109.2I15 K17 T18 E19 P34I15-M39 HydrophobicContact CB-CG 4.41Å; I15-M39 HydrophobicContact CD1-CG 3.95Å; I15-M39 HydrophobicContact CD1-SD 3.83Å; I15-M39 HydrophobicContact CG1-CG 3.86Å; I15-M39 HydrophobicContact CG1-SD 3.98Å; I15-M39 HydrophobicContact CG2-CB 4.47Å; I15-M39 HydrophobicContact CG2-CG 3.71Å; K17-M39 PolarHBondContact O-N 3.28Å; T18-M39 HydrophobicContact CG2-CB 4.15Å; E19-M39 WeakPolarHBondContact CA-O 3.44Å; E19-M39 WeakPolarHBondContact CB-O 3.17Å; E19-M39 PolarHBondContact N-O 2.04Å; P34-M39 HydrophobicContact CB-SD 3.83Å
40K97Very high95.4Very high72 Ų7252.7 Ų52.731%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-151.3158.2179.968.2-174.8-168.1-175.80112.4E19 C20 C33 V35 T38 V42E19-K40 HydrophobicContact CB-CB 4.13Å; E19-K40 WeakPolarHBondContact OE2-CB 3Å; C20-K40 WeakPolarHBondContact SG-CA 3.37Å; C20-K40 PolarHBondContact SG-N 2.92Å; C33-K40 PolarHBondContact N-O 3.41Å; C33-K40 PolarHBondContact O-N 2.95Å; V35-K40 HydrophobicContact CB-CD 4.26Å; V35-K40 HydrophobicContact CB-CG 4.29Å; V35-K40 HydrophobicContact CG2-CD 4.42Å; V35-K40 HydrophobicContact CG2-CG 4.09Å; T38-K40 HydrophobicContact CG2-CB 4.36Å; K40-V42 HydrophobicContact CG-CG1 4.03Å; K40-V42 PolarHBondContact O-N 3.03Å
41C97.4Very high95.2Very high41 Ų4150.2 Ų50.228%0.27727%0.273SS..EExtended strand (participates in β ladder)trans-68.6125.7175.1-59.80000110.5C26 Q30 R31C26-C41 WeakPolarHBondContact CA-SG 3.02Å; C26-C41 HydrophobicContact CB-CB 3.69Å; C26-C41 WeakPolarHBondContact CB-SG 3.47Å; C26-C41 WeakPolarHBondContact SG-CA 3.03Å; C26-C41 WeakPolarHBondContact SG-CB 3.48Å; C26-C41 CovalentContact SG-SG 2.04Å; C26-C41 PolarHBondContact SG-SG 3.18Å; Q30-C41 HydrophobicContact CB-CB 4.38Å; R31-C41 WeakPolarHBondContact O-CA 3.27Å
42V96.9Very high95Very high20 Ų2052.4 Ų52.412%0.12129%0.289CS..EExtended strand (participates in β ladder)trans-133.9150.6176.3-610000110.6P7 Q30 R31 C33 V35 K40 T44P7-V42 HydrophobicContact CG-CB 4.42Å; P7-V42 HydrophobicContact CG-CG2 3.9Å; Q30-V42 CarbonylContact C-O 3.57Å; Q30-V42 WeakPolarHBondContact CA-O 3.24Å; Q30-V42 WeakPolarHBondContact CB-O 3.37Å; R31-V42 PolarHBondContact N-O 2.86Å; R31-V42 PolarHBondContact O-N 3.17Å; C33-V42 HydrophobicContact CB-CG2 3.44Å; C33-V42 VanDerWaalsContact CB-CG2 3.44Å; C33-V42 WeakPolarHBondContact SG-CG2 3.32Å; V35-V42 HydrophobicContact CG2-CG1 3.71Å; K40-V42 HydrophobicContact CG-CG1 4.03Å; K40-V42 PolarHBondContact O-N 3.03Å; V42-T44 PolarHBondContact O-N 3.35Å
43A96.9Very high94.8Very high61 Ų6158.9 Ų58.950%0.50432%0.319SS..EExtended strand (participates in β ladder)trans-58.3133.8173.200000110.5
44T95.7Very high94.5Very high37 Ų3762 Ų6223%0.22733%0.332CS..  trans-76.4157.1-177.554.80000112.5N3 N5 D29 R31 V42N3-T44 WeakPolarHBondContact O-CG2 3.36Å; N5-T44 WeakPolarHBondContact O-CA 3.42Å; D29-T44 WeakPolarHBondContact O-CG2 3.22Å; D29-T44 PolarHBondContact O-N 2.97Å; D29-T44 PolarHBondContact O-OG1 2.98Å; R31-T44 HydrophobicContact CB-CG2 3.8Å; R31-T44 HydrophobicContact CG-CG2 3.41Å; R31-T44 VanDerWaalsContact CG-CG2 3.41Å; V42-T44 PolarHBondContact O-N 3.35Å
45V95.3Very high94.4Very high26 Ų2662.1 Ų62.116%0.15833%0.332CS..BIsolated β-bridgetrans-118.3150172.1-60.90000111.4N5 P7 Y47N5-V45 HydrophobicContact CB-CG2 4.14Å; N5-V45 PolarHBondContact N-O 2.75Å; N5-V45 PolarHBondContact O-N 3.27Å; P7-V45 HydrophobicContact CB-CG1 4.02Å; V45-Y47 VanDerWaalsContact C-N 3.34Å; V45-Y47 HydrophobicContact CB-CD1 3.85Å; V45-Y47 HydrophobicContact CB-CE1 3.52Å; V45-Y47 HydrophobicContact CG1-CE1 3.83Å; V45-Y47 HydrophobicContact CG2-CD1 4.17Å; V45-Y47 HydrophobicContact CG2-CE1 3.93Å; V45-Y47 HydrophobicContact CG2-CE2 4.35Å; V45-Y47 HydrophobicContact CG2-CG 4.48Å; V45-Y47 PolarHBondContact O-N 3.25Å
46N94.1Very high94.1Very high157 Ų15764.9 Ų64.984%0.8435%0.346SS*.SBendtrans-95.922.9-177.6-67.5-35.5000113.7
47Y94.7Very high94Very high126 Ų12660.1 Ų60.149%0.49433%0.329SS..SBendtrans-133.7158.7177.463.2-91.3000110.3N5 V45 A49N5-Y47 PolarHBondContact ND2-O 3.26Å; V45-Y47 VanDerWaalsContact C-N 3.34Å; V45-Y47 HydrophobicContact CB-CD1 3.85Å; V45-Y47 HydrophobicContact CB-CE1 3.52Å; V45-Y47 HydrophobicContact CG1-CE1 3.83Å; V45-Y47 HydrophobicContact CG2-CD1 4.17Å; V45-Y47 HydrophobicContact CG2-CE1 3.93Å; V45-Y47 HydrophobicContact CG2-CE2 4.35Å; V45-Y47 HydrophobicContact CG2-CG 4.48Å; V45-Y47 PolarHBondContact O-N 3.25Å; Y47-A49 HydrophobicContact CD2-CB 4.23Å; Y47-A49 HydrophobicContact CE2-CB 3.84Å
48V94.3Very high93.9Very high100 Ų10060.4 Ų60.461%0.60633%0.329SS*.  trans-96.7115.1169.6-176.40000106.8V75V48-V75 HydrophobicContact CG1-CB 4.27Å; V48-V75 HydrophobicContact CG1-CG1 3.89Å; V48-V75 HydrophobicContact CG2-CG1 3.9Å
49A92.6Very high93.7Very high19 Ų1962.7 Ų62.716%0.15734%0.344CS..  trans-77.4141.2178.600000110.9P8 Y47 V51 Q77P8-A49 HydrophobicContact CB-CB 3.77Å; P8-A49 HydrophobicContact CG-CB 3.79Å; Y47-A49 HydrophobicContact CD2-CB 4.23Å; Y47-A49 HydrophobicContact CE2-CB 3.84Å; A49-V51 HydrophobicContact CB-CG1 4.22Å; A49-V51 PolarHBondContact O-N 3.48Å; A49-V51 VanDerWaalsContact O-N 3.14Å; A49-Q77 VanDerWaalsContact CB-CD 3.49Å; A49-Q77 HydrophobicContact CB-CG 4.35Å
50D92Very high93.4Very high125 Ų12562.8 Ų62.867%0.66835%0.347SS*.  trans-72.5104.9164.9-174.1-2.6000109.5S52D50-S52 WeakPolarHBondContact OD1-CB 3.41Å; D50-S52 PolarHBondContact OD1-N 3.32Å; D50-S52 PolarHBondContact OD1-OG 3.08Å
51V93.2Very high92.9Very high4 Ų467.7 Ų67.72%0.02437%0.371CS..  trans-107.117.1177.4-67.30000112.1P8 Y12 A49 Q53 F54 K55 N76 Q77P8-V51 HydrophobicContact CB-CG1 3.92Å; Y12-V51 HydrophobicContact CE2-CG1 4.29Å; A49-V51 HydrophobicContact CB-CG1 4.22Å; A49-V51 PolarHBondContact O-N 3.48Å; A49-V51 VanDerWaalsContact O-N 3.14Å; V51-Q53 PolarHBondContact O-N 3.27Å; V51-Q53 VanDerWaalsContact O-N 3.11Å; V51-F54 HydrophobicContact CB-CD2 4.39Å; V51-F54 HydrophobicContact CG1-CD2 4.48Å; V51-F54 PolarHBondContact O-N 2.81Å; V51-K55 HydrophobicContact CG2-CB 4.33Å; V51-K55 HydrophobicContact CG2-CD 3.97Å; V51-K55 PolarHBondContact O-N 3.37Å; V51-N76 HydrophobicContact CG2-CB 3.85Å; V51-Q77 HydrophobicContact CG1-CG 3.82Å; V51-Q77 HydrophobicContact CG2-CG 4.2Å
52S90.3Very high92Very high50 Ų5066.2 Ų66.235%0.3536%0.361SS..THydrogen-bonded Turntrans-58.1-25.7-179.159.90000113.6D50 F54D50-S52 WeakPolarHBondContact OD1-CB 3.41Å; D50-S52 PolarHBondContact OD1-N 3.32Å; D50-S52 PolarHBondContact OD1-OG 3.08Å; S52-F54 VanDerWaalsContact C-N 3.29Å; S52-F54 PolarHBondContact O-N 2.03Å
53Q90.8Very high91.2Very high147 Ų14767.8 Ų67.869%0.68737%0.373SS*.THydrogen-bonded Turntrans-67.7-23.717362.7178.5-27.200114.1V51V51-Q53 PolarHBondContact O-N 3.27Å; V51-Q53 VanDerWaalsContact O-N 3.11Å
54F91.1Very high90.1Very high66 Ų6671.4 Ų71.429%0.28938%0.379SS..THydrogen-bonded Turntrans-110.6-30-178.1-51-57.1000112.5D9 A10 Y12 V51 S52D9-F54 WeakPolarHBondContact O-CD2 3.33Å; A10-F54 HydrophobicContact CB-CE1 4.23Å; A10-F54 HydrophobicContact CB-CE2 4.43Å; A10-F54 HydrophobicContact CB-CZ 3.85Å; Y12-F54 HydrophobicContact CD2-CB 3.97Å; Y12-F54 HydrophobicContact CD2-CG 4.47Å; Y12-F54 HydrophobicContact CE2-CB 4.35Å; Y12-F54 HydrophobicContact CE2-CD2 4.32Å; V51-F54 HydrophobicContact CB-CD2 4.39Å; V51-F54 HydrophobicContact CG1-CD2 4.48Å; V51-F54 PolarHBondContact O-N 2.81Å; S52-F54 VanDerWaalsContact C-N 3.29Å; S52-F54 PolarHBondContact O-N 2.03Å
55K92.7Very high88.8Confident5 Ų572.6 Ų72.62%0.02240%0.399CS..SBendtrans-122.883.4-175-70.4-178.8173.4-75.30109Y12 V51 N76 C79 P80 A81 D83 L84Y12-K55 HydrophobicContact CE2-CD 4.48Å; V51-K55 HydrophobicContact CG2-CB 4.33Å; V51-K55 HydrophobicContact CG2-CD 3.97Å; V51-K55 PolarHBondContact O-N 3.37Å; K55-N76 HydrophobicContact CD-CB 4.06Å; K55-N76 VanDerWaalsContact CD-O 3.26Å; K55-N76 WeakPolarHBondContact CD-O 3.49Å; K55-N76 WeakPolarHBondContact CE-O 3.41Å; K55-C79 VanDerWaalsContact CE-O 3.25Å; K55-C79 WeakPolarHBondContact CE-O 3.35Å; K55-C79 PolarHBondContact NZ-O 2.89Å; K55-P80 PolarHBondContact NZ-O 2.94Å; K55-A81 PolarHBondContact NZ-O 2.03Å; K55-D83 PolarHBondContact NZ-O 2.78Å; K55-L84 HydrophobicContact CB-CD2 3.72Å
