A0A087YPP2_POEFO Loading...

Acidic leucine-rich nuclear phosphoprotein 32 family member

Histone chaperone that specifically mediates the genome-wide removal of histone H2A.Z/H2AZ1 from the nucleosome: removes H2A.Z/H2AZ1 from its normal sites of deposition, especially from enhancer and insulator regions. Not involved in deposition of H2A.Z/H2AZ1 in the nucleosome. May stabilize the evicted H2A.Z/H2AZ1-H2B dimer, thus shifting the equilibrium towards dissociation and the off-chromatin state. Inhibits activity of protein phosphatase 2A (PP2A). Does not inhibit protein phosphatase 1. May play a role in cerebellar development and synaptogenesis. Multifunctional protein that is involved in the regulation of many processes.

AlphaFold DB , UniProt , Accession A0A087YPP2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M81Confident86.7Confident127 Ų12772.4 Ų72.463%0.62635%0.351SS*.  01440177.6177-100.200108K5 R6 L9 R28M1-K5 HydrophobicContact CG-CB 4.24Å; M1-R6 HydrophobicContact SD-CB 4.18Å; M1-L9 HydrophobicContact CE-CD1 3.45Å; M1-L9 VanDerWaalsContact CE-CD1 3.45Å; M1-L9 HydrophobicContact SD-CD1 3.77Å; M1-R28 PolarHBondContact O-N 3.43Å
2E87.1Confident86.3Confident106 Ų10682.3 Ų82.350%0.49538%0.382SS..BIsolated β-bridgetrans-69.9141.5176.6-68173.7118.100111K4 K5 R6E2-K4 PolarHBondContact O-N 3.42Å; E2-K5 HydrophobicContact CB-CB 4.49Å; E2-K5 HydrophobicContact CB-CD 4.3Å; E2-K5 HydrophobicContact CB-CG 4.4Å; E2-K5 WeakPolarHBondContact O-CB 3.2Å; E2-K5 PolarHBondContact O-N 3.26Å; E2-K5 WeakPolarHBondContact OE2-CD 3.11Å; E2-K5 WeakPolarHBondContact OE2-CE 3.45Å; E2-K5 IonicContact OE2-NZ 3.3Å; E2-K5 PolarHBondContact OE2-NZ 3.45Å; E2-R6 PolarHBondContact O-N 3.3Å; E2-R6 VanDerWaalsContact O-N 3.15Å
3M86.5Confident85.7Confident2 Ų289.4 Ų89.41%0.0142%0.424CS..Hα-helixtrans-54.2-47.4-178.1-170.8178.9-175.100112.7K5 R6 I7 V24 C27 R28 V34 E35 V37 M49 V52M3-K5 VanDerWaalsContact C-N 3.28Å; M3-K5 PolarHBondContact O-N 3.4Å; M3-R6 PolarHBondContact O-N 3.36Å; M3-R6 VanDerWaalsContact O-N 3.08Å; M3-I7 HydrophobicContact CG-CD1 4.21Å; M3-I7 WeakPolarHBondContact O-CG1 3.34Å; M3-I7 PolarHBondContact O-N 2.71Å; M3-V24 HydrophobicContact CE-CG2 3.91Å; M3-C27 HydrophobicContact CB-CB 4.19Å; M3-C27 HydrophobicContact CG-CB 4.49Å; M3-R28 PolarHBondContact N-O 3.11Å; M3-V34 HydrophobicContact CE-CG1 4.11Å; M3-E35 WeakPolarHBondContact CG-O 3.49Å; M3-E35 HydrophobicContact SD-CB 4.23Å; M3-E35 PolarHBondContact SD-N 3.49Å; M3-E35 VanDerWaalsContact SD-N 3.42Å; M3-V37 HydrophobicContact CE-CG2 4.21Å; M3-M49 HydrophobicContact CE-CG 4.31Å; M3-M49 HydrophobicContact CE-SD 3.38Å; M3-M49 WeakPolarHBondContact CE-SD 3.36Å; M3-V52 HydrophobicContact CG-CG1 4.43Å; M3-V52 HydrophobicContact SD-CG1 3.97Å
4K86.2Confident85.6Confident112 Ų11291.9 Ų91.949%0.48743%0.427SS..Hα-helixtrans-55.9-40.4176.4-73.6168.7174.1144.80113E2 I7 S8 E35E2-K4 PolarHBondContact O-N 3.42Å; K4-I7 PolarHBondContact O-N 3.43Å; K4-S8 PolarHBondContact O-N 3.35Å; K4-S8 VanDerWaalsContact O-N 3.11Å; K4-S8 PolarHBondContact O-OG 3.01Å; K4-E35 VanDerWaalsContact CE-OE2 3.27Å; K4-E35 WeakPolarHBondContact CE-OE2 3.01Å; K4-E35 HydrophobicContact CG-CB 4.34Å; K4-E35 IonicContact NZ-OE2 2.6Å; K4-E35 PolarHBondContact NZ-OE2 2.76Å
5K87.9Confident85.6Confident119 Ų11990.3 Ų90.352%0.51743%0.431SS..Hα-helixtrans-68-39.5178.7-74.8175.6175152.50111.1M1 E2 M3 S8 L9M1-K5 HydrophobicContact CG-CB 4.24Å; E2-K5 HydrophobicContact CB-CB 4.49Å; E2-K5 HydrophobicContact CB-CD 4.3Å; E2-K5 HydrophobicContact CB-CG 4.4Å; E2-K5 WeakPolarHBondContact O-CB 3.2Å; E2-K5 PolarHBondContact O-N 3.26Å; E2-K5 WeakPolarHBondContact OE2-CD 3.11Å; E2-K5 WeakPolarHBondContact OE2-CE 3.45Å; E2-K5 IonicContact OE2-NZ 3.3Å; E2-K5 PolarHBondContact OE2-NZ 3.45Å; M3-K5 VanDerWaalsContact C-N 3.28Å; M3-K5 PolarHBondContact O-N 3.4Å; K5-S8 PolarHBondContact O-N 3.4Å; K5-L9 WeakPolarHBondContact O-CG 3.2Å; K5-L9 PolarHBondContact O-N 3.49Å; K5-L9 VanDerWaalsContact O-N 3.09Å
6R88.6Confident85.6Confident89 Ų8986.4 Ų86.434%0.33642%0.415SS..Hα-helixtrans-63.9-44176.4-176.765.5-172.3-165.73.9111.7M1 E2 M3 S8 L9 E10 V24 C27M1-R6 HydrophobicContact SD-CB 4.18Å; E2-R6 PolarHBondContact O-N 3.3Å; E2-R6 VanDerWaalsContact O-N 3.15Å; M3-R6 PolarHBondContact O-N 3.36Å; M3-R6 VanDerWaalsContact O-N 3.08Å; R6-S8 VanDerWaalsContact C-N 3.34Å; R6-S8 PolarHBondContact O-N 3.28Å; R6-L9 WeakPolarHBondContact O-CB 3.1Å; R6-L9 PolarHBondContact O-N 3.3Å; R6-L9 VanDerWaalsContact O-N 3.07Å; R6-E10 IonicContact CZ-OE1 2.7Å; R6-E10 VanDerWaalsContact CZ-OE1 3.3Å; R6-E10 IonicContact NE-OE1 2.68Å; R6-E10 PolarHBondContact NE-OE1 3.02Å; R6-E10 IonicContact NH2-OE1 3.46Å; R6-E10 PolarHBondContact NH2-OE1 3.28Å; R6-E10 PolarHBondContact O-N 3.3Å; R6-V24 HydrophobicContact CG-CB 4.26Å; R6-V24 HydrophobicContact CG-CG1 4.06Å; R6-C27 WeakPolarHBondContact CB-SG 3.41Å
7I88.5Confident85.6Confident5 Ų584.1 Ų84.13%0.02641%0.413CS..Hα-helixtrans-58.1-47176.2-65.8169.1000110.8M3 K4 L9 E10 L11 L22 V24 E35 G36 V37 F41M3-I7 HydrophobicContact CG-CD1 4.21Å; M3-I7 WeakPolarHBondContact O-CG1 3.34Å; M3-I7 PolarHBondContact O-N 2.71Å; K4-I7 PolarHBondContact O-N 3.43Å; I7-L9 PolarHBondContact O-N 2.71Å; I7-E10 PolarHBondContact O-N 3.42Å; I7-E10 VanDerWaalsContact O-N 3.16Å; I7-L11 HydrophobicContact CG2-CD1 4Å; I7-L11 HydrophobicContact CG2-CG 4.5Å; I7-L11 WeakPolarHBondContact O-CG 3.46Å; I7-L11 PolarHBondContact O-N 2.98Å; I7-L22 HydrophobicContact CG1-CD2 4.42Å; I7-V24 HydrophobicContact CD1-CG1 4.44Å; I7-V24 HydrophobicContact CG1-CG1 3.52Å; I7-E35 VanDerWaalsContact CD1-O 3.3Å; I7-E35 WeakPolarHBondContact CD1-O 3.36Å; I7-G36 VanDerWaalsContact CD1-C 3.43Å; I7-V37 HydrophobicContact CD1-CG2 3.95Å; I7-F41 HydrophobicContact CG2-CE2 4.42Å; I7-F41 HydrophobicContact CG2-CZ 3.76Å
8S87.6Confident85.7Confident82 Ų8287.1 Ų87.157%0.57343%0.426SS*.Hα-helixtrans-59.6-34.1176-61.70000113.2K4 K5 R6K4-S8 PolarHBondContact O-N 3.35Å; K4-S8 VanDerWaalsContact O-N 3.11Å; K4-S8 PolarHBondContact O-OG 3.01Å; K5-S8 PolarHBondContact O-N 3.4Å; R6-S8 VanDerWaalsContact C-N 3.34Å; R6-S8 PolarHBondContact O-N 3.28Å
9L88.4Confident85.9Confident94 Ų9482.6 Ų82.649%0.49241%0.405SS..Hα-helixtrans-72.1-40.2175.5-70.6168.1000112.2M1 K5 R6 I7 L11 R12M1-L9 HydrophobicContact CE-CD1 3.45Å; M1-L9 VanDerWaalsContact CE-CD1 3.45Å; M1-L9 HydrophobicContact SD-CD1 3.77Å; K5-L9 WeakPolarHBondContact O-CG 3.2Å; K5-L9 PolarHBondContact O-N 3.49Å; K5-L9 VanDerWaalsContact O-N 3.09Å; R6-L9 WeakPolarHBondContact O-CB 3.1Å; R6-L9 PolarHBondContact O-N 3.3Å; R6-L9 VanDerWaalsContact O-N 3.07Å; I7-L9 PolarHBondContact O-N 2.71Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.27Å; L9-R12 WeakPolarHBondContact O-CG 3.33Å; L9-R12 PolarHBondContact O-N 3.28Å
10E86.4Confident86Confident33 Ų3386.8 Ų86.815%0.15442%0.416CS..Hα-helixtrans-67.6-30.6177.3-76.1-56.3153.300113.2R6 I7 R12 R14 L22 V23R6-E10 IonicContact CZ-OE1 2.7Å; R6-E10 VanDerWaalsContact CZ-OE1 3.3Å; R6-E10 IonicContact NE-OE1 2.68Å; R6-E10 PolarHBondContact NE-OE1 3.02Å; R6-E10 IonicContact NH2-OE1 3.46Å; R6-E10 PolarHBondContact NH2-OE1 3.28Å; R6-E10 PolarHBondContact O-N 3.3Å; I7-E10 PolarHBondContact O-N 3.42Å; I7-E10 VanDerWaalsContact O-N 3.16Å; E10-R12 PolarHBondContact O-N 2.74Å; E10-R14 PolarHBondContact O-NH2 3.08Å; E10-L22 HydrophobicContact CB-CD1 3.78Å; E10-L22 HydrophobicContact CG-CD1 4.21Å; E10-V23 WeakPolarHBondContact CG-O 3.39Å
11L85.8Confident86.3Confident27 Ų2788.4 Ų88.414%0.14142%0.423CS..Hα-helixtrans-61.2-32175.6-75.5163.6000111.3I7 L9 N13 R14 P16 V19 F41I7-L11 HydrophobicContact CG2-CD1 4Å; I7-L11 HydrophobicContact CG2-CG 4.5Å; I7-L11 WeakPolarHBondContact O-CG 3.46Å; I7-L11 PolarHBondContact O-N 2.98Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.27Å; L11-N13 PolarHBondContact O-N 3.35Å; L11-R14 WeakPolarHBondContact O-CA 3.43Å; L11-R14 WeakPolarHBondContact O-CB 3.46Å; L11-R14 WeakPolarHBondContact O-CG 3.15Å; L11-R14 PolarHBondContact O-N 3.3Å; L11-R14 PolarHBondContact O-NE 3.3Å; L11-P16 HydrophobicContact CD1-CG 4.3Å; L11-P16 HydrophobicContact CD2-CB 4.08Å; L11-P16 HydrophobicContact CD2-CG 3.83Å; L11-V19 HydrophobicContact CD2-CG2 3.78Å; L11-F41 HydrophobicContact CD1-CZ 4.34Å; L11-F41 HydrophobicContact CD2-CE1 3.97Å; L11-F41 HydrophobicContact CD2-CZ 4.18Å
12R81.6Confident86.7Confident191 Ų19182.4 Ų82.472%0.72139%0.393SS*.THydrogen-bonded Turntrans42.840177.2-60.4-170.4-175.6-172.33113.9L9 E10 R14L9-R12 WeakPolarHBondContact O-CG 3.33Å; L9-R12 PolarHBondContact O-N 3.28Å; E10-R12 PolarHBondContact O-N 2.74Å; R12-R14 VanDerWaalsContact C-N 3.3Å; R12-R14 PolarHBondContact O-N 2.99Å
13N78.6Confident86.9Confident175 Ų17579.3 Ų79.394%0.93638%0.382SS*.THydrogen-bonded Turntrans69.310.3-174.5-49.1-51.2000116.7L11L11-N13 PolarHBondContact O-N 3.35Å
14R84.3Confident87.1Confident124 Ų12479.2 Ų79.247%0.46838%0.381SS..  trans-79.3154.2167.7-60.9179-71.9-179.1-0.8110.2E10 L11 R12E10-R14 PolarHBondContact O-NH2 3.08Å; L11-R14 WeakPolarHBondContact O-CA 3.43Å; L11-R14 WeakPolarHBondContact O-CB 3.46Å; L11-R14 WeakPolarHBondContact O-CG 3.15Å; L11-R14 PolarHBondContact O-N 3.3Å; L11-R14 PolarHBondContact O-NE 3.3Å; R12-R14 VanDerWaalsContact C-N 3.3Å; R12-R14 PolarHBondContact O-N 2.99Å
15S86.2Confident87.3Confident68 Ų6876.6 Ų76.648%0.47637%0.373SS..  trans-72.6137.6171.3-65.10000110.3A17 E18S15-A17 PolarHBondContact O-N 3.45Å; S15-A17 VanDerWaalsContact O-N 3.08Å; S15-E18 PolarHBondContact O-N 2.97Å
16P84.6Confident87.3Confident28 Ų2875.2 Ų75.218%0.18238%0.378CS..G310 helixtrans-52.5-31.9176.6-26.332.9000113.7L11 E18 V19 E40 F41L11-P16 HydrophobicContact CD1-CG 4.3Å; L11-P16 HydrophobicContact CD2-CB 4.08Å; L11-P16 HydrophobicContact CD2-CG 3.83Å; P16-E18 VanDerWaalsContact C-N 3.25Å; P16-E18 PolarHBondContact O-N 3.47Å; P16-V19 PolarHBondContact O-N 3.08Å; P16-E40 CarbonylContact C-O 3.4Å; P16-E40 HydrophobicContact CB-CB 3.87Å; P16-E40 HydrophobicContact CG-CB 4.41Å; P16-F41 HydrophobicContact CB-CD1 3.96Å; P16-F41 HydrophobicContact CB-CD2 4.22Å; P16-F41 HydrophobicContact CB-CE1 3.79Å; P16-F41 HydrophobicContact CB-CE2 4.06Å; P16-F41 HydrophobicContact CB-CG 4.18Å; P16-F41 HydrophobicContact CB-CZ 3.85Å; P16-F41 HydrophobicContact CG-CZ 4.46Å; P16-F41 WeakPolarHBondContact O-CD1 3.44Å
17A86.7Confident87.2Confident47 Ų4771.5 Ų71.539%0.38837%0.365SS..G310 helixtrans-69.3-15179.300000115S15 E40 A43S15-A17 PolarHBondContact O-N 3.45Å; S15-A17 VanDerWaalsContact O-N 3.08Å; A17-E40 WeakPolarHBondContact CA-O 3.29Å; A17-E40 WeakPolarHBondContact CB-O 3.14Å; A17-E40 PolarHBondContact N-O 3.37Å; A17-A43 WeakPolarHBondContact O-CB 3.43Å
18E86.2Confident87.1Confident138 Ų13880.7 Ų80.765%0.64540%0.4SS*.G310 helixtrans-100.3-10.8177.6-62.3-175.8114.300112.5S15 P16 R20S15-E18 PolarHBondContact O-N 2.97Å; P16-E18 VanDerWaalsContact C-N 3.25Å; P16-E18 PolarHBondContact O-N 3.47Å; E18-R20 PolarHBondContact O-N 3.49Å
19V89.1Confident86.9Confident3 Ų377.3 Ų77.32%0.01838%0.376CS..  trans-74.2119.7-179.3-179.30000109.3L11 P16 E21 L22 F41 A43 L44L11-V19 HydrophobicContact CD2-CG2 3.78Å; P16-V19 PolarHBondContact O-N 3.08Å; V19-E21 WeakPolarHBondContact CG1-O 3.5Å; V19-L22 HydrophobicContact CG1-CB 4.42Å; V19-F41 HydrophobicContact CB-CD1 4.25Å; V19-F41 HydrophobicContact CB-CE1 4.36Å; V19-A43 CarbonylContact O-C 3.51Å; V19-L44 HydrophobicContact CG1-CD1 4.06Å; V19-L44 WeakPolarHBondContact O-CA 3.28Å; V19-L44 PolarHBondContact O-N 3.12Å
20R89.2Confident86.3Confident166 Ų16676.7 Ų76.763%0.62638%0.384SS*.  trans-95.2-25.8175.5-61.2-172.4-173175.6-0.2113.2E18 E45 V46E18-R20 PolarHBondContact O-N 3.49Å; R20-E45 PolarHBondContact O-N 3.31Å; R20-V46 PolarHBondContact O-N 3.01Å
21E90.9Very high86Confident121 Ų12180.5 Ų80.557%0.56541%0.406SS*.EExtended strand (participates in β ladder)trans-133129-177.8179.9175.1-177.500109.4V19 V23 V46V19-E21 WeakPolarHBondContact CG1-O 3.5Å; E21-V23 HydrophobicContact CG-CG2 4.24Å; E21-V46 WeakPolarHBondContact CA-O 3.41Å; E21-V46 HydrophobicContact CB-CB 4.23Å; E21-V46 HydrophobicContact CG-CB 4.02Å; E21-V46 HydrophobicContact CG-CG1 4.11Å
22L90.9Very high85.7Confident1 Ų180 Ų801%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-131.6120.4179-177.764.4000109.2I7 E10 V19 V24 V37 F41 L44 V46 L47 S48I7-L22 HydrophobicContact CG1-CD2 4.42Å; E10-L22 HydrophobicContact CB-CD1 3.78Å; E10-L22 HydrophobicContact CG-CD1 4.21Å; V19-L22 HydrophobicContact CG1-CB 4.42Å; L22-V24 HydrophobicContact CD1-CG1 4.12Å; L22-V24 HydrophobicContact CG-CG1 4.06Å; L22-V37 HydrophobicContact CD2-CG2 4.4Å; L22-F41 HydrophobicContact CD2-CD1 4.45Å; L22-F41 HydrophobicContact CD2-CE1 4.06Å; L22-F41 HydrophobicContact CD2-CZ 4.26Å; L22-L44 HydrophobicContact CB-CD1 3.59Å; L22-L44 HydrophobicContact CB-CD2 4.34Å; L22-V46 PolarHBondContact N-O 2.9Å; L22-L47 HydrophobicContact CB-CD1 4.09Å; L22-L47 HydrophobicContact CD2-CD1 4.02Å; L22-L47 HydrophobicContact CG-CD1 4.17Å; L22-L47 WeakPolarHBondContact O-CA 3.28Å; L22-S48 PolarHBondContact O-N 2.94Å
23V91.1Very high85.8Confident41 Ų4173 Ų7325%0.24838%0.383CS..EExtended strand (participates in β ladder)trans-117.5115.7-179.8-178.50000109E10 E21 D25E10-V23 WeakPolarHBondContact CG-O 3.39Å; E21-V23 HydrophobicContact CG-CG2 4.24Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.24Å
24V89.4Confident86.1Confident0 Ų065.1 Ų65.10%034%0.341CS..  trans-12938.1-176.4-650000111.9M3 R6 I7 L22 C27 S48 M49 V52M3-V24 HydrophobicContact CE-CG2 3.91Å; R6-V24 HydrophobicContact CG-CB 4.26Å; R6-V24 HydrophobicContact CG-CG1 4.06Å; I7-V24 HydrophobicContact CD1-CG1 4.44Å; I7-V24 HydrophobicContact CG1-CG1 3.52Å; L22-V24 HydrophobicContact CD1-CG1 4.12Å; L22-V24 HydrophobicContact CG-CG1 4.06Å; V24-C27 WeakPolarHBondContact O-CB 2.97Å; V24-C27 PolarHBondContact O-SG 3.16Å; V24-S48 VanDerWaalsContact CG2-O 3.28Å; V24-S48 WeakPolarHBondContact CG2-O 3.35Å; V24-S48 PolarHBondContact N-O 3.01Å; V24-M49 HydrophobicContact CG2-CB 4.1Å; V24-M49 HydrophobicContact CG2-CG 3.51Å; V24-M49 HydrophobicContact CG2-SD 4.26Å; V24-V52 WeakPolarHBondContact O-CG2 3.43Å
25D90.8Very high86.1Confident57 Ų5760.7 Ų60.731%0.30533%0.325SS..THydrogen-bonded Turntrans-67.3157.8-178.1-52.8-26.7000112.6V23 C27 S48 M49 V50V23-D25 WeakPolarHBondContact CG1-OD2 3.24Å; D25-C27 PolarHBondContact O-N 2.91Å; D25-C27 VanDerWaalsContact O-N 3.08Å; D25-C27 PolarHBondContact O-SG 3.28Å; D25-S48 PolarHBondContact OD1-OG 2.81Å; D25-S48 PolarHBondContact OD2-OG 3.09Å; D25-M49 PolarHBondContact OD1-N 3.34Å; D25-V50 CarbonylContact C-O 3.59Å; D25-V50 VanDerWaalsContact CA-O 3.28Å; D25-V50 WeakPolarHBondContact CA-O 3.3Å; D25-V50 HydrophobicContact CB-CB 4.17Å; D25-V50 PolarHBondContact OD1-N 3.07Å
26S88.4Confident85.9Confident90 Ų9058.8 Ų58.863%0.62932%0.316SS*.THydrogen-bonded Turntrans52.332.4178.7-600000113.5V50S26-V50 PolarHBondContact N-O 3.34Å
27C87.3Confident85.9Confident11 Ų1158 Ų587%0.07431%0.311CS..  trans-91.3170.4174.9-72.50000111.2M3 R6 V24 D25 V52M3-C27 HydrophobicContact CB-CB 4.19Å; M3-C27 HydrophobicContact CG-CB 4.49Å; R6-C27 WeakPolarHBondContact CB-SG 3.41Å; V24-C27 WeakPolarHBondContact O-CB 2.97Å; V24-C27 PolarHBondContact O-SG 3.16Å; D25-C27 PolarHBondContact O-N 2.91Å; D25-C27 VanDerWaalsContact O-N 3.08Å; D25-C27 PolarHBondContact O-SG 3.28Å; C27-V52 HydrophobicContact CB-CG1 4Å; C27-V52 HydrophobicContact CB-CG2 4.19Å; C27-V52 VanDerWaalsContact O-CA 3.28Å; C27-V52 WeakPolarHBondContact O-CA 2.69Å
28R85.7Confident85.8Confident197 Ų19758.2 Ų58.274%0.74331%0.308SS*.BIsolated β-bridgetrans-117117.7170.2-170.9174.4-72.3-161.3-2.7108.7M1 M3M1-R28 PolarHBondContact O-N 3.43Å; M3-R28 PolarHBondContact N-O 3.11Å
29S84.3Confident85.7Confident12 Ų1257.8 Ų57.88%0.08431%0.306CS..  trans-78.7139161.2178.40000109.1G32 E33 V52S29-G32 PolarHBondContact OG-N 3.4Å; S29-E33 WeakPolarHBondContact CB-O 3.4Å; S29-E33 PolarHBondContact OG-N 3.01Å; S29-E33 VanDerWaalsContact OG-N 3.08Å; S29-E33 PolarHBondContact OG-O 3.48Å; S29-V52 PolarHBondContact N-O 3.23Å; S29-V52 VanDerWaalsContact N-O 3.13Å
30A75.9Confident85.6Confident80 Ų8063.3 Ų63.366%0.66133%0.331SS*.SBendtrans-80.1-40.5-179.100000111E35A30-E35 PolarHBondContact N-OE1 2.69Å
31D78.4Confident85.4Confident114 Ų11455.6 Ų55.661%0.6130%0.302SS*.SBendtrans-99.11.6-176-62.6-36.1000113.2E33D31-E33 PolarHBondContact O-N 3.14Å