56D90.1Very high87.4Confident88 Ų8875.1 Ų75.147%0.47141%0.411SS..  trans-93.8155.4-179.9-170.731.1000111.8P93 R96D56-P93 WeakPolarHBondContact O-CG 3.16Å; D56-R96 WeakPolarHBondContact OD1-CD 3.19Å; D56-R96 IonicContact OD1-CZ 2.83Å; D56-R96 IonicContact OD1-NE 3.63Å; D56-R96 PolarHBondContact OD1-NE 3.15Å; D56-R96 IonicContact OD1-NH1 3.35Å; D56-R96 PolarHBondContact OD1-NH1 2.93Å; D56-R96 IonicContact OD1-NH2 3.15Å; D56-R96 PolarHBondContact OD1-NH2 3.34Å; D56-R96 VanDerWaalsContact OD1-NH2 3.15Å
57G91.8Very high86.2Confident13 Ų1369.1 Ų69.113%0.13438%0.383CS..SBendtrans118-171.6179.600000114.8L94G57-L94 CarbonylContact C-O 3.53Å; G57-L94 WeakPolarHBondContact CA-O 3.12Å
58E92.2Very high84.7Confident60 Ų6069.4 Ų69.428%0.2839%0.387SS..BIsolated β-bridgetrans-121.8146.7179.4-75.2173.4-137.200110L94 R97E58-L94 PolarHBondContact N-O 3.39Å; E58-L94 PolarHBondContact O-N 2.65Å; E58-R97 PolarHBondContact OE1-N 3.35Å; E58-R97 IonicContact OE1-NE 2.93Å; E58-R97 IonicContact OE2-CZ 3Å; E58-R97 IonicContact OE2-NE 3.81Å; E58-R97 PolarHBondContact OE2-NE 3.37Å; E58-R97 IonicContact OE2-NH2 2.82Å; E58-R97 PolarHBondContact OE2-NH2 3.27Å
59C92.1Very high83.5Confident66 Ų6672.1 Ų72.145%0.44640%0.398SS..  trans-61.9128172.3-79.80000110.3C86C59-C86 WeakPolarHBondContact CA-SG 3.36Å; C59-C86 HydrophobicContact CB-CB 3.75Å; C59-C86 WeakPolarHBondContact CB-SG 3.4Å; C59-C86 WeakPolarHBondContact SG-CB 3.33Å; C59-C86 CovalentContact SG-SG 2.03Å; C59-C86 PolarHBondContact SG-SG 3.46Å
60P90.1Very high82.7Confident35 Ų3572 Ų7223%0.22740%0.397CS..  trans-62.4161.5167.827.9-33.7000110.4V62 V91 L94P60-V62 PolarHBondContact O-N 3.29Å; P60-V91 HydrophobicContact CG-CB 4.3Å; P60-V91 HydrophobicContact CG-CG2 3.79Å; P60-L94 HydrophobicContact CB-CD1 4.05Å; P60-L94 HydrophobicContact CB-CD2 4.44Å; P60-L94 HydrophobicContact CB-CG 3.95Å
61H85.9Confident82.2Confident176 Ų17670.7 Ų70.782%0.81539%0.394SS*.  trans-66.2102.6170-178.1-84.2000109.5S63H61-S63 PolarHBondContact O-N 3.29Å
62V80.2Confident81.8Confident10 Ų1075 Ų756%0.06142%0.416CS..  trans-80.9116.5174.6-178.20000107.8P60 I66 A67 C86 Q87P60-V62 PolarHBondContact O-N 3.29Å; V62-I66 HydrophobicContact CG1-CB 3.78Å; V62-I66 HydrophobicContact CG1-CG2 3.68Å; V62-A67 HydrophobicContact CG1-CB 4.49Å; V62-C86 HydrophobicContact CG2-CB 3.98Å; V62-Q87 HydrophobicContact CB-CG 4.47Å; V62-Q87 PolarHBondContact O-OE1 3.44Å
63S78.5Confident81.8Confident53 Ų5372.7 Ų72.737%0.37140%0.4SS..  trans-62.7147.8176.764.50000110.8H61 G65 I66 A67H61-S63 PolarHBondContact O-N 3.29Å; S63-G65 PolarHBondContact O-N 2.81Å; S63-I66 PolarHBondContact O-N 2.84Å; S63-I66 WeakPolarHBondContact OG-CG1 3.32Å; S63-A67 PolarHBondContact O-N 2.02Å
64E73.8Confident81.9Confident136 Ų13670.4 Ų70.464%0.63639%0.388SS*.Hα-helixtrans-51.7-33.8178.1-73.4-168.1-172.100113.8I66 A67 K68E64-I66 PolarHBondContact O-N 2.92Å; E64-A67 PolarHBondContact O-N 3.42Å; E64-K68 VanDerWaalsContact O-CG 3.27Å; E64-K68 WeakPolarHBondContact O-CG 3.32Å; E64-K68 PolarHBondContact O-N 3.37Å; E64-K68 IonicContact OE2-NZ 2.87Å; E64-K68 PolarHBondContact OE2-NZ 3.02Å
65G69.6Low82Confident63 Ų6368.2 Ų68.265%0.64938%0.38SS*.Hα-helixtrans-63.8-26.4179.200000113.7S63S63-G65 PolarHBondContact O-N 2.81Å
66I65.6Low82.1Confident79 Ų7970.8 Ų70.841%0.40539%0.394SS..Hα-helixtrans-87.6-32.4177-64172.3000110.8V62 S63 E64 K89V62-I66 HydrophobicContact CG1-CB 3.78Å; V62-I66 HydrophobicContact CG1-CG2 3.68Å; S63-I66 PolarHBondContact O-N 2.84Å; S63-I66 WeakPolarHBondContact OG-CG1 3.32Å; E64-I66 PolarHBondContact O-N 2.92Å; I66-K89 HydrophobicContact CG2-CD 3.35Å
67A68.5Low82.3Confident30 Ų3066.7 Ų66.725%0.24837%0.372CS..Hα-helixtrans-74.2-31.4179.600000112.8V62 S63 E64 N69 A70 Q87V62-A67 HydrophobicContact CG1-CB 4.49Å; S63-A67 PolarHBondContact O-N 2.02Å; E64-A67 PolarHBondContact O-N 3.42Å; A67-N69 PolarHBondContact O-N 3.1Å; A67-A70 PolarHBondContact O-N 3.14Å; A67-Q87 HydrophobicContact CB-CB 4.17Å; A67-Q87 VanDerWaalsContact CB-OE1 3.23Å
68K64.1Low82.4Confident132 Ų13266.5 Ų66.557%0.57437%0.368SS*.THydrogen-bonded Turntrans-65.5104.9176.5-74.7170.6-170.3168.90108.5E64E64-K68 VanDerWaalsContact O-CG 3.27Å; E64-K68 WeakPolarHBondContact O-CG 3.32Å; E64-K68 PolarHBondContact O-N 3.37Å; E64-K68 IonicContact OE2-NZ 2.87Å; E64-K68 PolarHBondContact OE2-NZ 3.02Å
69N68.4Low82.5Confident157 Ų15763.7 Ų63.784%0.8436%0.355SS*.THydrogen-bonded Turntrans89.210179.6-45.1-32.4000116.8A67 T71A67-N69 PolarHBondContact O-N 3.1Å; N69-T71 PolarHBondContact O-N 2.96Å
70A76.4Confident82.5Confident16 Ų1662 Ų6213%0.13234%0.343CS..  trans-70.6123.5172.900000110.4A67 A88 K89A67-A70 PolarHBondContact O-N 3.14Å; A70-A88 CarbonylContact C-O 3.53Å; A70-A88 HydrophobicContact CB-CB 4.22Å; A70-A88 WeakPolarHBondContact O-CB 3.41Å; A70-K89 HydrophobicContact CB-CB 3.94Å
71T81.7Confident82.7Confident99 Ų9961.2 Ų61.261%0.60734%0.339SS*.  trans-135.824.617658.90000111.4N69N69-T71 PolarHBondContact O-N 2.96Å
72D83.2Confident83.1Confident94 Ų9459.7 Ų59.750%0.50333%0.331SS..SBendtrans-74.3-32.8-172.3-55.8-11.9000110.4A88D72-A88 PolarHBondContact N-O 2.72Å
73C91.9Very high83.8Confident1 Ų161 Ų611%0.00734%0.337CS..  trans-151.4158.2-174.264.90000112.7D78 C85 A88 K89C73-D78 HydrophobicContact CB-CB 3.73Å; C73-C85 HydrophobicContact CB-CB 3.72Å; C73-C85 WeakPolarHBondContact CB-SG 3.03Å; C73-C85 PolarHBondContact O-SG 3.47Å; C73-C85 VanDerWaalsContact O-SG 3.37Å; C73-C85 WeakPolarHBondContact SG-CA 3.4Å; C73-C85 WeakPolarHBondContact SG-CB 3.34Å; C73-C85 CovalentContact SG-SG 2.03Å; C73-C85 PolarHBondContact SG-SG 3.3Å; C73-A88 PolarHBondContact N-O 3.07Å; C73-A88 VanDerWaalsContact O-CA 3.26Å; C73-A88 WeakPolarHBondContact O-CA 3.16Å; C73-A88 WeakPolarHBondContact O-CB 3.46Å; C73-K89 PolarHBondContact SG-N 3Å
74K91.2Very high84.5Confident99 Ų9958.9 Ų58.943%0.4332%0.321SS..SBendtrans-112.1-33.4169.2-72166.3-175.3177.90111.6M1 H2 D78M1-K74 HydrophobicContact CE-CB 4.28Å; M1-K74 HydrophobicContact CE-CD 3.84Å; M1-K74 HydrophobicContact CE-CG 3.61Å; M1-K74 HydrophobicContact SD-CD 4.17Å; M1-K74 HydrophobicContact SD-CG 3.85Å; H2-K74 PolarHBondContact O-NZ 2.91Å; K74-D78 PolarHBondContact N-OD2 2.95Å
75V93.7Very high85.5Confident20 Ų2053.3 Ų53.312%0.12130%0.297CS..SBendtrans-138.7161-176.4-650000110.4N5 V48 Q77 D78 C85N5-V75 HydrophobicContact CB-CG2 4.16Å; V48-V75 HydrophobicContact CG1-CB 4.27Å; V48-V75 HydrophobicContact CG1-CG1 3.89Å; V48-V75 HydrophobicContact CG2-CG1 3.9Å; V75-Q77 HydrophobicContact CG2-CB 4.05Å; V75-Q77 HydrophobicContact CG2-CG 4.45Å; V75-Q77 PolarHBondContact O-N 3.46Å; V75-D78 PolarHBondContact N-OD2 3.07Å; V75-D78 WeakPolarHBondContact O-CB 3.23Å; V75-D78 PolarHBondContact O-N 2.97Å; V75-C85 WeakPolarHBondContact O-CB 3.32Å
76N94.8Very high86.6Confident59 Ų5950.5 Ų50.532%0.31627%0.268SS..G310 helixtrans-56.3-28.1-179.1-68.4-21.3000113.6V51 K55 D78 C79 L84 C85V51-N76 HydrophobicContact CG2-CB 3.85Å; K55-N76 HydrophobicContact CD-CB 4.06Å; K55-N76 VanDerWaalsContact CD-O 3.26Å; K55-N76 WeakPolarHBondContact CD-O 3.49Å; K55-N76 WeakPolarHBondContact CE-O 3.41Å; N76-D78 PolarHBondContact O-N 2.85Å; N76-C79 PolarHBondContact O-N 3.35Å; N76-L84 HydrophobicContact CB-CD2 4.33Å; N76-C85 PolarHBondContact OD1-N 3.23Å