32G80.3Confident85.2Confident16 Ų1652.4 Ų52.417%0.16529%0.294CS..SBendtrans69.523-172.900000112.7S29 G53 L54 G55 S56S29-G32 PolarHBondContact OG-N 3.4Å; G32-G53 WeakPolarHBondContact CA-O 3.28Å; G32-L54 CarbonylContact O-C 3.39Å; G32-L54 WeakPolarHBondContact O-CA 3.43Å; G32-G55 PolarHBondContact O-N 2.94Å; G32-S56 PolarHBondContact O-N 2.98Å
33E84.1Confident85Confident45 Ų4553.1 Ų53.121%0.2130%0.299CS..SBendtrans-127.1165.3178.7-65.9-177.211100110.9S29 D31 E35 L54 K59S29-E33 WeakPolarHBondContact CB-O 3.4Å; S29-E33 PolarHBondContact OG-N 3.01Å; S29-E33 VanDerWaalsContact OG-N 3.08Å; S29-E33 PolarHBondContact OG-O 3.48Å; D31-E33 PolarHBondContact O-N 3.14Å; E33-E35 PolarHBondContact O-N 3.15Å; E33-L54 WeakPolarHBondContact O-CD2 3.37Å; E33-K59 HydrophobicContact CB-CB 4.38Å; E33-K59 HydrophobicContact CB-CD 3.95Å; E33-K59 HydrophobicContact CB-CG 4.43Å; E33-K59 HydrophobicContact CG-CD 4.37Å; E33-K59 VanDerWaalsContact OE2-CD 3.25Å; E33-K59 WeakPolarHBondContact OE2-CD 3.45Å; E33-K59 WeakPolarHBondContact OE2-CE 3.43Å; E33-K59 IonicContact OE2-NZ 2.69Å; E33-K59 PolarHBondContact OE2-NZ 3.47Å
34V84.9Confident85Confident9 Ų951.2 Ų51.26%0.05529%0.288CS..  trans-66.2119.6179.1179.50000109.3M3 V37 M49 L54 L57 L60M3-V34 HydrophobicContact CE-CG1 4.11Å; V34-V37 HydrophobicContact CG1-CB 3.83Å; V34-V37 HydrophobicContact CG1-CG2 3.71Å; V34-M49 HydrophobicContact CG1-SD 4.22Å; V34-M49 HydrophobicContact CG2-CE 3.93Å; V34-M49 HydrophobicContact CG2-SD 4.34Å; V34-L54 HydrophobicContact CG2-CD1 4.2Å; V34-L54 HydrophobicContact CG2-CD2 4.15Å; V34-L57 HydrophobicContact CG2-CD2 4.06Å; V34-L60 HydrophobicContact CG1-CG 4.48Å; V34-L60 HydrophobicContact CG2-CD1 4.11Å; V34-L60 HydrophobicContact CG2-CG 4.19Å
35E83.8Confident85.1Confident30 Ų3054.2 Ų54.214%0.1430%0.302CS..  trans-122.4132.9-178.2-78.1-170.2-132.400112M3 K4 I7 A30 E33 V37M3-E35 WeakPolarHBondContact CG-O 3.49Å; M3-E35 HydrophobicContact SD-CB 4.23Å; M3-E35 PolarHBondContact SD-N 3.49Å; M3-E35 VanDerWaalsContact SD-N 3.42Å; K4-E35 VanDerWaalsContact CE-OE2 3.27Å; K4-E35 WeakPolarHBondContact CE-OE2 3.01Å; K4-E35 HydrophobicContact CG-CB 4.34Å; K4-E35 IonicContact NZ-OE2 2.6Å; K4-E35 PolarHBondContact NZ-OE2 2.76Å; I7-E35 VanDerWaalsContact CD1-O 3.3Å; I7-E35 WeakPolarHBondContact CD1-O 3.36Å; A30-E35 PolarHBondContact N-OE1 2.69Å; E33-E35 PolarHBondContact O-N 3.15Å; E35-V37 VanDerWaalsContact C-N 3.28Å; E35-V37 PolarHBondContact O-N 3.31Å
36G82.1Confident85.1Confident28 Ų2852.8 Ų52.829%0.28930%0.295SS..SBendtrans85.8-10.417500000115.1I7I7-G36 VanDerWaalsContact CD1-C 3.43Å
37V83.9Confident85.3Confident11 Ų1148.5 Ų48.57%0.06727%0.265CS..  trans-81.7118.6165.8-168.40000107.8M3 I7 L22 V34 E35 F41 P61 L63M3-V37 HydrophobicContact CE-CG2 4.21Å; I7-V37 HydrophobicContact CD1-CG2 3.95Å; L22-V37 HydrophobicContact CD2-CG2 4.4Å; V34-V37 HydrophobicContact CG1-CB 3.83Å; V34-V37 HydrophobicContact CG1-CG2 3.71Å; E35-V37 VanDerWaalsContact C-N 3.28Å; E35-V37 PolarHBondContact O-N 3.31Å; V37-F41 HydrophobicContact CG1-CD2 4.23Å; V37-P61 HydrophobicContact CB-CG 4.25Å; V37-P61 HydrophobicContact CG1-CG 3.75Å; V37-P61 WeakPolarHBondContact O-CG 3.45Å; V37-L63 HydrophobicContact CG1-CD1 4.41Å
38T85.8Confident85.6Confident52 Ų5248.5 Ų48.532%0.31927%0.265SS..  trans-115.5172.3179.861.90000110.9E40 F41T38-E40 PolarHBondContact O-N 3.31Å; T38-E40 VanDerWaalsContact O-N 3.13Å; T38-E40 WeakPolarHBondContact OG1-CB 3.49Å; T38-E40 WeakPolarHBondContact OG1-CG 3.5Å; T38-E40 PolarHBondContact OG1-N 3.22Å; T38-E40 PolarHBondContact OG1-OE2 3.36Å; T38-F41 WeakPolarHBondContact O-CD2 3.46Å; T38-F41 PolarHBondContact O-N 2.95Å
39E84.2Confident85.8Confident129 Ų12939.1 Ų39.160%0.60323%0.23SC*.THydrogen-bonded Turntrans-67.2-6.7174.1-62-177.2140.400113F41 P61E39-F41 PolarHBondContact O-N 3.24Å; E39-P61 HydrophobicContact CB-CB 4.48Å; E39-P61 HydrophobicContact CG-CB 3.64Å
40E85.4Confident86.2Confident120 Ų12039.9 Ų39.956%0.56123%0.234SC*.THydrogen-bonded Turntrans-65.8-24.8176-60.6174.894.300112.1P16 A17 T38 S42P16-E40 CarbonylContact C-O 3.4Å; P16-E40 HydrophobicContact CB-CB 3.87Å; P16-E40 HydrophobicContact CG-CB 4.41Å; A17-E40 WeakPolarHBondContact CA-O 3.29Å; A17-E40 WeakPolarHBondContact CB-O 3.14Å; A17-E40 PolarHBondContact N-O 3.37Å; T38-E40 PolarHBondContact O-N 3.31Å; T38-E40 VanDerWaalsContact O-N 3.13Å; T38-E40 WeakPolarHBondContact OG1-CB 3.49Å; T38-E40 WeakPolarHBondContact OG1-CG 3.5Å; T38-E40 PolarHBondContact OG1-N 3.22Å; T38-E40 PolarHBondContact OG1-OE2 3.36Å; E40-S42 PolarHBondContact O-N 3.46Å
41F86.6Confident86.9Confident3 Ų340.4 Ų40.41%0.01323%0.225CC..  trans-75.347.4176.4-67.7-84.7000112.7I7 L11 P16 V19 L22 V37 T38 E39 A43 L44 L63I7-F41 HydrophobicContact CG2-CE2 4.42Å; I7-F41 HydrophobicContact CG2-CZ 3.76Å; L11-F41 HydrophobicContact CD1-CZ 4.34Å; L11-F41 HydrophobicContact CD2-CE1 3.97Å; L11-F41 HydrophobicContact CD2-CZ 4.18Å; P16-F41 HydrophobicContact CB-CD1 3.96Å; P16-F41 HydrophobicContact CB-CD2 4.22Å; P16-F41 HydrophobicContact CB-CE1 3.79Å; P16-F41 HydrophobicContact CB-CE2 4.06Å; P16-F41 HydrophobicContact CB-CG 4.18Å; P16-F41 HydrophobicContact CB-CZ 3.85Å; P16-F41 HydrophobicContact CG-CZ 4.46Å; P16-F41 WeakPolarHBondContact O-CD1 3.44Å; V19-F41 HydrophobicContact CB-CD1 4.25Å; V19-F41 HydrophobicContact CB-CE1 4.36Å; L22-F41 HydrophobicContact CD2-CD1 4.45Å; L22-F41 HydrophobicContact CD2-CE1 4.06Å; L22-F41 HydrophobicContact CD2-CZ 4.26Å; V37-F41 HydrophobicContact CG1-CD2 4.23Å; T38-F41 WeakPolarHBondContact O-CD2 3.46Å; T38-F41 PolarHBondContact O-N 2.95Å; E39-F41 PolarHBondContact O-N 3.24Å; F41-A43 PolarHBondContact O-N 3.47Å; F41-L44 HydrophobicContact CB-CB 4.11Å; F41-L44 HydrophobicContact CB-CD2 4.37Å; F41-L44 VanDerWaalsContact O-CB 3.29Å; F41-L44 WeakPolarHBondContact O-CB 3.43Å; F41-L44 PolarHBondContact O-N 2.94Å; F41-L44 VanDerWaalsContact O-N 3.16Å; F41-L63 HydrophobicContact CB-CD2 3.98Å; F41-L63 WeakPolarHBondContact O-CD2 3.26Å
42S85.9Confident87.4Confident55 Ų5535.1 Ų35.139%0.38520%0.197SC..THydrogen-bonded Turntrans-66.4-20-175.361.90000114.8E40 K65E40-S42 PolarHBondContact O-N 3.46Å; S42-K65 WeakPolarHBondContact O-CD 3.46Å
43A87.5Confident87.7Confident15 Ų1536.2 Ų36.212%0.12421%0.209CC..THydrogen-bonded Turntrans-97.83.9176.700000114.3A17 V19 F41 E45A17-A43 WeakPolarHBondContact O-CB 3.43Å; V19-A43 CarbonylContact O-C 3.51Å; F41-A43 PolarHBondContact O-N 3.47Å; A43-E45 PolarHBondContact O-N 3.4Å
44L90.3Very high88Confident1 Ų134 Ų341%0.00520%0.199CC..  trans-69.3124.1-175.5-163.572.6000110.8V19 L22 F41 V46 L47 L63 K65 L66V19-L44 HydrophobicContact CG1-CD1 4.06Å; V19-L44 WeakPolarHBondContact O-CA 3.28Å; V19-L44 PolarHBondContact O-N 3.12Å; L22-L44 HydrophobicContact CB-CD1 3.59Å; L22-L44 HydrophobicContact CB-CD2 4.34Å; F41-L44 HydrophobicContact CB-CB 4.11Å; F41-L44 HydrophobicContact CB-CD2 4.37Å; F41-L44 VanDerWaalsContact O-CB 3.29Å; F41-L44 WeakPolarHBondContact O-CB 3.43Å; F41-L44 PolarHBondContact O-N 2.94Å; F41-L44 VanDerWaalsContact O-N 3.16Å; L44-V46 WeakPolarHBondContact CD1-O 3.32Å; L44-L47 HydrophobicContact CD2-CB 3.99Å; L44-L47 HydrophobicContact CD2-CD1 4.26Å; L44-L47 HydrophobicContact CD2-CD2 4.33Å; L44-L47 HydrophobicContact CD2-CG 4.43Å; L44-L63 HydrophobicContact CD2-CD1 4.16Å; L44-K65 CarbonylContact O-C 3.43Å; L44-L66 HydrophobicContact CD2-CD1 4.12Å; L44-L66 HydrophobicContact CG-CD1 4.09Å; L44-L66 VanDerWaalsContact O-CA 3.28Å; L44-L66 WeakPolarHBondContact O-CA 3.47Å; L44-L66 PolarHBondContact O-N 2.9Å; L44-L66 VanDerWaalsContact O-N 3.09Å
45E91.1Very high87.9Confident63 Ų6334.9 Ų34.929%0.29421%0.209SC..  trans-109-33.5179.8-67.4177.1-159.300111.2R20 A43 R67 K68R20-E45 PolarHBondContact O-N 3.31Å; A43-E45 PolarHBondContact O-N 3.4Å; E45-R67 PolarHBondContact O-N 3.11Å; E45-K68 PolarHBondContact O-N 2.58Å
46V92.1Very high88Confident28 Ų2834.9 Ų34.917%0.1721%0.213CC..EExtended strand (participates in β ladder)trans-127.2126.4-178-176.90000109.9R20 E21 L22 L44 K68 F164R20-V46 PolarHBondContact O-N 3.01Å; E21-V46 WeakPolarHBondContact CA-O 3.41Å; E21-V46 HydrophobicContact CB-CB 4.23Å; E21-V46 HydrophobicContact CG-CB 4.02Å; E21-V46 HydrophobicContact CG-CG1 4.11Å; L22-V46 PolarHBondContact N-O 2.9Å; L44-V46 WeakPolarHBondContact CD1-O 3.32Å; V46-K68 WeakPolarHBondContact CA-O 3.41Å; V46-K68 HydrophobicContact CG1-CB 4.37Å; V46-K68 HydrophobicContact CG1-CD 4.37Å; V46-K68 HydrophobicContact CG1-CG 4.12Å; V46-K68 HydrophobicContact CG2-CB 4.3Å; V46-F164 HydrophobicContact CG2-CE1 4.36Å