77Q94.3Very high87.8Confident2 Ų251.9 Ų51.91%0.00927%0.273CS..G310 helixtrans-66.3-23.9178.8-56.7172.9-91.500113.4C6 P8 Y12 A49 V51 V75 C79C6-Q77 HydrophobicContact CB-CB 4.34Å; C6-Q77 PolarHBondContact O-NE2 3.19Å; P8-Q77 VanDerWaalsContact N-NE2 3.15Å; Y12-Q77 WeakPolarHBondContact OH-CA 3.25Å; A49-Q77 VanDerWaalsContact CB-CD 3.49Å; A49-Q77 HydrophobicContact CB-CG 4.35Å; V51-Q77 HydrophobicContact CG1-CG 3.82Å; V51-Q77 HydrophobicContact CG2-CG 4.2Å; V75-Q77 HydrophobicContact CG2-CB 4.05Å; V75-Q77 HydrophobicContact CG2-CG 4.45Å; V75-Q77 PolarHBondContact O-N 3.46Å; Q77-C79 PolarHBondContact O-N 2.88Å
78D93.5Very high88.8Confident10 Ų1052.1 Ų52.15%0.05328%0.275CS..G310 helixtrans-75.1-16.9179.8-61.1-17.3000111.4C6 R31 P34 C73 K74 V75 N76C6-D78 PolarHBondContact N-OD1 3.34Å; C6-D78 PolarHBondContact SG-OD1 2.73Å; R31-D78 IonicContact CZ-OD1 3.5Å; R31-D78 IonicContact CZ-OD2 3.29Å; R31-D78 IonicContact NH1-OD1 3.07Å; R31-D78 PolarHBondContact NH1-OD1 3.42Å; R31-D78 IonicContact NH1-OD2 3.62Å; R31-D78 PolarHBondContact NH1-OD2 2.88Å; R31-D78 IonicContact NH2-OD1 3.96Å; R31-D78 PolarHBondContact NH2-OD1 3.26Å; R31-D78 IonicContact NH2-OD2 3.62Å; R31-D78 PolarHBondContact NH2-OD2 3Å; P34-D78 WeakPolarHBondContact CD-O 3.41Å; C73-D78 HydrophobicContact CB-CB 3.73Å; K74-D78 PolarHBondContact N-OD2 2.95Å; V75-D78 PolarHBondContact N-OD2 3.07Å; V75-D78 WeakPolarHBondContact O-CB 3.23Å; V75-D78 PolarHBondContact O-N 2.97Å; N76-D78 PolarHBondContact O-N 2.85Å
79C94.3Very high90.1Very high0 Ų049.4 Ų49.40%026%0.263CS..SBendtrans-92.3141.5-175.8-63.90000112.3K55 N76 Q77 D83 C90K55-C79 VanDerWaalsContact CE-O 3.25Å; K55-C79 WeakPolarHBondContact CE-O 3.35Å; K55-C79 PolarHBondContact NZ-O 2.89Å; N76-C79 PolarHBondContact O-N 3.35Å; Q77-C79 PolarHBondContact O-N 2.88Å; C79-D83 HydrophobicContact CB-CB 3.88Å; C79-D83 WeakPolarHBondContact CB-O 3.06Å; C79-C90 WeakPolarHBondContact CA-SG 2.97Å; C79-C90 HydrophobicContact CB-CB 3.75Å; C79-C90 WeakPolarHBondContact CB-SG 3.04Å; C79-C90 WeakPolarHBondContact SG-CA 3.49Å; C79-C90 WeakPolarHBondContact SG-CB 3.44Å; C79-C90 CovalentContact SG-SG 2.04Å; C79-C90 PolarHBondContact SG-SG 2.88Å
80P93.8Very high91.2Very high32 Ų3243.3 Ų43.321%0.20823%0.232CC..SBendtrans-70.4171.7175.731.7-36.5000112I15 P34 K55 K82 D83I15-P80 HydrophobicContact CD1-CB 3.78Å; I15-P80 HydrophobicContact CG1-CB 3.53Å; I15-P80 HydrophobicContact CG1-CG 4.22Å; P34-P80 HydrophobicContact CB-CB 4.13Å; K55-P80 PolarHBondContact NZ-O 2.94Å; P80-K82 PolarHBondContact O-N 3.49Å; P80-D83 WeakPolarHBondContact O-CB 3.46Å; P80-D83 PolarHBondContact O-N 2.8Å; P80-D83 VanDerWaalsContact O-N 3.1Å
81A93.7Very high92Very high17 Ų1743.7 Ų43.714%0.1423%0.232CC..THydrogen-bonded Turntrans44.2-131.1172.900000113.8Y12 K13 E14 K55Y12-A81 WeakPolarHBondContact CB-O 3.48Å; K13-A81 WeakPolarHBondContact O-CA 3.31Å; K13-A81 PolarHBondContact O-N 3.19Å; E14-A81 HydrophobicContact CG-CB 4.21Å; K55-A81 PolarHBondContact NZ-O 2.03Å
82K94.1Very high92.6Very high145 Ų14545.1 Ų45.163%0.6324%0.236SC*.THydrogen-bonded Turntrans-92.62.7178-65.9-173.7177.3-176.50113.7P80 P93P80-K82 PolarHBondContact O-N 3.49Å; K82-P93 WeakPolarHBondContact O-CD 3.1Å; K82-P93 WeakPolarHBondContact O-CG 3.49Å
83D94.7Very high93.1Very high37 Ų3741.7 Ų41.720%0.19822%0.219CC..  trans-66143.8-173.4-69.7-2.1000111.3K55 C79 P80 C90 V91K55-D83 PolarHBondContact NZ-O 2.78Å; C79-D83 HydrophobicContact CB-CB 3.88Å; C79-D83 WeakPolarHBondContact CB-O 3.06Å; P80-D83 WeakPolarHBondContact O-CB 3.46Å; P80-D83 PolarHBondContact O-N 2.8Å; P80-D83 VanDerWaalsContact O-N 3.1Å; D83-C90 HydrophobicContact CB-CB 4.26Å; D83-V91 VanDerWaalsContact CA-O 3.32Å; D83-V91 WeakPolarHBondContact CA-O 3.26Å
84L94.5Very high93.1Very high8 Ų846 Ų464%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-103150.4174.9-62.2-175.6000110K55 N76 C86 C90 V91 P93K55-L84 HydrophobicContact CB-CD2 3.72Å; N76-L84 HydrophobicContact CB-CD2 4.33Å; L84-C86 PolarHBondContact O-N 2.75Å; L84-C90 WeakPolarHBondContact O-CA 3.45Å; L84-V91 PolarHBondContact N-O 3.14Å; L84-V91 PolarHBondContact O-N 2.93Å; L84-P93 HydrophobicContact CD1-CB 3.7Å; L84-P93 HydrophobicContact CG-CB 3.89Å; L84-P93 HydrophobicContact CG-CG 4.3Å
85C94.3Very high93.1Very high19 Ų1946.6 Ų46.613%0.12826%0.255CS..EExtended strand (participates in β ladder)trans-84.9103.3172.3-172.60000109.7C73 V75 N76C73-C85 HydrophobicContact CB-CB 3.72Å; C73-C85 WeakPolarHBondContact CB-SG 3.03Å; C73-C85 PolarHBondContact O-SG 3.47Å; C73-C85 VanDerWaalsContact O-SG 3.37Å; C73-C85 WeakPolarHBondContact SG-CA 3.4Å; C73-C85 WeakPolarHBondContact SG-CB 3.34Å; C73-C85 CovalentContact SG-SG 2.03Å; C73-C85 PolarHBondContact SG-SG 3.3Å; V75-C85 WeakPolarHBondContact O-CB 3.32Å; N76-C85 PolarHBondContact OD1-N 3.23Å
86C92.9Very high92.7Very high4 Ų452 Ų523%0.02727%0.274CS..EExtended strand (participates in β ladder)trans-119.2114.8-176.5-55.70000109.1C59 V62 L84 A88 K89 V91C59-C86 WeakPolarHBondContact CA-SG 3.36Å; C59-C86 HydrophobicContact CB-CB 3.75Å; C59-C86 WeakPolarHBondContact CB-SG 3.4Å; C59-C86 WeakPolarHBondContact SG-CB 3.33Å; C59-C86 CovalentContact SG-SG 2.03Å; C59-C86 PolarHBondContact SG-SG 3.46Å; V62-C86 HydrophobicContact CG2-CB 3.98Å; L84-C86 PolarHBondContact O-N 2.75Å; C86-A88 VanDerWaalsContact C-N 3.27Å; C86-A88 PolarHBondContact O-N 2.86Å; C86-K89 PolarHBondContact N-O 3.45Å; C86-K89 PolarHBondContact O-N 2.85Å; C86-K89 VanDerWaalsContact O-N 3.08Å; C86-V91 HydrophobicContact CB-CG2 3.54Å; C86-V91 WeakPolarHBondContact SG-CG2 2.84Å
87Q90Very high92.2Very high109 Ų10958 Ų5851%0.50929%0.292SS..THydrogen-bonded Turntrans5147.2-176.7-58.9177.21.900112.4V62 A67 K89V62-Q87 HydrophobicContact CB-CG 4.47Å; V62-Q87 PolarHBondContact O-OE1 3.44Å; A67-Q87 HydrophobicContact CB-CB 4.17Å; A67-Q87 VanDerWaalsContact CB-OE1 3.23Å; Q87-K89 PolarHBondContact O-N 2.85Å
88A90.2Very high91.8Very high35 Ų3561.7 Ų61.729%0.28932%0.316SS..THydrogen-bonded Turntrans63.916.1-178.900000116.5A70 D72 C73 C86A70-A88 CarbonylContact C-O 3.53Å; A70-A88 HydrophobicContact CB-CB 4.22Å; A70-A88 WeakPolarHBondContact O-CB 3.41Å; D72-A88 PolarHBondContact N-O 2.72Å; C73-A88 PolarHBondContact N-O 3.07Å; C73-A88 VanDerWaalsContact O-CA 3.26Å; C73-A88 WeakPolarHBondContact O-CA 3.16Å; C73-A88 WeakPolarHBondContact O-CB 3.46Å; C86-A88 VanDerWaalsContact C-N 3.27Å; C86-A88 PolarHBondContact O-N 2.86Å
89K90.6Very high91.5Very high74 Ų7465.6 Ų65.632%0.32234%0.342SS..EExtended strand (participates in β ladder)trans-120138.2173-170.3166.6-171171.60111.5I66 A70 C73 C86 Q87 V91I66-K89 HydrophobicContact CG2-CD 3.35Å; A70-K89 HydrophobicContact CB-CB 3.94Å; C73-K89 PolarHBondContact SG-N 3Å; C86-K89 PolarHBondContact N-O 3.45Å; C86-K89 PolarHBondContact O-N 2.85Å; C86-K89 VanDerWaalsContact O-N 3.08Å; Q87-K89 PolarHBondContact O-N 2.85Å; K89-V91 HydrophobicContact CB-CG1 4.29Å; K89-V91 HydrophobicContact CD-CG1 4.3Å; K89-V91 HydrophobicContact CG-CG1 3.98Å; K89-V91 PolarHBondContact O-N 3.11Å
90C92.6Very high91.3Very high29 Ų2970.5 Ų70.520%0.19637%0.374CS..EExtended strand (participates in β ladder)trans-75.3121.5168.9-64.70000110.1C79 D83 L84C79-C90 WeakPolarHBondContact CA-SG 2.97Å; C79-C90 HydrophobicContact CB-CB 3.75Å; C79-C90 WeakPolarHBondContact CB-SG 3.04Å; C79-C90 WeakPolarHBondContact SG-CA 3.49Å; C79-C90 WeakPolarHBondContact SG-CB 3.44Å; C79-C90 CovalentContact SG-SG 2.04Å; C79-C90 PolarHBondContact SG-SG 2.88Å; D83-C90 HydrophobicContact CB-CB 4.26Å; L84-C90 WeakPolarHBondContact O-CA 3.45Å
91V92.7Very high91.2Very high24 Ų2470.2 Ų70.215%0.14537%0.369CS..EExtended strand (participates in β ladder)trans-136.7148.9-178.2-59.90000110.9P60 D83 L84 C86 K89P60-V91 HydrophobicContact CG-CB 4.3Å; P60-V91 HydrophobicContact CG-CG2 3.79Å; D83-V91 VanDerWaalsContact CA-O 3.32Å; D83-V91 WeakPolarHBondContact CA-O 3.26Å; L84-V91 PolarHBondContact N-O 3.14Å; L84-V91 PolarHBondContact O-N 2.93Å; C86-V91 HydrophobicContact CB-CG2 3.54Å; C86-V91 WeakPolarHBondContact SG-CG2 2.84Å; K89-V91 HydrophobicContact CB-CG1 4.29Å; K89-V91 HydrophobicContact CD-CG1 4.3Å; K89-V91 HydrophobicContact CG-CG1 3.98Å; K89-V91 PolarHBondContact O-N 3.11Å