47L92.3Very high88.1Confident0 Ų033.6 Ų33.60%020%0.199CC..EExtended strand (participates in β ladder)trans-129.7121.1175.417856.3000109.6L22 L44 M49 L63 L66 K68 L69 E70L22-L47 HydrophobicContact CB-CD1 4.09Å; L22-L47 HydrophobicContact CD2-CD1 4.02Å; L22-L47 HydrophobicContact CG-CD1 4.17Å; L22-L47 WeakPolarHBondContact O-CA 3.28Å; L44-L47 HydrophobicContact CD2-CB 3.99Å; L44-L47 HydrophobicContact CD2-CD1 4.26Å; L44-L47 HydrophobicContact CD2-CD2 4.33Å; L44-L47 HydrophobicContact CD2-CG 4.43Å; L47-M49 HydrophobicContact CD1-CG 3.81Å; L47-M49 HydrophobicContact CD1-SD 4.11Å; L47-M49 HydrophobicContact CD2-CE 3.84Å; L47-M49 HydrophobicContact CD2-CG 4.45Å; L47-M49 HydrophobicContact CD2-SD 4.04Å; L47-M49 HydrophobicContact CG-CE 4.22Å; L47-M49 HydrophobicContact CG-CG 3.92Å; L47-M49 HydrophobicContact CG-SD 4.16Å; L47-L63 HydrophobicContact CD2-CD1 4.22Å; L47-L66 HydrophobicContact CB-CD1 3.65Å; L47-L66 HydrophobicContact CB-CD2 4.41Å; L47-K68 PolarHBondContact N-O 2.7Å; L47-L69 HydrophobicContact CB-CD1 3.99Å; L47-L69 HydrophobicContact CD2-CD1 3.86Å; L47-L69 HydrophobicContact CG-CD1 3.87Å; L47-L69 WeakPolarHBondContact O-CA 3.45Å; L47-E70 PolarHBondContact O-N 3.27Å
48S92.8Very high87.9Confident10 Ų1035.4 Ų35.47%0.0722%0.215CC..EExtended strand (participates in β ladder)trans-115.9124.9173.5-172.60000110.7L22 V24 D25L22-S48 PolarHBondContact O-N 2.94Å; V24-S48 VanDerWaalsContact CG2-O 3.28Å; V24-S48 WeakPolarHBondContact CG2-O 3.35Å; V24-S48 PolarHBondContact N-O 3.01Å; D25-S48 PolarHBondContact OD1-OG 2.81Å; D25-S48 PolarHBondContact OD2-OG 3.09Å
49M91.1Very high87.8Confident0 Ų038.3 Ų38.30%022%0.223CC..  trans-136.959.3179.9-49.7-168.4-75.300109.6M3 V24 D25 V34 L47 V52 L54 L57 L60 L69 E70 V71 N74M3-M49 HydrophobicContact CE-CG 4.31Å; M3-M49 HydrophobicContact CE-SD 3.38Å; M3-M49 WeakPolarHBondContact CE-SD 3.36Å; V24-M49 HydrophobicContact CG2-CB 4.1Å; V24-M49 HydrophobicContact CG2-CG 3.51Å; V24-M49 HydrophobicContact CG2-SD 4.26Å; D25-M49 PolarHBondContact OD1-N 3.34Å; V34-M49 HydrophobicContact CG1-SD 4.22Å; V34-M49 HydrophobicContact CG2-CE 3.93Å; V34-M49 HydrophobicContact CG2-SD 4.34Å; L47-M49 HydrophobicContact CD1-CG 3.81Å; L47-M49 HydrophobicContact CD1-SD 4.11Å; L47-M49 HydrophobicContact CD2-CE 3.84Å; L47-M49 HydrophobicContact CD2-CG 4.45Å; L47-M49 HydrophobicContact CD2-SD 4.04Å; L47-M49 HydrophobicContact CG-CE 4.22Å; L47-M49 HydrophobicContact CG-CG 3.92Å; L47-M49 HydrophobicContact CG-SD 4.16Å; M49-V52 HydrophobicContact CB-CG2 4.05Å; M49-L54 HydrophobicContact CB-CD1 4.21Å; M49-L54 HydrophobicContact CE-CD1 4.05Å; M49-L54 HydrophobicContact SD-CD1 4.34Å; M49-L57 HydrophobicContact CE-CD2 4.4Å; M49-L60 HydrophobicContact CE-CD1 4.28Å; M49-L69 HydrophobicContact CE-CD1 4.08Å; M49-E70 PolarHBondContact N-O 2.78Å; M49-V71 HydrophobicContact CB-CG1 4.33Å; M49-V71 HydrophobicContact CE-CG1 3.73Å; M49-N74 PolarHBondContact O-ND2 3.3Å
50V92.4Very high87.8Confident28 Ų2832.4 Ų32.417%0.1720%0.196CC..THydrogen-bonded Turntrans-81.7135.1-177.8179.20000110.9D25 S26 V52 E70 S72 D73D25-V50 CarbonylContact C-O 3.59Å; D25-V50 VanDerWaalsContact CA-O 3.28Å; D25-V50 WeakPolarHBondContact CA-O 3.3Å; D25-V50 HydrophobicContact CB-CB 4.17Å; D25-V50 PolarHBondContact OD1-N 3.07Å; S26-V50 PolarHBondContact N-O 3.34Å; V50-V52 PolarHBondContact O-N 3.16Å; V50-E70 HydrophobicContact CG2-CB 4.33Å; V50-S72 WeakPolarHBondContact CA-O 3.4Å; V50-D73 HydrophobicContact CG1-CB 4.46Å
51N90.7Very high87.9Confident91 Ų9127.3 Ų27.349%0.48717%0.173SC..THydrogen-bonded Turntrans53.450.8177.1-169.523.7000113.5S72 D73N51-S72 PolarHBondContact N-O 2.93Å; N51-D73 VanDerWaalsContact CA-O 3.32Å; N51-D73 WeakPolarHBondContact CA-O 3.31Å; N51-D73 HydrophobicContact CB-CB 4.12Å
52V88.6Confident87.9Confident3 Ų328.7 Ų28.72%0.01819%0.185CC..SBendtrans-100.8-11.3-179.8-174.90000112.5M3 V24 C27 S29 M49 V50 L54 N74M3-V52 HydrophobicContact CG-CG1 4.43Å; M3-V52 HydrophobicContact SD-CG1 3.97Å; V24-V52 WeakPolarHBondContact O-CG2 3.43Å; C27-V52 HydrophobicContact CB-CG1 4Å; C27-V52 HydrophobicContact CB-CG2 4.19Å; C27-V52 VanDerWaalsContact O-CA 3.28Å; C27-V52 WeakPolarHBondContact O-CA 2.69Å; S29-V52 PolarHBondContact N-O 3.23Å; S29-V52 VanDerWaalsContact N-O 3.13Å; M49-V52 HydrophobicContact CB-CG2 4.05Å; V50-V52 PolarHBondContact O-N 3.16Å; V52-L54 HydrophobicContact CB-CD1 4.49Å; V52-L54 HydrophobicContact CB-CG 4.16Å; V52-L54 HydrophobicContact CG1-CD2 4.45Å; V52-L54 HydrophobicContact CG1-CG 4.32Å; V52-N74 PolarHBondContact N-OD1 3.29Å
53G87.3Confident88.1Confident39 Ų3926.1 Ų26.140%0.40217%0.167SC..  trans7829.6-176.200000113.2G32 N74G32-G53 WeakPolarHBondContact CA-O 3.28Å; G53-N74 PolarHBondContact N-OD1 3.09Å
54L88.4Confident88Confident0 Ų028.4 Ų28.40%018%0.181CC..  trans-71.9127.1179.2-63.5171.8000110.8G32 E33 V34 M49 V52 L57 N74 S75 I76G32-L54 CarbonylContact O-C 3.39Å; G32-L54 WeakPolarHBondContact O-CA 3.43Å; E33-L54 WeakPolarHBondContact O-CD2 3.37Å; V34-L54 HydrophobicContact CG2-CD1 4.2Å; V34-L54 HydrophobicContact CG2-CD2 4.15Å; M49-L54 HydrophobicContact CB-CD1 4.21Å; M49-L54 HydrophobicContact CE-CD1 4.05Å; M49-L54 HydrophobicContact SD-CD1 4.34Å; V52-L54 HydrophobicContact CB-CD1 4.49Å; V52-L54 HydrophobicContact CB-CG 4.16Å; V52-L54 HydrophobicContact CG1-CD2 4.45Å; V52-L54 HydrophobicContact CG1-CG 4.32Å; L54-L57 HydrophobicContact CD1-CD2 4.22Å; L54-N74 HydrophobicContact CB-CB 4.11Å; L54-N74 PolarHBondContact N-OD1 3.43Å; L54-S75 CarbonylContact O-C 3.21Å; L54-S75 VanDerWaalsContact O-CA 3.24Å; L54-S75 WeakPolarHBondContact O-CA 3.39Å; L54-S75 PolarHBondContact O-N 2.92Å; L54-I76 HydrophobicContact CB-CG1 4.23Å; L54-I76 PolarHBondContact O-N 2.97Å; L54-I76 VanDerWaalsContact O-N 3.17Å
55G84.7Confident87.9Confident27 Ų2734 Ų3428%0.27821%0.205SC..SBendtrans-92.7-23.6170.800000113.8G32 S75 I76 S77G32-G55 PolarHBondContact O-N 2.94Å; G55-S75 WeakPolarHBondContact CA-O 3.29Å; G55-I76 WeakPolarHBondContact O-CA 3.17Å; G55-S77 PolarHBondContact O-N 2.84Å
56S85.1Confident88Confident30 Ų3031 Ų3121%0.2119%0.191CC..BIsolated β-bridgetrans-153.4153.1-178.7-178.80000112.2G32 A58G32-S56 PolarHBondContact O-N 2.98Å; S56-A58 WeakPolarHBondContact OG-CB 3.25Å; S56-A58 PolarHBondContact OG-N 2.85Å; S56-A58 VanDerWaalsContact OG-N 3.14Å
57L83.9Confident87.9Confident0 Ų031.6 Ų31.60%019%0.19CC..  trans-101.712.3173.1-59.3175.6000112.7V34 M49 L54 K59 L60 V71 I76 L80 L83V34-L57 HydrophobicContact CG2-CD2 4.06Å; M49-L57 HydrophobicContact CE-CD2 4.4Å; L54-L57 HydrophobicContact CD1-CD2 4.22Å; L57-K59 VanDerWaalsContact C-N 3.25Å; L57-K59 PolarHBondContact O-N 3.27Å; L57-L60 HydrophobicContact CB-CD1 4.03Å; L57-L60 HydrophobicContact CD2-CD1 3.85Å; L57-L60 HydrophobicContact CG-CD1 4.35Å; L57-L60 WeakPolarHBondContact O-CB 3.15Å; L57-L60 PolarHBondContact O-N 2.79Å; L57-L60 VanDerWaalsContact O-N 3.1Å; L57-V71 HydrophobicContact CD2-CG1 4.17Å; L57-I76 HydrophobicContact CD1-CD1 4.07Å; L57-I76 HydrophobicContact CD2-CD1 3.93Å; L57-I76 HydrophobicContact CG-CD1 3.94Å; L57-L80 HydrophobicContact CD1-CD2 4.32Å; L57-L83 HydrophobicContact CD1-CD1 3.76Å; L57-L83 HydrophobicContact CD1-CD2 4.07Å; L57-L83 HydrophobicContact CD1-CG 4.05Å
58A80.3Confident87.9Confident49 Ų4933.6 Ų33.641%0.40520%0.199SC..THydrogen-bonded Turntrans-61.1-28.9-176.400000114.5S56 L60S56-A58 WeakPolarHBondContact OG-CB 3.25Å; S56-A58 PolarHBondContact OG-N 2.85Å; S56-A58 VanDerWaalsContact OG-N 3.14Å; A58-L60 VanDerWaalsContact C-N 3.33Å
59K82.4Confident87.9Confident114 Ų11433.1 Ų33.150%0.49620%0.196SC..THydrogen-bonded Turntrans-87.68.8178.2-76-172.5-179.8162.90114.4E33 L57E33-K59 HydrophobicContact CB-CB 4.38Å; E33-K59 HydrophobicContact CB-CD 3.95Å; E33-K59 HydrophobicContact CB-CG 4.43Å; E33-K59 HydrophobicContact CG-CD 4.37Å; E33-K59 VanDerWaalsContact OE2-CD 3.25Å; E33-K59 WeakPolarHBondContact OE2-CD 3.45Å; E33-K59 WeakPolarHBondContact OE2-CE 3.43Å; E33-K59 IonicContact OE2-NZ 2.69Å; E33-K59 PolarHBondContact OE2-NZ 3.47Å; L57-K59 VanDerWaalsContact C-N 3.25Å; L57-K59 PolarHBondContact O-N 3.27Å