92L92.9Very high91Very high129 Ų12974.4 Ų74.468%0.67540%0.395SS*.PPolyproline II helixtrans-63.7125.6172.8-171.373.4000109.3
93P94.1Very high90.8Very high22 Ų2268.4 Ų68.414%0.14337%0.374CS..PPolyproline II helixtrans-69.4151.6-178.725.7-33.3000112.7D56 K82 L84D56-P93 WeakPolarHBondContact O-CG 3.16Å; K82-P93 WeakPolarHBondContact O-CD 3.1Å; K82-P93 WeakPolarHBondContact O-CG 3.49Å; L84-P93 HydrophobicContact CD1-CB 3.7Å; L84-P93 HydrophobicContact CG-CB 3.89Å; L84-P93 HydrophobicContact CG-CG 4.3Å
94L93Very high90.4Very high91 Ų9171.5 Ų71.548%0.47638%0.384SS..BIsolated β-bridgetrans-75.1147.9161.5-63.2178000109.4G57 E58 P60 R96G57-L94 CarbonylContact C-O 3.53Å; G57-L94 WeakPolarHBondContact CA-O 3.12Å; E58-L94 PolarHBondContact N-O 3.39Å; E58-L94 PolarHBondContact O-N 2.65Å; P60-L94 HydrophobicContact CB-CD1 4.05Å; P60-L94 HydrophobicContact CB-CD2 4.44Å; P60-L94 HydrophobicContact CB-CG 3.95Å; L94-R96 PolarHBondContact O-N 2.93Å
95P89.7Confident90.1Very high113 Ų11373 Ų7373%0.73440%0.395SS*.PPolyproline II helixtrans-53.5140.5168.6-2333.2000110.6R97P95-R97 PolarHBondContact O-N 2.82Å
96R86.5Confident89.3Confident133 Ų13377.8 Ų77.850%0.50242%0.417SS..PPolyproline II helixtrans-57.5136.9173.6-73.7-165.8174.3152.315.1109.7D56 L94D56-R96 WeakPolarHBondContact OD1-CD 3.19Å; D56-R96 IonicContact OD1-CZ 2.83Å; D56-R96 IonicContact OD1-NE 3.63Å; D56-R96 PolarHBondContact OD1-NE 3.15Å; D56-R96 IonicContact OD1-NH1 3.35Å; D56-R96 PolarHBondContact OD1-NH1 2.93Å; D56-R96 IonicContact OD1-NH2 3.15Å; D56-R96 PolarHBondContact OD1-NH2 3.34Å; D56-R96 VanDerWaalsContact OD1-NH2 3.15Å; L94-R96 PolarHBondContact O-N 2.93Å
97R84Confident88.2Confident186 Ų18682.4 Ų82.470%0.70244%0.439SS*.PPolyproline II helixtrans-65.8137.4172.9-75.4178.3-74.1167.4-3.6108.9E58 P95E58-R97 PolarHBondContact OE1-N 3.35Å; E58-R97 IonicContact OE1-NE 2.93Å; E58-R97 IonicContact OE2-CZ 3Å; E58-R97 IonicContact OE2-NE 3.81Å; E58-R97 PolarHBondContact OE2-NE 3.37Å; E58-R97 IonicContact OE2-NH2 2.82Å; E58-R97 PolarHBondContact OE2-NH2 3.27Å; P95-R97 PolarHBondContact O-N 2.82Å
98P85.7Confident86.9Confident78 Ų7879.1 Ų79.151%0.50643%0.428SS..PPolyproline II helixtrans-54.2144173.8-27.836.5000111.2Y123P98-Y123 HydrophobicContact CB-CD1 4.43Å; P98-Y123 HydrophobicContact CB-CD2 3.76Å; P98-Y123 HydrophobicContact CB-CE1 3.94Å; P98-Y123 HydrophobicContact CB-CE2 3.23Å; P98-Y123 HydrophobicContact CB-CG 4.33Å; P98-Y123 WeakPolarHBondContact CB-OH 3.35Å; P98-Y123 HydrophobicContact CG-CD2 4.31Å; P98-Y123 HydrophobicContact CG-CE2 4.23Å
99P87.7Confident85.3Confident93 Ų9383.4 Ų83.460%0.60445%0.45SS*.PPolyproline II helixtrans-61.3149.8179.527.2-34.9000110.7Y123P99-Y123 WeakPolarHBondContact O-CE2 3.29Å; P99-Y123 PolarHBondContact O-OH 3.48Å
100P89Confident83.8Confident103 Ų10383.4 Ų83.467%0.66946%0.456SS*.PPolyproline II helixtrans-58.3144.8176.225.5-33.7000110.8
101K92.6Very high82.1Confident26 Ų2690.5 Ų90.511%0.11348%0.484CS..PPolyproline II helixtrans-62.5150.5173.8-72.7-179.1-167.4173.20110.4D122 C125 G127 R129 K130K101-D122 HydrophobicContact CB-CB 4.15Å; K101-D122 HydrophobicContact CD-CB 3.93Å; K101-D122 WeakPolarHBondContact CE-O 3.37Å; K101-D122 HydrophobicContact CG-CB 3.81Å; K101-D122 PolarHBondContact N-OD2 3.13Å; K101-D122 PolarHBondContact NZ-O 2.03Å; K101-C125 PolarHBondContact NZ-O 2.89Å; K101-G127 WeakPolarHBondContact CE-O 3.4Å; K101-G127 PolarHBondContact NZ-O 3.33Å; K101-R129 VanDerWaalsContact CD-O 3.28Å; K101-R129 WeakPolarHBondContact CD-O 3.35Å; K101-R129 PolarHBondContact NZ-O 3.35Å; K101-K130 HydrophobicContact CB-CG 4.06Å; K101-K130 PolarHBondContact O-NZ 2.93Å
102P90.5Very high80.2Confident104 Ų10493 Ų9368%0.67550%0.501SS*.SBendtrans-56.5151.4-179.4-25.534.6000114.1P143P102-P143 WeakPolarHBondContact O-CB 3.37Å
103G88.6Confident78.4Confident19 Ų1993.1 Ų93.120%0.19651%0.507CS..SBendtrans84.2-179.5179.900000113.4K130G103-K130 WeakPolarHBondContact O-CD 3.17Å; G103-K130 VanDerWaalsContact O-CE 3.26Å; G103-K130 WeakPolarHBondContact O-CE 3.41Å
104Y86.7Confident76.4Confident102 Ų102101.8 Ų101.840%0.454%0.542SS..BIsolated β-bridgetrans-117.8155.2-169.6-58-82.5000112.2P143 T144 V147Y104-P143 CarbonylContact O-C 3.58Å; Y104-P143 WeakPolarHBondContact O-CA 3.28Å; Y104-T144 WeakPolarHBondContact CD2-O 3.47Å; Y104-T144 PolarHBondContact N-O 2.76Å; Y104-T144 WeakPolarHBondContact O-CG2 3.39Å; Y104-T144 PolarHBondContact O-N 3.01Å; Y104-V147 HydrophobicContact CD1-CG2 3.81Å; Y104-V147 HydrophobicContact CD2-CG2 3.47Å; Y104-V147 VanDerWaalsContact CD2-CG2 3.47Å; Y104-V147 HydrophobicContact CE2-CG2 4.22Å; Y104-V147 HydrophobicContact CG-CG2 3.22Å
105C87.1Confident74.9Confident41 Ų41103.6 Ų103.628%0.27755%0.55SS..PPolyproline II helixtrans-75.8139.9166-64.70000109.6C132C105-C132 WeakPolarHBondContact CA-SG 2.99Å; C105-C132 HydrophobicContact CB-CB 3.58Å; C105-C132 WeakPolarHBondContact CB-SG 3.43Å; C105-C132 WeakPolarHBondContact SG-CA 3.28Å; C105-C132 WeakPolarHBondContact SG-CB 3.01Å; C105-C132 CovalentContact SG-SG 2.03Å; C105-C132 PolarHBondContact SG-SG 2.03Å
106I78.9Confident73.6Confident118 Ų118106.4 Ų106.461%0.60556%0.555SS**PPolyproline II helixtrans-66.7135.1169.6-62172.7000107.9S108 T144I106-S108 PolarHBondContact O-N 3Å; I106-S108 VanDerWaalsContact O-N 3.14Å; I106-T144 HydrophobicContact CG1-CG2 3.63Å
107H68.9Low72.8Confident102 Ų102102.9 Ų102.947%0.47255%0.549SS..PPolyproline II helixtrans-61.9116.7175.4-83.9-89000110.5V147 F149H107-V147 WeakPolarHBondContact CD2-CG1 3.48Å; H107-V147 WeakPolarHBondContact NE2-CG1 2.99Å; H107-F149 AromaticContact CD2-CE1 3.94Å; H107-F149 AromaticContact CE1-CD1 3.57Å; H107-F149 AromaticContact CE1-CE1 3.15Å; H107-F149 WeakPolarHBondContact CE1-CE1 3.44Å; H107-F149 AromaticContact CE1-CZ 3.97Å; H107-F149 AromaticContact NE2-CD1 3.46Å; H107-F149 WeakPolarHBondContact NE2-CD1 3.46Å; H107-F149 AromaticContact NE2-CE1 2.91Å; H107-F149 WeakPolarHBondContact NE2-CE1 3.48Å; H107-F149 AromaticContact NE2-CZ 3.28Å; H107-F149 VanDerWaalsContact NE2-CZ 3.28Å; H107-F149 WeakPolarHBondContact NE2-CZ 3.46Å
108S62.1Low72.8Confident40 Ų40100 Ų10028%0.2855%0.546SS..PPolyproline II helixtrans-96.3125.3162.5-174.90000108.8I106 V110 W133I106-S108 PolarHBondContact O-N 3Å; I106-S108 VanDerWaalsContact O-N 3.14Å; S108-V110 PolarHBondContact O-N 2.74Å; S108-W133 WeakPolarHBondContact CB-O 3.26Å
109T57.9Low72.9Confident124 Ų12496.4 Ų96.476%0.76152%0.522SS*.  trans-79.8-2.6178.950.50000113.3
110V58Low73Confident74 Ų7498.7 Ų98.745%0.44852%0.524SS..  trans-93.5104.4-175.4-176.50000109.2S108 W133S108-V110 PolarHBondContact O-N 2.74Å; V110-W133 PolarHBondContact O-NE1 2.8Å
111F56.6Low73Confident178 Ų17897 Ų9778%0.78151%0.512SS*.  trans-69.2150.8178.7-74.8-85.6000113V113F111-V113 PolarHBondContact O-N 2.8Å
112P54.6Low73Confident78 Ų7896.6 Ų96.651%0.50651%0.511SS..  trans-60.2106.3179.5-11.817.7000112.8K114 W133P112-K114 VanDerWaalsContact C-N 3.27Å; P112-K114 PolarHBondContact O-N 3.5Å; P112-W133 VanDerWaalsContact CA-CH2 3.43Å; P112-W133 HydrophobicContact CB-CH2 3.17Å; P112-W133 HydrophobicContact CB-CZ2 3.53Å; P112-W133 HydrophobicContact CB-CZ3 3.92Å; P112-W133 VanDerWaalsContact CD-CZ2 3.45Å; P112-W133 HydrophobicContact CG-CD2 4.34Å; P112-W133 HydrophobicContact CG-CE3 4.24Å; P112-W133 HydrophobicContact CG-CH2 3.29Å; P112-W133 HydrophobicContact CG-CZ2 3.35Å; P112-W133 HydrophobicContact CG-CZ3 3.75Å; P112-W133 VanDerWaalsContact N-CZ2 3.29Å
113V55.2Low73Confident131 Ų13197.2 Ų97.279%0.79450%0.501SS*.SBendtrans-91.171.8155.5-104.20000107.5F111F111-V113 PolarHBondContact O-N 2.8Å
114K51.3Low73.2Confident204 Ų204100.5 Ų100.589%0.88751%0.514SS*.SBendtrans59.585162.9-154.3-176.6-165.8-176.70115P112P112-K114 VanDerWaalsContact C-N 3.27Å; P112-K114 PolarHBondContact O-N 3.5Å
115M60.7Low73.5Confident128 Ų12895.9 Ų95.963%0.63150%0.497SS*.  trans-137.6150.7171.8-67.9-128.1-168.800113.1G136 V137M115-G136 WeakPolarHBondContact CB-O 3.46Å; M115-G136 WeakPolarHBondContact CG-O 3.48Å; M115-V137 HydrophobicContact CB-CG1 3.83Å; M115-V137 HydrophobicContact CG-CG1 4.16Å; M115-V137 HydrophobicContact SD-CG1 3.63Å
116M62.9Low73.8Confident173 Ų173101.3 Ų101.385%0.85252%0.521SS*.  trans-68.6128.6176.1-71.4177.7-166.800110.3
117P70.4Confident74.4Confident58 Ų5898.5 Ų98.538%0.37752%0.522SS..  trans-69.1132.6176.327.1-32.3000111C119 M138P117-C119 VanDerWaalsContact C-N 3.33Å; P117-C119 WeakPolarHBondContact CB-O 3.4Å; P117-M138 HydrophobicContact CB-CB 3.85Å; P117-M138 HydrophobicContact CB-CG 4.12Å
118M82.7Confident75.5Confident127 Ų12798.3 Ų98.363%0.62652%0.524SS*.SBendtrans-80.4-19.6169.4-66-166.6-81.300112.1V137 M138 D139M118-V137 HydrophobicContact CE-CG2 4.09Å; M118-M138 WeakPolarHBondContact CB-O 3.48Å; M118-M138 PolarHBondContact N-O 3.29Å; M118-D139 HydrophobicContact CE-CB 3.8Å; M118-D139 WeakPolarHBondContact CE-OD1 3.44Å
119C89.5Confident76.9Confident1 Ų1101 Ų1011%0.00753%0.528CS..  trans-143.4152.4173.860.60000109.6P117 D124 C131 M138P117-C119 VanDerWaalsContact C-N 3.33Å; P117-C119 WeakPolarHBondContact CB-O 3.4Å; C119-D124 HydrophobicContact CB-CB 3.93Å; C119-C131 HydrophobicContact CB-CB 3.76Å; C119-C131 WeakPolarHBondContact CB-SG 3.36Å; C119-C131 PolarHBondContact O-SG 3.16Å; C119-C131 WeakPolarHBondContact SG-CA 2.99Å; C119-C131 WeakPolarHBondContact SG-CB 3.42Å; C119-C131 CovalentContact SG-SG 2.03Å; C119-C131 PolarHBondContact SG-SG 2.7Å; C119-M138 WeakPolarHBondContact O-CB 3.35Å
120H87.8Confident78.6Confident142 Ų14295.9 Ų95.966%0.65750%0.495SS*.SBendtrans-110.3-30.5176.2-65.465.1000111.5D124H120-D124 WeakPolarHBondContact CA-OD2 3.45Å; H120-D124 PolarHBondContact N-OD2 2.88Å
121T89.6Confident80.2Confident66 Ų6692.9 Ų92.941%0.40548%0.477SS..SBendtrans-138.1160.8-179.5750000110.6Y123 D124 C131T121-Y123 PolarHBondContact O-N 2.03Å; T121-Y123 PolarHBondContact OG1-N 2.65Å; T121-D124 PolarHBondContact N-OD2 3.07Å; T121-D124 WeakPolarHBondContact O-CB 3.33Å; T121-D124 PolarHBondContact O-N 3.04Å; T121-D124 PolarHBondContact OG1-OD2 2.88Å; T121-C131 VanDerWaalsContact O-CB 3.26Å; T121-C131 WeakPolarHBondContact O-CB 2.99Å
122D92.9Very high81.7Confident18 Ų1884.5 Ų84.510%0.09644%0.441CS..G310 helixtrans-53.8-27.4173.4-70.9-14.4000112.8K101 D124 C125 K130 C131K101-D122 HydrophobicContact CB-CB 4.15Å; K101-D122 HydrophobicContact CD-CB 3.93Å; K101-D122 WeakPolarHBondContact CE-O 3.37Å; K101-D122 HydrophobicContact CG-CB 3.81Å; K101-D122 PolarHBondContact N-OD2 3.13Å; K101-D122 PolarHBondContact NZ-O 2.03Å; D122-D124 VanDerWaalsContact C-N 3.3Å; D122-D124 PolarHBondContact O-N 2.77Å; D122-C125 WeakPolarHBondContact O-CB 3.26Å; D122-C125 PolarHBondContact O-N 3.27Å; D122-C125 VanDerWaalsContact O-N 3.13Å; D122-K130 VanDerWaalsContact OD1-CA 3.3Å; D122-K130 WeakPolarHBondContact OD1-CA 3.01Å; D122-K130 WeakPolarHBondContact OD1-CB 3.43Å; D122-K130 IonicContact OD1-NZ 3.77Å; D122-K130 IonicContact OD2-NZ 2.7Å; D122-K130 PolarHBondContact OD2-NZ 3.05Å; D122-C131 PolarHBondContact OD1-N 2.84Å
123Y91.2Very high83.1Confident117 Ų11783.5 Ų83.546%0.45943%0.427SS..G310 helixtrans-80.2-11.1-176.4-67.9-91.4000113.8P98 P99 T121P98-Y123 HydrophobicContact CB-CD1 4.43Å; P98-Y123 HydrophobicContact CB-CD2 3.76Å; P98-Y123 HydrophobicContact CB-CE1 3.94Å; P98-Y123 HydrophobicContact CB-CE2 3.23Å; P98-Y123 HydrophobicContact CB-CG 4.33Å; P98-Y123 WeakPolarHBondContact CB-OH 3.35Å; P98-Y123 HydrophobicContact CG-CD2 4.31Å; P98-Y123 HydrophobicContact CG-CE2 4.23Å; P99-Y123 WeakPolarHBondContact O-CE2 3.29Å; P99-Y123 PolarHBondContact O-OH 3.48Å; T121-Y123 PolarHBondContact O-N 2.03Å; T121-Y123 PolarHBondContact OG1-N 2.65Å
124D91.8Very high84.2Confident88 Ų8879 Ų7947%0.47140%0.401SS..G310 helixtrans-75.2-18.9167-54.8-38000111C119 H120 T121 D122C119-D124 HydrophobicContact CB-CB 3.93Å; H120-D124 WeakPolarHBondContact CA-OD2 3.45Å; H120-D124 PolarHBondContact N-OD2 2.88Å; T121-D124 PolarHBondContact N-OD2 3.07Å; T121-D124 WeakPolarHBondContact O-CB 3.33Å; T121-D124 PolarHBondContact O-N 3.04Å; T121-D124 PolarHBondContact OG1-OD2 2.88Å; D122-D124 VanDerWaalsContact C-N 3.3Å; D122-D124 PolarHBondContact O-N 2.77Å
125C92.9Very high85.2Confident6 Ų673.9 Ų73.94%0.04139%0.392CS..SBendtrans-90.9136.4180-570000111.7K101 D122 R129 C140K101-C125 PolarHBondContact NZ-O 2.89Å; D122-C125 WeakPolarHBondContact O-CB 3.26Å; D122-C125 PolarHBondContact O-N 3.27Å; D122-C125 VanDerWaalsContact O-N 3.13Å; C125-R129 HydrophobicContact CB-CB 3.85Å; C125-R129 VanDerWaalsContact CB-O 3.29Å; C125-R129 WeakPolarHBondContact CB-O 3.02Å; C125-C140 WeakPolarHBondContact CA-SG 3.49Å; C125-C140 HydrophobicContact CB-CB 3.64Å; C125-C140 WeakPolarHBondContact CB-SG 3.33Å; C125-C140 WeakPolarHBondContact SG-CA 3.26Å; C125-C140 WeakPolarHBondContact SG-CB 2.99Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.01Å
126I93Very high85.7Confident154 Ų15468.3 Ų68.379%0.7937%0.367SS*.SBendtrans-72.1137.7178.6-59.6174.1000110.4
127G92.9Very high86.4Confident60 Ų6061.3 Ų61.362%0.61933%0.334SS*.THydrogen-bonded Turntrans73.5-134.5173.400000113.4K101K101-G127 WeakPolarHBondContact CE-O 3.4Å; K101-G127 PolarHBondContact NZ-O 3.33Å
128D91.8Very high87.2Confident98 Ų9861.1 Ų61.152%0.52433%0.328SS..THydrogen-bonded Turntrans-87.9-3.9-179.358.2-12000113.9P143D128-P143 WeakPolarHBondContact O-CD 3.37Å
129R91.6Very high87.5Confident97 Ų9757.8 Ų57.837%0.36631%0.313SS..  trans-63.9141.1178.6-66.1175.5-179.4-115.83.2111.9K101 C125 C140 T141 F142K101-R129 VanDerWaalsContact CD-O 3.28Å; K101-R129 WeakPolarHBondContact CD-O 3.35Å; K101-R129 PolarHBondContact NZ-O 3.35Å; C125-R129 HydrophobicContact CB-CB 3.85Å; C125-R129 VanDerWaalsContact CB-O 3.29Å; C125-R129 WeakPolarHBondContact CB-O 3.02Å; R129-C140 HydrophobicContact CB-CB 4.39Å; R129-C140 PolarHBondContact NH1-O 3.26Å; R129-T141 CarbonylContact C-O 3.47Å; R129-T141 VanDerWaalsContact CA-O 3.28Å; R129-T141 WeakPolarHBondContact CA-O 3.28Å; R129-F142 HydrophobicContact CG-CD1 4.13Å; R129-F142 HydrophobicContact CG-CE1 4.1Å; R129-F142 VanDerWaalsContact NH2-CE2 3.29Å
130K93Very high87.6Confident15 Ų1559 Ų597%0.06532%0.322CS..EExtended strand (participates in β ladder)trans-103.6150.2176.5-68.9-178.667.5670110.7K101 G103 D122 C132 C140 T141 P143K101-K130 HydrophobicContact CB-CG 4.06Å; K101-K130 PolarHBondContact O-NZ 2.93Å; G103-K130 WeakPolarHBondContact O-CD 3.17Å; G103-K130 VanDerWaalsContact O-CE 3.26Å; G103-K130 WeakPolarHBondContact O-CE 3.41Å; D122-K130 VanDerWaalsContact OD1-CA 3.3Å; D122-K130 WeakPolarHBondContact OD1-CA 3.01Å; D122-K130 WeakPolarHBondContact OD1-CB 3.43Å; D122-K130 IonicContact OD1-NZ 3.77Å; D122-K130 IonicContact OD2-NZ 2.7Å; D122-K130 PolarHBondContact OD2-NZ 3.05Å; K130-C132 VanDerWaalsContact CB-SG 3.51Å; K130-C132 PolarHBondContact O-N 2.8Å; K130-C140 CarbonylContact O-C 3.58Å; K130-C140 WeakPolarHBondContact O-CA 3.3Å; K130-T141 PolarHBondContact N-O 2.97Å; K130-T141 PolarHBondContact O-N 2.83Å; K130-P143 HydrophobicContact CD-CB 3.75Å; K130-P143 HydrophobicContact CG-CB 4.22Å
131C91.4Very high87.7Confident11 Ų1153.7 Ų53.77%0.07430%0.299CS..EExtended strand (participates in β ladder)trans-83.899.1172.8-176.60000108.6C119 T121 D122 M138C119-C131 HydrophobicContact CB-CB 3.76Å; C119-C131 WeakPolarHBondContact CB-SG 3.36Å; C119-C131 PolarHBondContact O-SG 3.16Å; C119-C131 WeakPolarHBondContact SG-CA 2.99Å; C119-C131 WeakPolarHBondContact SG-CB 3.42Å; C119-C131 CovalentContact SG-SG 2.03Å; C119-C131 PolarHBondContact SG-SG 2.7Å; T121-C131 VanDerWaalsContact O-CB 3.26Å; T121-C131 WeakPolarHBondContact O-CB 2.99Å; D122-C131 PolarHBondContact OD1-N 2.84Å; C131-M138 HydrophobicContact CB-CE 4.49Å; C131-M138 WeakPolarHBondContact O-CE 3.44Å; C131-M138 WeakPolarHBondContact SG-CE 3.49Å