60L85.4Confident88Confident4 Ų435.3 Ų35.32%0.02121%0.206CC..PPolyproline II helixtrans-67.1128.7178.7-126145.2000110.6V34 M49 L57 A58 L63 L83V34-L60 HydrophobicContact CG1-CG 4.48Å; V34-L60 HydrophobicContact CG2-CD1 4.11Å; V34-L60 HydrophobicContact CG2-CG 4.19Å; M49-L60 HydrophobicContact CE-CD1 4.28Å; L57-L60 HydrophobicContact CB-CD1 4.03Å; L57-L60 HydrophobicContact CD2-CD1 3.85Å; L57-L60 HydrophobicContact CG-CD1 4.35Å; L57-L60 WeakPolarHBondContact O-CB 3.15Å; L57-L60 PolarHBondContact O-N 2.79Å; L57-L60 VanDerWaalsContact O-N 3.1Å; A58-L60 VanDerWaalsContact C-N 3.33Å; L60-L63 HydrophobicContact CD2-CD1 3.61Å; L60-L63 HydrophobicContact CD2-CG 4.44Å; L60-L83 HydrophobicContact CD1-CD2 4Å
61P86.6Confident88.1Confident14 Ų1434 Ų349%0.09120%0.197CC..PPolyproline II helixtrans-68.3167.4175.129.2-36.8000111.9V37 E39 L63V37-P61 HydrophobicContact CB-CG 4.25Å; V37-P61 HydrophobicContact CG1-CG 3.75Å; V37-P61 WeakPolarHBondContact O-CG 3.45Å; E39-P61 HydrophobicContact CB-CB 4.48Å; E39-P61 HydrophobicContact CG-CB 3.64Å; P61-L63 HydrophobicContact CG-CD2 4.38Å; P61-L63 HydrophobicContact CG-CG 4.35Å; P61-L63 PolarHBondContact O-N 2.73Å
62A87.8Confident88.2Confident32 Ų3230 Ų3026%0.26418%0.177SC..PPolyproline II helixtrans-69.1117.3173.600000110.5P64 K86A62-P64 WeakPolarHBondContact O-CD 3.44Å; A62-K86 HydrophobicContact CB-CD 4.01Å
63L89.1Confident88.3Confident1 Ų134.5 Ų34.51%0.00520%0.201CC..  trans-123.580.1-179.7-61.3172.5000108.9V37 F41 L44 L47 L60 P61 K65 L66 K86V37-L63 HydrophobicContact CG1-CD1 4.41Å; F41-L63 HydrophobicContact CB-CD2 3.98Å; F41-L63 WeakPolarHBondContact O-CD2 3.26Å; L44-L63 HydrophobicContact CD2-CD1 4.16Å; L47-L63 HydrophobicContact CD2-CD1 4.22Å; L60-L63 HydrophobicContact CD2-CD1 3.61Å; L60-L63 HydrophobicContact CD2-CG 4.44Å; P61-L63 HydrophobicContact CG-CD2 4.38Å; P61-L63 HydrophobicContact CG-CG 4.35Å; P61-L63 PolarHBondContact O-N 2.73Å; L63-K65 PolarHBondContact O-N 2.87Å; L63-K65 VanDerWaalsContact O-N 3.16Å; L63-L66 HydrophobicContact CB-CB 3.81Å; L63-L66 HydrophobicContact CB-CD2 4.49Å; L63-L66 HydrophobicContact CD1-CD2 4.05Å; L63-L66 WeakPolarHBondContact O-CB 3.44Å; L63-L66 PolarHBondContact O-N 2.91Å; L63-L66 VanDerWaalsContact O-N 3.14Å; L63-K86 CarbonylContact C-O 3.46Å; L63-K86 PolarHBondContact N-O 2.69Å
64P86.1Confident88.5Confident63 Ų6332.8 Ų32.841%0.40918%0.183SC..THydrogen-bonded Turntrans-67.2-20.3-170.727-35.6000113.4A62 N89A62-P64 WeakPolarHBondContact O-CD 3.44Å; P64-N89 PolarHBondContact O-ND2 2.87Å
65K89.1Confident88.6Confident117 Ų11735.6 Ų35.651%0.50920%0.202SC..THydrogen-bonded Turntrans-98.8-1178.9-68-169.7-175.6173.70113.8S42 L44 L63 R67S42-K65 WeakPolarHBondContact O-CD 3.46Å; L44-K65 CarbonylContact O-C 3.43Å; L63-K65 PolarHBondContact O-N 2.87Å; L63-K65 VanDerWaalsContact O-N 3.16Å; K65-R67 VanDerWaalsContact O-CG 3.25Å; K65-R67 WeakPolarHBondContact O-CG 3.28Å; K65-R67 PolarHBondContact O-N 2.83Å
66L91.3Very high88.8Confident0 Ų034.3 Ų34.30%019%0.189CC..  trans-68128.6-178.1-166.573.7000110.1L44 L47 L63 L69 N89 L90L44-L66 HydrophobicContact CD2-CD1 4.12Å; L44-L66 HydrophobicContact CG-CD1 4.09Å; L44-L66 VanDerWaalsContact O-CA 3.28Å; L44-L66 WeakPolarHBondContact O-CA 3.47Å; L44-L66 PolarHBondContact O-N 2.9Å; L44-L66 VanDerWaalsContact O-N 3.09Å; L47-L66 HydrophobicContact CB-CD1 3.65Å; L47-L66 HydrophobicContact CB-CD2 4.41Å; L63-L66 HydrophobicContact CB-CB 3.81Å; L63-L66 HydrophobicContact CB-CD2 4.49Å; L63-L66 HydrophobicContact CD1-CD2 4.05Å; L63-L66 WeakPolarHBondContact O-CB 3.44Å; L63-L66 PolarHBondContact O-N 2.91Å; L63-L66 VanDerWaalsContact O-N 3.14Å; L66-L69 HydrophobicContact CD2-CB 4.19Å; L66-L69 HydrophobicContact CD2-CD1 4.39Å; L66-N89 CarbonylContact O-C 3.13Å; L66-L90 HydrophobicContact CD2-CD1 4.16Å; L66-L90 HydrophobicContact CG-CD1 4.18Å; L66-L90 WeakPolarHBondContact O-CA 3.46Å; L66-L90 PolarHBondContact O-N 2.87Å
67R91.3Very high88.8Confident41 Ų4136.4 Ų36.416%0.15520%0.204CC..  trans-118.4-32-176-53-173.566-152.6-0.3112E45 K65 S91 Y92 W163 F164E45-R67 PolarHBondContact O-N 3.11Å; K65-R67 VanDerWaalsContact O-CG 3.25Å; K65-R67 WeakPolarHBondContact O-CG 3.28Å; K65-R67 PolarHBondContact O-N 2.83Å; R67-S91 WeakPolarHBondContact O-CA 3.49Å; R67-S91 PolarHBondContact O-N 3.41Å; R67-S91 PolarHBondContact O-OG 3.38Å; R67-Y92 PolarHBondContact O-N 3.14Å; R67-W163 PolarHBondContact NH1-O 3.32Å; R67-W163 PolarHBondContact NH2-O 3.23Å; R67-F164 PolarHBondContact NH1-O 3.34Å
68K92.4Very high88.6Confident43 Ų4337.5 Ų37.519%0.18722%0.215CC..EExtended strand (participates in β ladder)trans-128.4125.2179.6168.8157.3177.4-177.20110.4E45 V46 L47 E70 Y92 F164E45-K68 PolarHBondContact O-N 2.58Å; V46-K68 WeakPolarHBondContact CA-O 3.41Å; V46-K68 HydrophobicContact CG1-CB 4.37Å; V46-K68 HydrophobicContact CG1-CD 4.37Å; V46-K68 HydrophobicContact CG1-CG 4.12Å; V46-K68 HydrophobicContact CG2-CB 4.3Å; L47-K68 PolarHBondContact N-O 2.7Å; K68-E70 WeakPolarHBondContact CE-OE1 3.2Å; K68-E70 IonicContact NZ-OE1 3.3Å; K68-E70 PolarHBondContact NZ-OE1 3.18Å; K68-Y92 WeakPolarHBondContact CA-O 3.34Å; K68-Y92 HydrophobicContact CB-CD1 4.44Å; K68-Y92 HydrophobicContact CD-CD1 3.87Å; K68-Y92 HydrophobicContact CD-CE1 4.3Å; K68-Y92 HydrophobicContact CD-CG 4.35Å; K68-Y92 HydrophobicContact CG-CD1 3.7Å; K68-Y92 HydrophobicContact CG-CE1 4.38Å; K68-Y92 HydrophobicContact CG-CG 4.37Å; K68-F164 HydrophobicContact CB-CE1 3.84Å; K68-F164 HydrophobicContact CB-CZ 4.29Å; K68-F164 HydrophobicContact CD-CE1 3.83Å; K68-F164 HydrophobicContact CD-CZ 3.44Å; K68-F164 VanDerWaalsContact CD-CZ 3.44Å; K68-F164 HydrophobicContact CG-CE1 4.47Å; K68-F164 HydrophobicContact CG-CZ 4.49Å
69L93.1Very high88.6Confident0 Ų035.9 Ų35.90%020%0.203CC..EExtended strand (participates in β ladder)trans-126.4116.9175.7179.459000109.4L47 M49 L66 V71 L83 L90 Y92 L93 N94L47-L69 HydrophobicContact CB-CD1 3.99Å; L47-L69 HydrophobicContact CD2-CD1 3.86Å; L47-L69 HydrophobicContact CG-CD1 3.87Å; L47-L69 WeakPolarHBondContact O-CA 3.45Å; M49-L69 HydrophobicContact CE-CD1 4.08Å; L66-L69 HydrophobicContact CD2-CB 4.19Å; L66-L69 HydrophobicContact CD2-CD1 4.39Å; L69-V71 HydrophobicContact CD1-CG1 3.8Å; L69-V71 HydrophobicContact CD2-CG1 4.45Å; L69-V71 HydrophobicContact CG-CG1 3.99Å; L69-L83 HydrophobicContact CD2-CD1 4.23Å; L69-L83 HydrophobicContact CD2-CD2 3.52Å; L69-L90 HydrophobicContact CB-CD1 3.71Å; L69-L90 HydrophobicContact CB-CD2 4.37Å; L69-Y92 PolarHBondContact N-O 2.97Å; L69-L93 HydrophobicContact CB-CD1 4.06Å; L69-L93 HydrophobicContact CD2-CD1 3.91Å; L69-L93 HydrophobicContact CG-CD1 4.01Å; L69-L93 WeakPolarHBondContact O-CA 3.39Å; L69-N94 PolarHBondContact O-N 2.9Å
70E93.3Very high88.7Confident45 Ų4530.5 Ų30.521%0.2118%0.179CC..EExtended strand (participates in β ladder)trans-107119.5170.9-64.9-166.9-158.500109.7L47 M49 V50 K68 Y92 N94L47-E70 PolarHBondContact O-N 3.27Å; M49-E70 PolarHBondContact N-O 2.78Å; V50-E70 HydrophobicContact CG2-CB 4.33Å; K68-E70 WeakPolarHBondContact CE-OE1 3.2Å; K68-E70 IonicContact NZ-OE1 3.3Å; K68-E70 PolarHBondContact NZ-OE1 3.18Å; E70-Y92 HydrophobicContact CG-CE1 4.08Å; E70-N94 HydrophobicContact CG-CB 4.25Å
71V92.6Very high88.8Confident0 Ų034 Ų340%020%0.198CC..  trans-133.136.1178.3-70.30000110.5M49 L57 L69 N74 I76 L93 N94 L95 N98M49-V71 HydrophobicContact CB-CG1 4.33Å; M49-V71 HydrophobicContact CE-CG1 3.73Å; L57-V71 HydrophobicContact CD2-CG1 4.17Å; L69-V71 HydrophobicContact CD1-CG1 3.8Å; L69-V71 HydrophobicContact CD2-CG1 4.45Å; L69-V71 HydrophobicContact CG-CG1 3.99Å; V71-N74 VanDerWaalsContact C-ND2 3.25Å; V71-N74 PolarHBondContact O-ND2 3.08Å; V71-I76 HydrophobicContact CB-CD1 3.81Å; V71-I76 HydrophobicContact CG2-CD1 3.8Å; V71-L93 HydrophobicContact CG2-CD1 4.43Å; V71-N94 WeakPolarHBondContact CG2-O 3.48Å; V71-N94 PolarHBondContact N-O 2.87Å; V71-L95 HydrophobicContact CG2-CD2 3.54Å; V71-L95 HydrophobicContact CG2-CG 4.27Å; V71-N98 PolarHBondContact O-ND2 3.27Å