132C89.3Confident87.8Confident2 Ų256.1 Ų56.11%0.01430%0.304CS..EExtended strand (participates in β ladder)trans-117.6153-170.3-67.30000111C105 K130 S134 M138 D139 T141C105-C132 WeakPolarHBondContact CA-SG 2.99Å; C105-C132 HydrophobicContact CB-CB 3.58Å; C105-C132 WeakPolarHBondContact CB-SG 3.43Å; C105-C132 WeakPolarHBondContact SG-CA 3.28Å; C105-C132 WeakPolarHBondContact SG-CB 3.01Å; C105-C132 CovalentContact SG-SG 2.03Å; C105-C132 PolarHBondContact SG-SG 2.03Å; K130-C132 VanDerWaalsContact CB-SG 3.51Å; K130-C132 PolarHBondContact O-N 2.8Å; C132-S134 PolarHBondContact O-N 3.12Å; C132-M138 WeakPolarHBondContact O-CA 3.15Å; C132-D139 PolarHBondContact N-O 3.34Å; C132-D139 PolarHBondContact O-N 2.84Å; C132-D139 VanDerWaalsContact O-O 3.14Å; C132-T141 HydrophobicContact CB-CG2 4.42Å; C132-T141 VanDerWaalsContact CB-OG1 3.28Å; C132-T141 WeakPolarHBondContact CB-OG1 3.46Å; C132-T141 PolarHBondContact SG-OG1 3.37Å; C132-T141 VanDerWaalsContact SG-OG1 3.37Å
133W84.1Confident87.6Confident57 Ų5757.1 Ų57.122%0.21631%0.312CS..EExtended strand (participates in β ladder)trans-76.4114.1170.3-176.3-103.6000109.9S108 V110 P112 G136 V137 M138S108-W133 WeakPolarHBondContact CB-O 3.26Å; V110-W133 PolarHBondContact O-NE1 2.8Å; P112-W133 VanDerWaalsContact CA-CH2 3.43Å; P112-W133 HydrophobicContact CB-CH2 3.17Å; P112-W133 HydrophobicContact CB-CZ2 3.53Å; P112-W133 HydrophobicContact CB-CZ3 3.92Å; P112-W133 VanDerWaalsContact CD-CZ2 3.45Å; P112-W133 HydrophobicContact CG-CD2 4.34Å; P112-W133 HydrophobicContact CG-CE3 4.24Å; P112-W133 HydrophobicContact CG-CH2 3.29Å; P112-W133 HydrophobicContact CG-CZ2 3.35Å; P112-W133 HydrophobicContact CG-CZ3 3.75Å; P112-W133 VanDerWaalsContact N-CZ2 3.29Å; W133-G136 WeakPolarHBondContact CH2-O 3.28Å; W133-V137 VanDerWaalsContact CE3-C 3.45Å; W133-V137 VanDerWaalsContact CZ3-C 3.46Å; W133-M138 HydrophobicContact CB-SD 4.12Å; W133-M138 HydrophobicContact CE3-CG 3.99Å; W133-M138 HydrophobicContact CE3-SD 3.69Å; W133-M138 HydrophobicContact CZ3-CG 4.33Å
134S77.6Confident87.4Confident36 Ų3653 Ų5325%0.25230%0.299SS..EExtended strand (participates in β ladder)trans-140.4128.3-178.7-177.40000110.4C132 G136 V137C132-S134 PolarHBondContact O-N 3.12Å; S134-G136 PolarHBondContact O-N 3.43Å; S134-G136 VanDerWaalsContact O-N 3.12Å; S134-V137 PolarHBondContact N-O 2.85Å; S134-V137 VanDerWaalsContact O-CG2 3.26Å; S134-V137 WeakPolarHBondContact O-CG2 2.91Å; S134-V137 PolarHBondContact O-N 3.14Å; S134-V137 VanDerWaalsContact O-N 3.07Å; S134-V137 VanDerWaalsContact O-O 3.07Å
135S71.6Confident86.7Confident98 Ų9852.8 Ų52.869%0.68530%0.298SS*.THydrogen-bonded Turntrans53.636.3170.6-51.60000114.9
136G71.3Confident85.6Confident10 Ų1056.1 Ų56.110%0.10332%0.315CS..THydrogen-bonded Turntrans88.55177.900000115.5M115 W133 S134M115-G136 WeakPolarHBondContact CB-O 3.46Å; M115-G136 WeakPolarHBondContact CG-O 3.48Å; W133-G136 WeakPolarHBondContact CH2-O 3.28Å; S134-G136 PolarHBondContact O-N 3.43Å; S134-G136 VanDerWaalsContact O-N 3.12Å
137V78.7Confident84.3Confident27 Ų2749.2 Ų49.216%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-136.7161.7177.4-64.50000112M115 M118 W133 S134 D139M115-V137 HydrophobicContact CB-CG1 3.83Å; M115-V137 HydrophobicContact CG-CG1 4.16Å; M115-V137 HydrophobicContact SD-CG1 3.63Å; M118-V137 HydrophobicContact CE-CG2 4.09Å; W133-V137 VanDerWaalsContact CE3-C 3.45Å; W133-V137 VanDerWaalsContact CZ3-C 3.46Å; S134-V137 PolarHBondContact N-O 2.85Å; S134-V137 VanDerWaalsContact O-CG2 3.26Å; S134-V137 WeakPolarHBondContact O-CG2 2.91Å; S134-V137 PolarHBondContact O-N 3.14Å; S134-V137 VanDerWaalsContact O-N 3.07Å; S134-V137 VanDerWaalsContact O-O 3.07Å; V137-D139 HydrophobicContact CG2-CB 4.11Å
138M86.2Confident82.8Confident53 Ų5349.5 Ų49.526%0.26127%0.27SS..EExtended strand (participates in β ladder)trans-83.5117.3161.9-66.3-64.3-61.900108.4P117 M118 C119 C131 C132 W133P117-M138 HydrophobicContact CB-CB 3.85Å; P117-M138 HydrophobicContact CB-CG 4.12Å; M118-M138 WeakPolarHBondContact CB-O 3.48Å; M118-M138 PolarHBondContact N-O 3.29Å; C119-M138 WeakPolarHBondContact O-CB 3.35Å; C131-M138 HydrophobicContact CB-CE 4.49Å; C131-M138 WeakPolarHBondContact O-CE 3.44Å; C131-M138 WeakPolarHBondContact SG-CE 3.49Å; C132-M138 WeakPolarHBondContact O-CA 3.15Å; W133-M138 HydrophobicContact CB-SD 4.12Å; W133-M138 HydrophobicContact CE3-CG 3.99Å; W133-M138 HydrophobicContact CE3-SD 3.69Å; W133-M138 HydrophobicContact CZ3-CG 4.33Å
139D89.2Confident81.4Confident57 Ų5748.3 Ų48.331%0.30526%0.26SS..EExtended strand (participates in β ladder)trans-139.3157.5-176-167.216.8000112.1M118 C132 V137 T141M118-D139 HydrophobicContact CE-CB 3.8Å; M118-D139 WeakPolarHBondContact CE-OD1 3.44Å; C132-D139 PolarHBondContact N-O 3.34Å; C132-D139 PolarHBondContact O-N 2.84Å; C132-D139 VanDerWaalsContact O-O 3.14Å; V137-D139 HydrophobicContact CG2-CB 4.11Å; D139-T141 PolarHBondContact O-N 3.03Å
140C91.1Very high79.7Confident28 Ų2850.8 Ų50.819%0.18928%0.276CS..EExtended strand (participates in β ladder)trans-83.395.7-177.7-69.70000112.2C125 R129 K130C125-C140 WeakPolarHBondContact CA-SG 3.49Å; C125-C140 HydrophobicContact CB-CB 3.64Å; C125-C140 WeakPolarHBondContact CB-SG 3.33Å; C125-C140 WeakPolarHBondContact SG-CA 3.26Å; C125-C140 WeakPolarHBondContact SG-CB 2.99Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.01Å; R129-C140 HydrophobicContact CB-CB 4.39Å; R129-C140 PolarHBondContact NH1-O 3.26Å; K130-C140 CarbonylContact O-C 3.58Å; K130-C140 WeakPolarHBondContact O-CA 3.3Å
141T91Very high77.9Confident30 Ų3054.6 Ų54.618%0.18430%0.297CS..EExtended strand (participates in β ladder)trans-107.3158.6-177.868.60000112.3R129 K130 C132 D139R129-T141 CarbonylContact C-O 3.47Å; R129-T141 VanDerWaalsContact CA-O 3.28Å; R129-T141 WeakPolarHBondContact CA-O 3.28Å; K130-T141 PolarHBondContact N-O 2.97Å; K130-T141 PolarHBondContact O-N 2.83Å; C132-T141 HydrophobicContact CB-CG2 4.42Å; C132-T141 VanDerWaalsContact CB-OG1 3.28Å; C132-T141 WeakPolarHBondContact CB-OG1 3.46Å; C132-T141 PolarHBondContact SG-OG1 3.37Å; C132-T141 VanDerWaalsContact SG-OG1 3.37Å; D139-T141 PolarHBondContact O-N 3.03Å
142F90.6Very high76.1Confident116 Ų11660.7 Ų60.751%0.50932%0.322SS..  trans-68137.6169.2-73.6-73.6000110.2R129R129-F142 HydrophobicContact CG-CD1 4.13Å; R129-F142 HydrophobicContact CG-CE1 4.1Å; R129-F142 VanDerWaalsContact NH2-CE2 3.29Å
143P90.4Very high74.6Confident39 Ų3962.8 Ų62.825%0.25334%0.339SS..  trans-65.1154.3173.326.7-32.5000111.1P102 Y104 D128 K130P102-P143 WeakPolarHBondContact O-CB 3.37Å; Y104-P143 CarbonylContact O-C 3.58Å; Y104-P143 WeakPolarHBondContact O-CA 3.28Å; D128-P143 WeakPolarHBondContact O-CD 3.37Å; K130-P143 HydrophobicContact CD-CB 3.75Å; K130-P143 HydrophobicContact CG-CB 4.22Å
144T84.9Confident73.4Confident31 Ų3167.6 Ų67.619%0.1937%0.369CS..BIsolated β-bridgetrans-110.4143.8166.2176.90000109.8Y104 I106 N146Y104-T144 WeakPolarHBondContact CD2-O 3.47Å; Y104-T144 PolarHBondContact N-O 2.76Å; Y104-T144 WeakPolarHBondContact O-CG2 3.39Å; Y104-T144 PolarHBondContact O-N 3.01Å; I106-T144 HydrophobicContact CG1-CG2 3.63Å; T144-N146 VanDerWaalsContact C-N 3.27Å; T144-N146 WeakPolarHBondContact CG2-O 3.36Å; T144-N146 PolarHBondContact OG1-N 2.84Å; T144-N146 PolarHBondContact OG1-O 2.71Å
145D78.9Confident72.6Confident84 Ų8472.6 Ų72.645%0.44939%0.393SS..SBendtrans-85.2-6.5170-69.3-45000112.6K164D145-K164 HydrophobicContact CB-CB 4.45Å; D145-K164 PolarHBondContact O-N 3.04Å
146N69.8Low71.8Confident76 Ų7674.1 Ų74.141%0.40639%0.388SS..EExtended strand (participates in β ladder)trans-118.2123-179.8-61.6-27.8000110T144 F162 R163T144-N146 VanDerWaalsContact C-N 3.27Å; T144-N146 WeakPolarHBondContact CG2-O 3.36Å; T144-N146 PolarHBondContact OG1-N 2.84Å; T144-N146 PolarHBondContact OG1-O 2.71Å; N146-F162 VanDerWaalsContact CA-O 3.27Å; N146-F162 WeakPolarHBondContact CA-O 3.41Å; N146-R163 VanDerWaalsContact OD1-CG 3.32Å; N146-R163 WeakPolarHBondContact OD1-CG 3.41Å
147V65.6Low71Confident8 Ų878.9 Ų78.95%0.04841%0.406CS..EExtended strand (participates in β ladder)trans-113.6118.5172.5-1660000108.7Y104 H107 F149 S161 F162Y104-V147 HydrophobicContact CD1-CG2 3.81Å; Y104-V147 HydrophobicContact CD2-CG2 3.47Å; Y104-V147 VanDerWaalsContact CD2-CG2 3.47Å; Y104-V147 HydrophobicContact CE2-CG2 4.22Å; Y104-V147 HydrophobicContact CG-CG2 3.22Å; H107-V147 WeakPolarHBondContact CD2-CG1 3.48Å; H107-V147 WeakPolarHBondContact NE2-CG1 2.99Å; V147-F149 HydrophobicContact CB-CD2 4.45Å; V147-F149 HydrophobicContact CB-CE2 3.84Å; V147-F149 HydrophobicContact CB-CZ 4.48Å; V147-F149 HydrophobicContact CG1-CD2 3.86Å; V147-F149 HydrophobicContact CG1-CE1 4.37Å; V147-F149 HydrophobicContact CG1-CE2 3.27Å; V147-F149 HydrophobicContact CG1-CZ 3.57Å; V147-S161 CarbonylContact O-C 3.55Å; V147-S161 WeakPolarHBondContact O-CA 3.11Å; V147-F162 PolarHBondContact N-O 2.85Å; V147-F162 PolarHBondContact O-N 2.87Å
148T61.5Low69.8Low67 Ų6781.3 Ų81.341%0.41141%0.412SS..EExtended strand (participates in β ladder)trans-98.5124.1170.143.10000109.3E159 L160 S161T148-E159 HydrophobicContact CG2-CG 4.2Å; T148-E159 WeakPolarHBondContact CG2-OE1 3.24Å; T148-L160 CarbonylContact C-O 3.56Å; T148-L160 VanDerWaalsContact CA-O 3.24Å; T148-L160 WeakPolarHBondContact CA-O 3.47Å; T148-S161 WeakPolarHBondContact CG2-OG 3.35Å
149F61.7Low68.3Low73 Ų7382.8 Ų82.832%0.3242%0.419SS..EExtended strand (participates in β ladder)trans-109.2127.3169.3-60.6-100.1000108.4H107 V147 E159 L160 F162H107-F149 AromaticContact CD2-CE1 3.94Å; H107-F149 AromaticContact CE1-CD1 3.57Å; H107-F149 AromaticContact CE1-CE1 3.15Å; H107-F149 WeakPolarHBondContact CE1-CE1 3.44Å; H107-F149 AromaticContact CE1-CZ 3.97Å; H107-F149 AromaticContact NE2-CD1 3.46Å; H107-F149 WeakPolarHBondContact NE2-CD1 3.46Å; H107-F149 AromaticContact NE2-CE1 2.91Å; H107-F149 WeakPolarHBondContact NE2-CE1 3.48Å; H107-F149 AromaticContact NE2-CZ 3.28Å; H107-F149 VanDerWaalsContact NE2-CZ 3.28Å; H107-F149 WeakPolarHBondContact NE2-CZ 3.46Å; V147-F149 HydrophobicContact CB-CD2 4.45Å; V147-F149 HydrophobicContact CB-CE2 3.84Å; V147-F149 HydrophobicContact CB-CZ 4.48Å; V147-F149 HydrophobicContact CG1-CD2 3.86Å; V147-F149 HydrophobicContact CG1-CE1 4.37Å; V147-F149 HydrophobicContact CG1-CE2 3.27Å; V147-F149 HydrophobicContact CG1-CZ 3.57Å; F149-E159 WeakPolarHBondContact O-CA 3.34Å; F149-L160 HydrophobicContact CB-CB 4.38Å; F149-L160 PolarHBondContact N-O 2.86Å; F149-L160 PolarHBondContact O-N 3.16Å; F149-F162 AromaticContact CD2-CD2 3.7Å; F149-F162 HydrophobicContact CD2-CD2 3.7Å; F149-F162 AromaticContact CD2-CE2 3.62Å; F149-F162 HydrophobicContact CD2-CE2 3.62Å; F149-F162 AromaticContact CE2-CD2 3.56Å; F149-F162 HydrophobicContact CE2-CD2 3.56Å; F149-F162 AromaticContact CE2-CE2 3.65Å; F149-F162 HydrophobicContact CE2-CE2 3.65Å
150E56.5Low66.8Low149 Ų14981.4 Ų81.470%0.69641%0.411SS*.EExtended strand (participates in β ladder)trans-87.8107.7164-69.1-173.9160.500108.4Y158E150-Y158 CarbonylContact C-O 3.51Å; E150-Y158 WeakPolarHBondContact CA-O 3.22Å
151L55.1Low65.2Low95 Ų9581 Ų8150%0.49741%0.409SS..EExtended strand (participates in β ladder)trans-92.6127.3169-63.4-174000109Y158 L160L151-Y158 PolarHBondContact N-O 2.85Å; L151-Y158 PolarHBondContact O-N 3.02Å; L151-L160 HydrophobicContact CB-CD1 4.2Å; L151-L160 HydrophobicContact CD1-CD1 3.23Å; L151-L160 HydrophobicContact CG-CD1 3.51Å
152K52.6Low63.7Low138 Ų13882.5 Ų82.560%0.641%0.413SS*.EExtended strand (participates in β ladder)trans-96.1116.4167-169.8179.2179.5-176.90108.8K156 F157K152-K156 WeakPolarHBondContact CA-O 3.21Å; K152-F157 HydrophobicContact CB-CD1 4.38Å; K152-F157 HydrophobicContact CB-CE1 4.3Å; K152-F157 HydrophobicContact CD-CE1 4.07Å; K152-F157 HydrophobicContact CD-CZ 4.12Å; K152-F157 HydrophobicContact CG-CD1 4.47Å; K152-F157 HydrophobicContact CG-CE1 4.17Å; K152-F157 HydrophobicContact CG-CZ 4.48Å
153A58.4Low62.2Low47 Ų4783.4 Ų83.439%0.38841%0.413SS..EExtended strand (participates in β ladder)trans-134.2126.8170.300000108.7D155 K156 Y158A153-D155 PolarHBondContact O-N 2.9Å; A153-K156 PolarHBondContact N-O 2.84Å; A153-K156 WeakPolarHBondContact O-CB 3.32Å; A153-K156 PolarHBondContact O-N 3.03Å; A153-Y158 HydrophobicContact CB-CD2 4.42Å; A153-Y158 HydrophobicContact CB-CE2 4Å
154D57.9Low60.6Low157 Ų15787.2 Ų87.284%0.8443%0.425SS*.THydrogen-bonded Turntrans44.759.7175.4-59.8-23.9000114.3K156D154-K156 PolarHBondContact O-N 2.86Å
155D62.1Low58.9Low142 Ų14287.7 Ų87.776%0.75944%0.436SS*.THydrogen-bonded Turntrans58.211.8-178.6-67.8-34.2000116.5A153A153-D155 PolarHBondContact O-N 2.9Å
156K54.8Low57Low130 Ų13092.5 Ų92.557%0.56546%0.456SS*.EExtended strand (participates in β ladder)trans-109.7138.6172.7-65.6176.1-175.4175.10110.3K152 A153 D154 Y158K152-K156 WeakPolarHBondContact CA-O 3.21Å; A153-K156 PolarHBondContact N-O 2.84Å; A153-K156 WeakPolarHBondContact O-CB 3.32Å; A153-K156 PolarHBondContact O-N 3.03Å; D154-K156 PolarHBondContact O-N 2.86Å; K156-Y158 HydrophobicContact CB-CD2 4.34Å; K156-Y158 HydrophobicContact CB-CE2 3.55Å; K156-Y158 WeakPolarHBondContact CD-OH 3.27Å
157F54.8Low55.5Low110 Ų11093.1 Ų93.148%0.48247%0.466SS..EExtended strand (participates in β ladder)trans-97.1128.5170.6-65.2-87.4000108.5K152K152-F157 HydrophobicContact CB-CD1 4.38Å; K152-F157 HydrophobicContact CB-CE1 4.3Å; K152-F157 HydrophobicContact CD-CE1 4.07Å; K152-F157 HydrophobicContact CD-CZ 4.12Å; K152-F157 HydrophobicContact CG-CD1 4.47Å; K152-F157 HydrophobicContact CG-CE1 4.17Å; K152-F157 HydrophobicContact CG-CZ 4.48Å
158Y53.4Low53.9Low77 Ų77102.5 Ų102.530%0.30251%0.509SS..EExtended strand (participates in β ladder)trans-115124.4176.2-60.9-92.4000107.9E150 L151 A153 K156 T182E150-Y158 CarbonylContact C-O 3.51Å; E150-Y158 WeakPolarHBondContact CA-O 3.22Å; L151-Y158 PolarHBondContact N-O 2.85Å; L151-Y158 PolarHBondContact O-N 3.02Å; A153-Y158 HydrophobicContact CB-CD2 4.42Å; A153-Y158 HydrophobicContact CB-CE2 4Å; K156-Y158 HydrophobicContact CB-CD2 4.34Å; K156-Y158 HydrophobicContact CB-CE2 3.55Å; K156-Y158 WeakPolarHBondContact CD-OH 3.27Å; Y158-T182 HydrophobicContact CD1-CG2 4.23Å; Y158-T182 HydrophobicContact CE1-CG2 4.36Å
159E53.8Low52.5Low85 Ų85102.3 Ų102.340%0.39752%0.52SS..EExtended strand (participates in β ladder)trans-95.6113.6170.7-167.1-178.4175.300108.6T148 F149 S181T148-E159 HydrophobicContact CG2-CG 4.2Å; T148-E159 WeakPolarHBondContact CG2-OE1 3.24Å; F149-E159 WeakPolarHBondContact O-CA 3.34Å; E159-S181 PolarHBondContact O-N 2.97Å; E159-S181 VanDerWaalsContact O-N 3.13Å
160L58.4Low50.9Low27 Ų27107.1 Ų107.114%0.14155%0.549CS..EExtended strand (participates in β ladder)trans-100.9111.1173.2-76.5122.2000109.2T148 F149 L151 F162 V178 V180T148-L160 CarbonylContact C-O 3.56Å; T148-L160 VanDerWaalsContact CA-O 3.24Å; T148-L160 WeakPolarHBondContact CA-O 3.47Å; F149-L160 HydrophobicContact CB-CB 4.38Å; F149-L160 PolarHBondContact N-O 2.86Å; F149-L160 PolarHBondContact O-N 3.16Å; L151-L160 HydrophobicContact CB-CD1 4.2Å; L151-L160 HydrophobicContact CD1-CD1 3.23Å; L151-L160 HydrophobicContact CG-CD1 3.51Å; L160-F162 HydrophobicContact CB-CE2 4.17Å; L160-V178 HydrophobicContact CD2-CG1 3.63Å; L160-V180 HydrophobicContact CD2-CG2 3.81Å; L160-V180 HydrophobicContact CG-CG2 4.44Å