72S93.1Very high88.7Confident8 Ų834 Ų346%0.05620%0.198CC..  trans-64154.2-178.8-44.90000112.5V50 N51 N74 N94 S96V50-S72 WeakPolarHBondContact CA-O 3.4Å; N51-S72 PolarHBondContact N-O 2.93Å; S72-N74 VanDerWaalsContact C-N 3.32Å; S72-N74 PolarHBondContact O-N 3.34Å; S72-N74 PolarHBondContact O-ND2 3.05Å; S72-N74 VanDerWaalsContact O-ND2 3.08Å; S72-N94 PolarHBondContact OG-ND2 3.48Å; S72-N94 PolarHBondContact OG-OD1 3.34Å; S72-N94 VanDerWaalsContact OG-OD1 3.1Å; S72-S96 CarbonylContact C-O 3.13Å; S72-S96 WeakPolarHBondContact CA-O 3.39Å; S72-S96 VanDerWaalsContact CB-OG 3.31Å; S72-S96 WeakPolarHBondContact CB-OG 3.35Å; S72-S96 PolarHBondContact OG-OG 2.85Å; S72-S96 VanDerWaalsContact OG-OG 3.14Å
73D90.9Very high88.6Confident97 Ų9732.4 Ų32.452%0.51919%0.185SC..SBendtrans54.943.2177.7-65.1-50.1000113.6V50 N51 S96V50-D73 HydrophobicContact CG1-CB 4.46Å; N51-D73 VanDerWaalsContact CA-O 3.32Å; N51-D73 WeakPolarHBondContact CA-O 3.31Å; N51-D73 HydrophobicContact CB-CB 4.12Å; D73-S96 PolarHBondContact N-O 2.98Å
74N91.9Very high88.4Confident4 Ų433.2 Ų33.22%0.02119%0.191CC..SBendtrans-114.6-180173.8-74.2-72.2000111.1M49 V52 G53 L54 V71 S72 I76 N98M49-N74 PolarHBondContact O-ND2 3.3Å; V52-N74 PolarHBondContact N-OD1 3.29Å; G53-N74 PolarHBondContact N-OD1 3.09Å; L54-N74 HydrophobicContact CB-CB 4.11Å; L54-N74 PolarHBondContact N-OD1 3.43Å; V71-N74 VanDerWaalsContact C-ND2 3.25Å; V71-N74 PolarHBondContact O-ND2 3.08Å; S72-N74 VanDerWaalsContact C-N 3.32Å; S72-N74 PolarHBondContact O-N 3.34Å; S72-N74 PolarHBondContact O-ND2 3.05Å; S72-N74 VanDerWaalsContact O-ND2 3.08Å; N74-I76 HydrophobicContact CB-CD1 4.09Å; N74-I76 HydrophobicContact CB-CG1 3.98Å; N74-N98 WeakPolarHBondContact CA-OD1 3.23Å; N74-N98 WeakPolarHBondContact CB-OD1 3.5Å; N74-N98 WeakPolarHBondContact O-CA 3.4Å; N74-N98 PolarHBondContact O-OD1 3.13Å; N74-N98 VanDerWaalsContact O-OD1 3.12Å
75S90.6Very high88.4Confident59 Ų5937.5 Ų37.541%0.41321%0.206SC..  trans-101.829178.2-63.70000112.4L54 G55 S77L54-S75 CarbonylContact O-C 3.21Å; L54-S75 VanDerWaalsContact O-CA 3.24Å; L54-S75 WeakPolarHBondContact O-CA 3.39Å; L54-S75 PolarHBondContact O-N 2.92Å; G55-S75 WeakPolarHBondContact CA-O 3.29Å; S75-S77 PolarHBondContact O-N 3.36Å
76I89.7Confident88.3Confident0 Ų035 Ų350%020%0.195CC..  trans-69.2123.1-173.8-56.8165.8000109.2L54 G55 L57 V71 N74 G78 L95 N98 H99L54-I76 HydrophobicContact CB-CG1 4.23Å; L54-I76 PolarHBondContact O-N 2.97Å; L54-I76 VanDerWaalsContact O-N 3.17Å; G55-I76 WeakPolarHBondContact O-CA 3.17Å; L57-I76 HydrophobicContact CD1-CD1 4.07Å; L57-I76 HydrophobicContact CD2-CD1 3.93Å; L57-I76 HydrophobicContact CG-CD1 3.94Å; V71-I76 HydrophobicContact CB-CD1 3.81Å; V71-I76 HydrophobicContact CG2-CD1 3.8Å; N74-I76 HydrophobicContact CB-CD1 4.09Å; N74-I76 HydrophobicContact CB-CG1 3.98Å; I76-G78 WeakPolarHBondContact CG2-O 3.19Å; I76-L95 HydrophobicContact CD1-CD2 4.32Å; I76-N98 HydrophobicContact CB-CB 4.24Å; I76-N98 WeakPolarHBondContact CB-OD1 3.48Å; I76-N98 WeakPolarHBondContact CD1-OD1 3.46Å; I76-N98 VanDerWaalsContact CG1-OD1 3.23Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.49Å; I76-N98 PolarHBondContact N-OD1 2.61Å; I76-H99 CarbonylContact O-C 3.57Å; I76-H99 WeakPolarHBondContact O-CA 3.48Å; I76-H99 PolarHBondContact O-N 3.08Å
77S84.6Confident88.2Confident74 Ų7435 Ų3552%0.51720%0.195SC..  trans-118-10.4177.854.50000113.3G55 S75G55-S77 PolarHBondContact O-N 2.84Å; S75-S77 PolarHBondContact O-N 3.36Å
78G80.4Confident88Confident22 Ų2236 Ų3623%0.22721%0.207CC..BIsolated β-bridgetrans-172.2-165.3-179.200000112.9I76I76-G78 WeakPolarHBondContact CG2-O 3.19Å
79G79.4Confident87.8Confident15 Ų1537.7 Ų37.716%0.15522%0.218CC..  trans80.916.9-179.500000114.6D81 T82G79-D81 VanDerWaalsContact CA-OD1 3.3Å; G79-D81 WeakPolarHBondContact CA-OD1 3.38Å; G79-D81 PolarHBondContact O-N 3.43Å; G79-T82 PolarHBondContact O-N 3.01Å
80L84.9Confident87.7Confident2 Ų237.7 Ų37.71%0.0122%0.218CC..Hα-helixtrans-72.9-18.4177-61.5-178000112.4L57 T82 L83 A84 L95 I100 S105 L106 L109L57-L80 HydrophobicContact CD1-CD2 4.32Å; L80-T82 VanDerWaalsContact C-N 3.26Å; L80-T82 PolarHBondContact O-N 3.27Å; L80-L83 HydrophobicContact CD2-CD1 3.72Å; L80-L83 WeakPolarHBondContact O-CB 3.46Å; L80-L83 PolarHBondContact O-N 2.93Å; L80-A84 PolarHBondContact O-N 3.09Å; L80-L95 HydrophobicContact CD1-CD1 4.09Å; L80-L95 HydrophobicContact CD2-CD1 3.98Å; L80-L95 HydrophobicContact CD2-CD2 4.06Å; L80-I100 HydrophobicContact CD1-CD1 4.35Å; L80-S105 WeakPolarHBondContact CD1-O 3.14Å; L80-L106 HydrophobicContact CD1-CD2 3.95Å; L80-L109 HydrophobicContact CB-CD2 4.05Å; L80-L109 HydrophobicContact CB-CG 4.42Å; L80-L109 HydrophobicContact CD1-CD1 4.15Å; L80-L109 HydrophobicContact CD1-CD2 4.33Å; L80-L109 HydrophobicContact CD1-CG 4.21Å
81D86.1Confident87.6Confident77 Ų7736.1 Ų36.141%0.41221%0.212SC..Hα-helixtrans-57-39.8169.952.9-79.2000112.3G79 L83 A84 E85 P108G79-D81 VanDerWaalsContact CA-OD1 3.3Å; G79-D81 WeakPolarHBondContact CA-OD1 3.38Å; G79-D81 PolarHBondContact O-N 3.43Å; D81-L83 VanDerWaalsContact C-N 3.27Å; D81-L83 PolarHBondContact O-N 2.81Å; D81-A84 WeakPolarHBondContact O-CB 3.46Å; D81-A84 PolarHBondContact O-N 3.14Å; D81-A84 VanDerWaalsContact O-N 3.15Å; D81-E85 PolarHBondContact O-N 2.57Å; D81-P108 VanDerWaalsContact CA-CB 3.44Å; D81-P108 HydrophobicContact CB-CB 3.92Å; D81-P108 HydrophobicContact CB-CG 4.16Å
82T85.4Confident87.6Confident13 Ų1338.3 Ų38.38%0.0822%0.221CC..Hα-helixtrans-65-34.2178.6-57.70000110.9G79 L80 A84 E85 K86G79-T82 PolarHBondContact O-N 3.01Å; L80-T82 VanDerWaalsContact C-N 3.26Å; L80-T82 PolarHBondContact O-N 3.27Å; T82-A84 VanDerWaalsContact C-N 3.32Å; T82-A84 PolarHBondContact O-N 3.16Å; T82-E85 PolarHBondContact O-N 2.89Å; T82-K86 HydrophobicContact CG2-CG 3.61Å; T82-K86 WeakPolarHBondContact O-CB 3.32Å; T82-K86 WeakPolarHBondContact O-CG 3.44Å; T82-K86 PolarHBondContact O-N 3.1Å
83L86Confident87.6Confident0 Ų038 Ų380%022%0.218CC..Hα-helixtrans-62.2-41175.4-66.6178.7000111.9L57 L60 L69 L80 D81 E85 K86 C87 L93 L112L57-L83 HydrophobicContact CD1-CD1 3.76Å; L57-L83 HydrophobicContact CD1-CD2 4.07Å; L57-L83 HydrophobicContact CD1-CG 4.05Å; L60-L83 HydrophobicContact CD1-CD2 4Å; L69-L83 HydrophobicContact CD2-CD1 4.23Å; L69-L83 HydrophobicContact CD2-CD2 3.52Å; L80-L83 HydrophobicContact CD2-CD1 3.72Å; L80-L83 WeakPolarHBondContact O-CB 3.46Å; L80-L83 PolarHBondContact O-N 2.93Å; D81-L83 VanDerWaalsContact C-N 3.27Å; D81-L83 PolarHBondContact O-N 2.81Å; L83-E85 VanDerWaalsContact C-N 3.3Å; L83-E85 PolarHBondContact O-N 3.37Å; L83-K86 PolarHBondContact O-N 3.25Å; L83-C87 WeakPolarHBondContact O-CA 3.27Å; L83-C87 WeakPolarHBondContact O-CB 3.43Å; L83-C87 PolarHBondContact O-N 3.49Å; L83-L93 HydrophobicContact CD1-CD1 4.25Å; L83-L93 HydrophobicContact CD1-CD2 4.03Å; L83-L112 HydrophobicContact CB-CD1 4.47Å
84A84.2Confident87.7Confident17 Ų1734.2 Ų34.214%0.1420%0.198CC..Hα-helixtrans-61.5-38177.800000112.9L80 D81 T82 N111 L112L80-A84 PolarHBondContact O-N 3.09Å; D81-A84 WeakPolarHBondContact O-CB 3.46Å; D81-A84 PolarHBondContact O-N 3.14Å; D81-A84 VanDerWaalsContact O-N 3.15Å; T82-A84 VanDerWaalsContact C-N 3.32Å; T82-A84 PolarHBondContact O-N 3.16Å; A84-N111 HydrophobicContact CB-CB 3.71Å; A84-L112 HydrophobicContact CB-CG 4.35Å
85E85.8Confident87.7Confident153 Ų15334 Ų3472%0.71520%0.197SC*.Hα-helixtrans-80-39.2179.3-65.3-172.617000112.9D81 T82 L83D81-E85 PolarHBondContact O-N 2.57Å; T82-E85 PolarHBondContact O-N 2.89Å; L83-E85 VanDerWaalsContact C-N 3.3Å; L83-E85 PolarHBondContact O-N 3.37Å
86K86.9Confident87.8Confident66 Ų6632.2 Ų32.229%0.28718%0.184SC..Hα-helixtrans-91.4-28.7-169.2-61.3-61.3-177.2-176.70113.7A62 L63 T82 L83 P88A62-K86 HydrophobicContact CB-CD 4.01Å; L63-K86 CarbonylContact C-O 3.46Å; L63-K86 PolarHBondContact N-O 2.69Å; T82-K86 HydrophobicContact CG2-CG 3.61Å; T82-K86 WeakPolarHBondContact O-CB 3.32Å; T82-K86 WeakPolarHBondContact O-CG 3.44Å; T82-K86 PolarHBondContact O-N 3.1Å; L83-K86 PolarHBondContact O-N 3.25Å; K86-P88 WeakPolarHBondContact O-CD 3.27Å
87C89.9Confident87.8Confident0 Ų033 Ų330%019%0.192CC..  trans-127.566-172.4-590000112.1L83 N89 L90 L112L83-C87 WeakPolarHBondContact O-CA 3.27Å; L83-C87 WeakPolarHBondContact O-CB 3.43Å; L83-C87 PolarHBondContact O-N 3.49Å; C87-N89 PolarHBondContact O-N 3.31Å; C87-L90 HydrophobicContact CB-CB 4.29Å; C87-L90 WeakPolarHBondContact O-CB 3.44Å; C87-L90 PolarHBondContact O-N 3.32Å; C87-L112 VanDerWaalsContact O-CD2 3.23Å; C87-L112 WeakPolarHBondContact O-CD2 3.49Å
88P87Confident88.2Confident61 Ų6129.7 Ų29.740%0.39617%0.169SC..THydrogen-bonded Turntrans-66.9-19.8-172.627.4-36.8000114.9K86 N114K86-P88 WeakPolarHBondContact O-CD 3.27Å; P88-N114 PolarHBondContact O-ND2 2.8Å
89N88.4Confident88.6Confident79 Ų7933.6 Ų33.642%0.42218%0.181SC..THydrogen-bonded Turntrans-99.912.9-179.3-69.8-48.3000113.4P64 L66 C87 S91 N114P64-N89 PolarHBondContact O-ND2 2.87Å; L66-N89 CarbonylContact O-C 3.13Å; C87-N89 PolarHBondContact O-N 3.31Å; N89-S91 PolarHBondContact O-N 2.93Å; N89-N114 PolarHBondContact OD1-ND2 3.44Å
90L90.9Very high89Confident0 Ų033 Ų330%017%0.174CC..  trans-63.7128.1178.7-165.171.2000110.3L66 L69 C87 L93 L112 N114 L115L66-L90 HydrophobicContact CD2-CD1 4.16Å; L66-L90 HydrophobicContact CG-CD1 4.18Å; L66-L90 WeakPolarHBondContact O-CA 3.46Å; L66-L90 PolarHBondContact O-N 2.87Å; L69-L90 HydrophobicContact CB-CD1 3.71Å; L69-L90 HydrophobicContact CB-CD2 4.37Å; C87-L90 HydrophobicContact CB-CB 4.29Å; C87-L90 WeakPolarHBondContact O-CB 3.44Å; C87-L90 PolarHBondContact O-N 3.32Å; L90-L93 HydrophobicContact CD2-CB 4.05Å; L90-L93 HydrophobicContact CD2-CD1 4.26Å; L90-L93 HydrophobicContact CD2-CD2 4.34Å; L90-L93 HydrophobicContact CD2-CG 4.46Å; L90-L112 HydrophobicContact CB-CD2 4.4Å; L90-L112 HydrophobicContact CD2-CD1 4.25Å; L90-N114 CarbonylContact O-C 3.5Å; L90-L115 HydrophobicContact CD2-CD1 4.48Å; L90-L115 HydrophobicContact CG-CD1 4.47Å; L90-L115 WeakPolarHBondContact O-CA 3.32Å; L90-L115 PolarHBondContact O-N 3.04Å; L90-L115 VanDerWaalsContact O-N 3.13Å
91S91.4Very high89Confident11 Ų1140.4 Ų40.48%0.07721%0.206CC..  trans-116.4-29-176.761.90000113.6R67 N89 N114 K116 S117R67-S91 WeakPolarHBondContact O-CA 3.49Å; R67-S91 PolarHBondContact O-N 3.41Å; R67-S91 PolarHBondContact O-OG 3.38Å; N89-S91 PolarHBondContact O-N 2.93Å; S91-N114 WeakPolarHBondContact CA-O 3.24Å; S91-K116 PolarHBondContact O-N 2.86Å; S91-S117 PolarHBondContact O-N 3.31Å
92Y92Very high89Confident47 Ų4742.5 Ų42.518%0.18421%0.213CC..EExtended strand (participates in β ladder)trans-130.2127.7178.5178.9-81.7000109.1R67 K68 L69 E70 N94 S117 D119R67-Y92 PolarHBondContact O-N 3.14Å; K68-Y92 WeakPolarHBondContact CA-O 3.34Å; K68-Y92 HydrophobicContact CB-CD1 4.44Å; K68-Y92 HydrophobicContact CD-CD1 3.87Å; K68-Y92 HydrophobicContact CD-CE1 4.3Å; K68-Y92 HydrophobicContact CD-CG 4.35Å; K68-Y92 HydrophobicContact CG-CD1 3.7Å; K68-Y92 HydrophobicContact CG-CE1 4.38Å; K68-Y92 HydrophobicContact CG-CG 4.37Å; L69-Y92 PolarHBondContact N-O 2.97Å; E70-Y92 HydrophobicContact CG-CE1 4.08Å; Y92-N94 HydrophobicContact CE1-CB 3.76Å; Y92-N94 PolarHBondContact OH-ND2 3.13Å; Y92-S117 WeakPolarHBondContact CA-O 3.35Å; Y92-S117 VanDerWaalsContact CD2-CB 3.47Å; Y92-S117 WeakPolarHBondContact CD2-OG 3.47Å; Y92-D119 VanDerWaalsContact CZ-OD2 3.23Å; Y92-D119 PolarHBondContact OH-OD2 3.09Å
93L92.8Very high88.9Confident0 Ų044.7 Ų44.70%022%0.224CC..EExtended strand (participates in β ladder)trans-132.9119.5177177.457.1000109.7L69 V71 L83 L90 L95 L109 L115 S117 L118 D119L69-L93 HydrophobicContact CB-CD1 4.06Å; L69-L93 HydrophobicContact CD2-CD1 3.91Å; L69-L93 HydrophobicContact CG-CD1 4.01Å; L69-L93 WeakPolarHBondContact O-CA 3.39Å; V71-L93 HydrophobicContact CG2-CD1 4.43Å; L83-L93 HydrophobicContact CD1-CD1 4.25Å; L83-L93 HydrophobicContact CD1-CD2 4.03Å; L90-L93 HydrophobicContact CD2-CB 4.05Å; L90-L93 HydrophobicContact CD2-CD1 4.26Å; L90-L93 HydrophobicContact CD2-CD2 4.34Å; L90-L93 HydrophobicContact CD2-CG 4.46Å; L93-L95 HydrophobicContact CD1-CD1 4.47Å; L93-L95 HydrophobicContact CD1-CG 4.08Å; L93-L95 HydrophobicContact CD2-CD1 3.68Å; L93-L95 HydrophobicContact CD2-CG 4.19Å; L93-L95 HydrophobicContact CG-CD1 3.95Å; L93-L95 HydrophobicContact CG-CG 3.93Å; L93-L109 HydrophobicContact CD2-CD1 4.29Å; L93-L109 HydrophobicContact CD2-CD2 3.8Å; L93-L115 HydrophobicContact CB-CD1 3.73Å; L93-S117 PolarHBondContact N-O 2.95Å; L93-L118 HydrophobicContact CB-CD1 4.1Å; L93-L118 HydrophobicContact CD2-CD1 4.03Å; L93-L118 HydrophobicContact CG-CD1 4.03Å; L93-L118 WeakPolarHBondContact O-CA 3.46Å; L93-D119 PolarHBondContact O-N 3.45Å
94N93.2Very high88.8Confident19 Ų1947.7 Ų47.710%0.10225%0.245CC..EExtended strand (participates in β ladder)trans-107.4113.3172.4-170-19.1000110.1L69 E70 V71 S72 Y92 S96 D119L69-N94 PolarHBondContact O-N 2.9Å; E70-N94 HydrophobicContact CG-CB 4.25Å; V71-N94 WeakPolarHBondContact CG2-O 3.48Å; V71-N94 PolarHBondContact N-O 2.87Å; S72-N94 PolarHBondContact OG-ND2 3.48Å; S72-N94 PolarHBondContact OG-OD1 3.34Å; S72-N94 VanDerWaalsContact OG-OD1 3.1Å; Y92-N94 HydrophobicContact CE1-CB 3.76Å; Y92-N94 PolarHBondContact OH-ND2 3.13Å; N94-S96 WeakPolarHBondContact OD1-CB 3.29Å; N94-S96 PolarHBondContact OD1-N 2.98Å; N94-S96 PolarHBondContact OD1-OG 3.08Å; N94-D119 HydrophobicContact CB-CB 4.25Å
95L91.8Very high88.9Confident0 Ų048.4 Ų48.40%025%0.25CC..  trans-112.517.1177.3-75.4164.2000111.2V71 I76 L80 L93 N98 I100 L118 D119 L120 C123V71-L95 HydrophobicContact CG2-CD2 3.54Å; V71-L95 HydrophobicContact CG2-CG 4.27Å; I76-L95 HydrophobicContact CD1-CD2 4.32Å; L80-L95 HydrophobicContact CD1-CD1 4.09Å; L80-L95 HydrophobicContact CD2-CD1 3.98Å; L80-L95 HydrophobicContact CD2-CD2 4.06Å; L93-L95 HydrophobicContact CD1-CD1 4.47Å; L93-L95 HydrophobicContact CD1-CG 4.08Å; L93-L95 HydrophobicContact CD2-CD1 3.68Å; L93-L95 HydrophobicContact CD2-CG 4.19Å; L93-L95 HydrophobicContact CG-CD1 3.95Å; L93-L95 HydrophobicContact CG-CG 3.93Å; L95-N98 VanDerWaalsContact C-ND2 3.27Å; L95-N98 VanDerWaalsContact O-CB 3.29Å; L95-N98 WeakPolarHBondContact O-CB 3.39Å; L95-N98 PolarHBondContact O-N 3Å; L95-N98 PolarHBondContact O-ND2 3.42Å; L95-I100 HydrophobicContact CB-CD1 4.05Å; L95-I100 HydrophobicContact CD1-CD1 3.85Å; L95-I100 HydrophobicContact CD2-CD1 4.25Å; L95-I100 HydrophobicContact CG-CD1 4.29Å; L95-L118 HydrophobicContact CD1-CD1 4.2Å; L95-D119 CarbonylContact C-O 3.52Å; L95-D119 WeakPolarHBondContact CA-O 3.13Å; L95-D119 PolarHBondContact N-O 3.33Å; L95-L120 HydrophobicContact CB-CD2 3.98Å; L95-L120 HydrophobicContact CD1-CD2 4.14Å; L95-C123 PolarHBondContact O-SG 3.01Å
96S92.8Very high89Confident21 Ų2141.1 Ų41.115%0.14722%0.215CC..THydrogen-bonded Turntrans-57.8148.5-178.960.70000113S72 D73 N94 N98 D119 Y121S72-S96 CarbonylContact C-O 3.13Å; S72-S96 WeakPolarHBondContact CA-O 3.39Å; S72-S96 VanDerWaalsContact CB-OG 3.31Å; S72-S96 WeakPolarHBondContact CB-OG 3.35Å; S72-S96 PolarHBondContact OG-OG 2.85Å; S72-S96 VanDerWaalsContact OG-OG 3.14Å; D73-S96 PolarHBondContact N-O 2.98Å; N94-S96 WeakPolarHBondContact OD1-CB 3.29Å; N94-S96 PolarHBondContact OD1-N 2.98Å; N94-S96 PolarHBondContact OD1-OG 3.08Å; S96-N98 PolarHBondContact O-N 2.96Å; S96-N98 PolarHBondContact O-ND2 3.23Å; S96-N98 VanDerWaalsContact O-ND2 3.16Å; S96-D119 PolarHBondContact N-O 3.17Å; S96-Y121 CarbonylContact C-O 3.1Å; S96-Y121 WeakPolarHBondContact CA-O 3.35Å; S96-Y121 VanDerWaalsContact CB-O 3.29Å; S96-Y121 WeakPolarHBondContact CB-O 3.47Å
97G88.9Confident89Confident16 Ų1643.1 Ų43.117%0.16523%0.226CC..THydrogen-bonded Turntrans66.218.6179.900000114.8Y121G97-Y121 PolarHBondContact N-O 2.85Å
98N93Very high88.9Confident4 Ų444.7 Ų44.72%0.02124%0.236CC..  trans-97.4169.5176.5-76.4-81000113.5V71 N74 I76 L95 S96 I100 C123V71-N98 PolarHBondContact O-ND2 3.27Å; N74-N98 WeakPolarHBondContact CA-OD1 3.23Å; N74-N98 WeakPolarHBondContact CB-OD1 3.5Å; N74-N98 WeakPolarHBondContact O-CA 3.4Å; N74-N98 PolarHBondContact O-OD1 3.13Å; N74-N98 VanDerWaalsContact O-OD1 3.12Å; I76-N98 HydrophobicContact CB-CB 4.24Å; I76-N98 WeakPolarHBondContact CB-OD1 3.48Å; I76-N98 WeakPolarHBondContact CD1-OD1 3.46Å; I76-N98 VanDerWaalsContact CG1-OD1 3.23Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.49Å; I76-N98 PolarHBondContact N-OD1 2.61Å; L95-N98 VanDerWaalsContact C-ND2 3.27Å; L95-N98 VanDerWaalsContact O-CB 3.29Å; L95-N98 WeakPolarHBondContact O-CB 3.39Å; L95-N98 PolarHBondContact O-N 3Å; L95-N98 PolarHBondContact O-ND2 3.42Å; S96-N98 PolarHBondContact O-N 2.96Å; S96-N98 PolarHBondContact O-ND2 3.23Å; S96-N98 VanDerWaalsContact O-ND2 3.16Å; N98-I100 VanDerWaalsContact C-N 3.29Å; N98-I100 HydrophobicContact CB-CG1 4.31Å; N98-I100 PolarHBondContact O-N 3.42Å; N98-C123 WeakPolarHBondContact O-CA 3.26Å