161S57.1Low49.7Very low20 Ų20107.4 Ų107.414%0.1455%0.551CS.*EExtended strand (participates in β ladder)trans-97.8118.6172-70.70000110.2V147 T148 L179V147-S161 CarbonylContact O-C 3.55Å; V147-S161 WeakPolarHBondContact O-CA 3.11Å; T148-S161 WeakPolarHBondContact CG2-OG 3.35Å; S161-L179 PolarHBondContact N-O 3.1Å; S161-L179 PolarHBondContact O-N 3.13Å
162F58.7Low48.4Very low61 Ų61114.6 Ų114.627%0.26857%0.573SS.*EExtended strand (participates in β ladder)trans-95.1125.6165.8-65.1-93000108.4N146 V147 F149 L160 V178N146-F162 VanDerWaalsContact CA-O 3.27Å; N146-F162 WeakPolarHBondContact CA-O 3.41Å; V147-F162 PolarHBondContact N-O 2.85Å; V147-F162 PolarHBondContact O-N 2.87Å; F149-F162 AromaticContact CD2-CD2 3.7Å; F149-F162 HydrophobicContact CD2-CD2 3.7Å; F149-F162 AromaticContact CD2-CE2 3.62Å; F149-F162 HydrophobicContact CD2-CE2 3.62Å; F149-F162 AromaticContact CE2-CD2 3.56Å; F149-F162 HydrophobicContact CE2-CD2 3.56Å; F149-F162 AromaticContact CE2-CE2 3.65Å; F149-F162 HydrophobicContact CE2-CE2 3.65Å; L160-F162 HydrophobicContact CB-CE2 4.17Å; F162-V178 HydrophobicContact CD1-CG2 3.91Å; F162-V178 HydrophobicContact CE1-CB 4.37Å; F162-V178 HydrophobicContact CE1-CG1 4.18Å; F162-V178 HydrophobicContact CE1-CG2 3.46Å; F162-V178 VanDerWaalsContact CE1-CG2 3.46Å; F162-V178 HydrophobicContact CZ-CG1 4.24Å; F162-V178 HydrophobicContact CZ-CG2 4.26Å
163R60.5Low47.4Very low135 Ų135111.2 Ų111.251%0.50956%0.564SS.*EExtended strand (participates in β ladder)trans-116.5139.4172.6-56.3-165.1176.9175.4-1109.4N146 G165N146-R163 VanDerWaalsContact OD1-CG 3.32Å; N146-R163 WeakPolarHBondContact OD1-CG 3.41Å; R163-G165 PolarHBondContact O-N 3.25Å
164K55.6Low46.3Very low119 Ų119114.9 Ų114.952%0.51758%0.584SS.*EExtended strand (participates in β ladder)trans-67.2115.7169.9-165.6172.7-178.7-178.90109.3D145D145-K164 HydrophobicContact CB-CB 4.45Å; D145-K164 PolarHBondContact O-N 3.04Å
165G49.5Very low45.2Very low41 Ų41113.9 Ų113.942%0.42357%0.574SS.*  trans-65132.117200000110.5R163 S167R163-G165 PolarHBondContact O-N 3.25Å; G165-S167 PolarHBondContact O-N 2.79Å
166H40.4Very low44.2Very low186 Ų186111.8 Ų111.886%0.86156%0.563SS**  trans-87100168-90.6-97.1000108.5
167S37.4Very low43.5Very low89 Ų89109.1 Ų109.162%0.62256%0.557SS**  trans-83.6110.2164.247.50000109.3G165 G169G165-S167 PolarHBondContact O-N 2.79Å; S167-G169 PolarHBondContact O-N 3.33Å
168Q32Very low43Very low205 Ų205107 Ų10796%0.95855%0.554SS**  trans-78.6110159-84.2-177-12.900107.7
169G32.2Very low42.4Very low62 Ų62107.2 Ų107.264%0.63956%0.559SS**SBendtrans105128.2165.400000115.2S167 E171S167-G169 PolarHBondContact O-N 3.33Å; G169-E171 PolarHBondContact O-N 3.22Å
170N29Very low42Very low174 Ų174107 Ų10793%0.9356%0.564SS**SBendtrans-11.675168-68.4-11000118.5
171E30Very low41.2Very low155 Ų155108.6 Ų108.672%0.72458%0.577SS**  trans-159.9127.1147.8-143.2159.9176.400109.5G169 T173G169-E171 PolarHBondContact O-N 3.22Å; E171-T173 PolarHBondContact O-N 3.48Å
172Y28.9Very low40.2Very low247 Ų247112.1 Ų112.197%0.96960%0.598SS**  trans-78.483.3179.7-131.7-90.6000108.1
173T30.6Very low39.1Very low67 Ų67116 Ų11641%0.41162%0.622SS.*  trans-103.1129.7169.257.70000109.8E171 E175E171-T173 PolarHBondContact O-N 3.48Å; T173-E175 PolarHBondContact O-N 2.9Å
174P35Very low38.2Very low123 Ų123117.6 Ų117.680%0.79963%0.632SS**  trans-79.367.1175.733.9-32.7000109.1N176P174-N176 VanDerWaalsContact C-N 3.33Å; P174-N176 PolarHBondContact O-N 2.96Å; P174-N176 VanDerWaalsContact O-N 3.1Å
175E36.1Very low37.2Very low136 Ų136119.1 Ų119.164%0.63664%0.644SS**  trans-8579.3174.4-70.5-170.8-168.600110.2T173 V177T173-E175 PolarHBondContact O-N 2.9Å; E175-V177 PolarHBondContact O-N 3.5Å
176N40.1Very low36.3Very low98 Ų98123 Ų12352%0.52466%0.655SS.*EExtended strand (participates in β ladder)trans-75.1100.7157.7-70.3-43.8000107.5P174 V178P174-N176 VanDerWaalsContact C-N 3.33Å; P174-N176 PolarHBondContact O-N 2.96Å; P174-N176 VanDerWaalsContact O-N 3.1Å; N176-V178 PolarHBondContact O-N 3.43Å; N176-V178 VanDerWaalsContact O-N 3.16Å
177V40.5Very low35.8Very low74 Ų74120.6 Ų120.645%0.44865%0.648SS.*EExtended strand (participates in β ladder)trans-72.1109.5171.3-179.30000108E175 L179E175-V177 PolarHBondContact O-N 3.5Å; V177-L179 HydrophobicContact CG1-CD2 4.41Å; V177-L179 HydrophobicContact CG1-CG 4.24Å; V177-L179 PolarHBondContact O-N 3.29Å
178V43.2Very low35.3Very low67 Ų67127.6 Ų127.641%0.40666%0.661SS.*EExtended strand (participates in β ladder)trans-86105171.3-171.40000107.9L160 F162 N176 V180L160-V178 HydrophobicContact CD2-CG1 3.63Å; F162-V178 HydrophobicContact CD1-CG2 3.91Å; F162-V178 HydrophobicContact CE1-CB 4.37Å; F162-V178 HydrophobicContact CE1-CG1 4.18Å; F162-V178 HydrophobicContact CE1-CG2 3.46Å; F162-V178 VanDerWaalsContact CE1-CG2 3.46Å; F162-V178 HydrophobicContact CZ-CG1 4.24Å; F162-V178 HydrophobicContact CZ-CG2 4.26Å; N176-V178 PolarHBondContact O-N 3.43Å; N176-V178 VanDerWaalsContact O-N 3.16Å; V178-V180 HydrophobicContact CG1-CG2 3.86Å; V178-V180 PolarHBondContact O-N 3.43Å
179L42.4Very low35.3Very low80 Ų80131.8 Ų131.842%0.41967%0.67SS.*EExtended strand (participates in β ladder)trans-86.4104.2167.8-71.6171.2000107.8S161 V177S161-L179 PolarHBondContact N-O 3.1Å; S161-L179 PolarHBondContact O-N 3.13Å; V177-L179 HydrophobicContact CG1-CD2 4.41Å; V177-L179 HydrophobicContact CG1-CG 4.24Å; V177-L179 PolarHBondContact O-N 3.29Å
180V43.7Very low35.4Very low82 Ų82135.3 Ų135.350%0.49767%0.672SS.*EExtended strand (participates in β ladder)trans-88104168.7-173.70000107.4L160 V178 T182L160-V180 HydrophobicContact CD2-CG2 3.81Å; L160-V180 HydrophobicContact CG-CG2 4.44Å; V178-V180 HydrophobicContact CG1-CG2 3.86Å; V178-V180 PolarHBondContact O-N 3.43Å; V180-T182 HydrophobicContact CG1-CG2 4.33Å
181S42.1Very low35.8Very low60 Ų60133.2 Ų133.242%0.4266%0.658SS.*EExtended strand (participates in β ladder)trans-93.8111.3172.6-176.50000108.8E159 N183E159-S181 PolarHBondContact O-N 2.97Å; E159-S181 VanDerWaalsContact O-N 3.13Å; S181-N183 PolarHBondContact O-N 3.31Å
182T37.3Very low36.1Very low94 Ų94132 Ų13258%0.57765%0.654SS**  trans-92.582.2170.756.90000108.7Y158 V180Y158-T182 HydrophobicContact CD1-CG2 4.23Å; Y158-T182 HydrophobicContact CE1-CG2 4.36Å; V180-T182 HydrophobicContact CG1-CG2 4.33Å
183N35.4Very low36.5Very low143 Ų143125.2 Ų125.277%0.76564%0.636SS**  trans-160.596.3169.1-101.8-40.2000113.3S181S181-N183 PolarHBondContact O-N 3.31Å
184K40.5Very low36.9Very low168 Ų168128.9 Ų128.973%0.7365%0.65SS**  -170.5106.8127.4-106.8175.3-177.8178.70109.5L186K184-L186 VanDerWaalsContact C-N 3.28Å; K184-L186 PolarHBondContact O-N 3.08Å
185I35.4Very low37Very low151 Ų151129.3 Ų129.377%0.77464%0.64SS**  trans-66.698.6152.4-61.4171.5000104.7N187I185-N187 VanDerWaalsContact C-N 3.27Å; I185-N187 PolarHBondContact O-N 3.04Å
186L31.2Very low37.1Very low122 Ų122128.8 Ų128.864%0.63964%0.64SS**  trans-70.995.2162-80.1164.4000105.8K184 W188K184-L186 VanDerWaalsContact C-N 3.28Å; K184-L186 PolarHBondContact O-N 3.08Å; L186-W188 PolarHBondContact O-N 3.04Å; L186-W188 VanDerWaalsContact O-N 3.08Å
187N29.4Very low36.8Very low135 Ų135131.2 Ų131.272%0.72265%0.649SS**  trans-56.4113.6163.5-85-23.8000107.1I185 Y189I185-N187 VanDerWaalsContact C-N 3.27Å; I185-N187 PolarHBondContact O-N 3.04Å; N187-Y189 PolarHBondContact O-N 3.49Å
188W26.5Very low36.5Very low237 Ų237135.9 Ų135.990%0.89867%0.666SS**  trans-70.5110.2164.1-67.984000107.6L186L186-W188 PolarHBondContact O-N 3.04Å; L186-W188 VanDerWaalsContact O-N 3.08Å
189Y31.4Very low35.9Very low292 Ų292142.2 Ų142.2100%1.14569%0.69SS**  trans-137.40154.5-91.1-78.6000108.1N187N187-Y189 PolarHBondContact O-N 3.49Å

Retrieved 189 of 189 residues in 79.3 ms (Link to these results)

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