99H88.7Confident89Confident105 Ų10541.8 Ų41.849%0.48622%0.217SC..  trans-93.537.1-175-69.572.9000113.1I76 K101I76-H99 CarbonylContact O-C 3.57Å; I76-H99 WeakPolarHBondContact O-CA 3.48Å; I76-H99 PolarHBondContact O-N 3.08Å; H99-K101 PolarHBondContact O-N 3.23Å
100I88.1Confident89Confident1 Ų142 Ų421%0.00522%0.216CC..  trans-79.4105.7178-56.1174.9000108.7L80 L95 N98 L106 L120 C123 G124 V125L80-I100 HydrophobicContact CD1-CD1 4.35Å; L95-I100 HydrophobicContact CB-CD1 4.05Å; L95-I100 HydrophobicContact CD1-CD1 3.85Å; L95-I100 HydrophobicContact CD2-CD1 4.25Å; L95-I100 HydrophobicContact CG-CD1 4.29Å; N98-I100 VanDerWaalsContact C-N 3.29Å; N98-I100 HydrophobicContact CB-CG1 4.31Å; N98-I100 PolarHBondContact O-N 3.42Å; I100-L106 HydrophobicContact CD1-CD2 4.36Å; I100-L106 HydrophobicContact CG2-CD2 4.23Å; I100-L106 HydrophobicContact CG2-CG 4.47Å; I100-L120 HydrophobicContact CD1-CD2 4.19Å; I100-C123 HydrophobicContact CB-CB 4.34Å; I100-G124 CarbonylContact O-C 3.37Å; I100-G124 VanDerWaalsContact O-CA 3.3Å; I100-G124 WeakPolarHBondContact O-CA 3.42Å; I100-G124 PolarHBondContact O-N 2.68Å; I100-V125 PolarHBondContact O-N 2.91Å
101K85.9Confident88.8Confident158 Ų15847.6 Ų47.669%0.68725%0.245SC*.  trans-95.5-31.1-177.2-64.7-178.7-178.2178.90113.8H99H99-K101 PolarHBondContact O-N 3.23Å
102E84.9Confident88.7Confident121 Ų12147.1 Ų47.157%0.56524%0.242SC*.  trans-115.6141.9-171.9-64.2-175.6-167.400111.8S104 S105E102-S104 PolarHBondContact O-N 3.32Å; E102-S105 WeakPolarHBondContact O-CB 3.15Å; E102-S105 PolarHBondContact O-N 2.93Å
103L84.3Confident88.5Confident59 Ų5953.3 Ų53.331%0.30927%0.27SS..G310 helixtrans-60.8-29.4170.5-74163.7000112.1S105 L106 V125 A134 V135L103-S105 PolarHBondContact O-N 3.29Å; L103-L106 HydrophobicContact CD2-CD1 4.28Å; L103-L106 WeakPolarHBondContact O-CB 3.29Å; L103-L106 PolarHBondContact O-N 3.06Å; L103-V125 HydrophobicContact CD2-CG2 3.75Å; L103-V125 HydrophobicContact CG-CG2 3.9Å; L103-A134 HydrophobicContact CD1-CB 3.67Å; L103-A134 HydrophobicContact CD2-CB 4.17Å; L103-V135 HydrophobicContact CD2-CG2 3.73Å
104S84.9Confident88.2Confident63 Ų6356.8 Ų56.844%0.44129%0.289SS..G310 helixtrans-55.7-36.7175.9-50.40000112E102 L106 Q107E102-S104 PolarHBondContact O-N 3.32Å; S104-L106 PolarHBondContact O-N 2.75Å; S104-Q107 VanDerWaalsContact O-CB 3.3Å; S104-Q107 WeakPolarHBondContact O-CB 3.08Å; S104-Q107 WeakPolarHBondContact O-CG 3.36Å; S104-Q107 PolarHBondContact O-N 3.03Å; S104-Q107 VanDerWaalsContact O-N 3.1Å
105S85.8Confident88.1Confident33 Ų3355.9 Ų55.923%0.23128%0.284CS..G310 helixtrans-63.3-24.2178.1-60.20000112.8L80 E102 L103 P108L80-S105 WeakPolarHBondContact CD1-O 3.14Å; E102-S105 WeakPolarHBondContact O-CB 3.15Å; E102-S105 PolarHBondContact O-N 2.93Å; L103-S105 PolarHBondContact O-N 3.29Å; S105-P108 VanDerWaalsContact O-CD 3.23Å; S105-P108 WeakPolarHBondContact O-CD 3.19Å
106L86.7Confident88Confident0 Ų059.4 Ų59.40%030%0.299CS..G310 helixtrans-86.7-12.7178.3-57175.2000113.1L80 I100 L103 S104 P108 L109 L120 V135 L138L80-L106 HydrophobicContact CD1-CD2 3.95Å; I100-L106 HydrophobicContact CD1-CD2 4.36Å; I100-L106 HydrophobicContact CG2-CD2 4.23Å; I100-L106 HydrophobicContact CG2-CG 4.47Å; L103-L106 HydrophobicContact CD2-CD1 4.28Å; L103-L106 WeakPolarHBondContact O-CB 3.29Å; L103-L106 PolarHBondContact O-N 3.06Å; S104-L106 PolarHBondContact O-N 2.75Å; L106-P108 VanDerWaalsContact C-N 3.3Å; L106-L109 HydrophobicContact CB-CD1 4.34Å; L106-L109 HydrophobicContact CD2-CD1 3.79Å; L106-L109 VanDerWaalsContact O-CB 3.26Å; L106-L109 WeakPolarHBondContact O-CB 3.4Å; L106-L109 PolarHBondContact O-N 3.16Å; L106-L120 HydrophobicContact CD1-CD1 3.6Å; L106-L120 HydrophobicContact CD2-CD1 4.3Å; L106-L120 HydrophobicContact CD2-CD2 3.94Å; L106-V135 HydrophobicContact CD1-CG2 3.98Å; L106-L138 HydrophobicContact CB-CD2 3.99Å
107Q88.1Confident87.9Confident107 Ų10758.9 Ų58.950%0.530%0.295SS..G310 helixtrans-51-41.4178.4-75.4-174.7-34.400114.1S104 L109 Q110 L138S104-Q107 VanDerWaalsContact O-CB 3.3Å; S104-Q107 WeakPolarHBondContact O-CB 3.08Å; S104-Q107 WeakPolarHBondContact O-CG 3.36Å; S104-Q107 PolarHBondContact O-N 3.03Å; S104-Q107 VanDerWaalsContact O-N 3.1Å; Q107-L109 PolarHBondContact O-N 3.45Å; Q107-Q110 VanDerWaalsContact O-CB 3.23Å; Q107-Q110 WeakPolarHBondContact O-CB 3.15Å; Q107-Q110 VanDerWaalsContact O-CG 3.25Å; Q107-Q110 WeakPolarHBondContact O-CG 3.47Å; Q107-Q110 PolarHBondContact O-N 2.87Å; Q107-L138 HydrophobicContact CG-CD1 4.15Å; Q107-L138 HydrophobicContact CG-CD2 4.34Å
108P88.3Confident88.1Confident33 Ų3358.1 Ų58.121%0.21429%0.287CS..G310 helixtrans-63.5-23.9-180-19.332.2000113.6D81 S105 L106 Q110 N111D81-P108 VanDerWaalsContact CA-CB 3.44Å; D81-P108 HydrophobicContact CB-CB 3.92Å; D81-P108 HydrophobicContact CB-CG 4.16Å; S105-P108 VanDerWaalsContact O-CD 3.23Å; S105-P108 WeakPolarHBondContact O-CD 3.19Å; L106-P108 VanDerWaalsContact C-N 3.3Å; P108-Q110 PolarHBondContact O-N 3.4Å; P108-N111 PolarHBondContact O-N 2.77Å
109L87.9Confident88.1Confident0 Ų058.8 Ų58.80%029%0.291CS..G310 helixtrans-65.3-17.4175.8-57.3178000112.4L80 L93 L106 Q107 N111 L112 L115 L118 L139 Q141L80-L109 HydrophobicContact CB-CD2 4.05Å; L80-L109 HydrophobicContact CB-CG 4.42Å; L80-L109 HydrophobicContact CD1-CD1 4.15Å; L80-L109 HydrophobicContact CD1-CD2 4.33Å; L80-L109 HydrophobicContact CD1-CG 4.21Å; L93-L109 HydrophobicContact CD2-CD1 4.29Å; L93-L109 HydrophobicContact CD2-CD2 3.8Å; L106-L109 HydrophobicContact CB-CD1 4.34Å; L106-L109 HydrophobicContact CD2-CD1 3.79Å; L106-L109 VanDerWaalsContact O-CB 3.26Å; L106-L109 WeakPolarHBondContact O-CB 3.4Å; L106-L109 PolarHBondContact O-N 3.16Å; Q107-L109 PolarHBondContact O-N 3.45Å; L109-N111 PolarHBondContact O-N 2.87Å; L109-N111 VanDerWaalsContact O-N 3.15Å; L109-L112 HydrophobicContact CD2-CD1 3.72Å; L109-L112 WeakPolarHBondContact O-CB 3.23Å; L109-L112 PolarHBondContact O-N 3.29Å; L109-L115 HydrophobicContact CB-CD2 4.47Å; L109-L118 HydrophobicContact CD1-CD1 4.33Å; L109-L118 HydrophobicContact CD1-CD2 4.22Å; L109-L139 HydrophobicContact CB-CD1 4.1Å; L109-L139 HydrophobicContact CB-CD2 3.88Å; L109-L139 HydrophobicContact CD1-CD1 4.24Å; L109-Q141 PolarHBondContact O-NE2 3.09Å
110Q88.5Confident88.1Confident84 Ų8453.8 Ų53.839%0.39327%0.268SS..G310 helixtrans-57-30174-7217921.400112.8Q107 P108 L112 L138 L139 Q141Q107-Q110 VanDerWaalsContact O-CB 3.23Å; Q107-Q110 WeakPolarHBondContact O-CB 3.15Å; Q107-Q110 VanDerWaalsContact O-CG 3.25Å; Q107-Q110 WeakPolarHBondContact O-CG 3.47Å; Q107-Q110 PolarHBondContact O-N 2.87Å; P108-Q110 PolarHBondContact O-N 3.4Å; Q110-L112 VanDerWaalsContact C-N 3.26Å; Q110-L112 PolarHBondContact O-N 2.85Å; Q110-L138 VanDerWaalsContact CG-O 3.24Å; Q110-L138 WeakPolarHBondContact CG-O 3.21Å; Q110-L138 PolarHBondContact NE2-O 3.44Å; Q110-L139 HydrophobicContact CB-CD2 4.22Å; Q110-L139 HydrophobicContact CG-CD2 3.56Å; Q110-L139 VanDerWaalsContact N-CD2 3.34Å; Q110-Q141 PolarHBondContact O-NE2 3.29Å
111N87.6Confident88.2Confident117 Ų11761.8 Ų61.863%0.62630%0.299SS*.G310 helixtrans-73.9-18.5179.2-68.7-38.6000112.6A84 P108 L109 K113A84-N111 HydrophobicContact CB-CB 3.71Å; P108-N111 PolarHBondContact O-N 2.77Å; L109-N111 PolarHBondContact O-N 2.87Å; L109-N111 VanDerWaalsContact O-N 3.15Å; N111-K113 PolarHBondContact O-N 2.81Å
112L88.9Confident88.3Confident1 Ų158 Ų581%0.00529%0.293CS..  trans-79.885.7175-65.6171.3000109.9L83 A84 C87 L90 L109 Q110 N114 L115 Q141L83-L112 HydrophobicContact CB-CD1 4.47Å; A84-L112 HydrophobicContact CB-CG 4.35Å; C87-L112 VanDerWaalsContact O-CD2 3.23Å; C87-L112 WeakPolarHBondContact O-CD2 3.49Å; L90-L112 HydrophobicContact CB-CD2 4.4Å; L90-L112 HydrophobicContact CD2-CD1 4.25Å; L109-L112 HydrophobicContact CD2-CD1 3.72Å; L109-L112 WeakPolarHBondContact O-CB 3.23Å; L109-L112 PolarHBondContact O-N 3.29Å; Q110-L112 VanDerWaalsContact C-N 3.26Å; Q110-L112 PolarHBondContact O-N 2.85Å; L112-N114 PolarHBondContact O-N 2.96Å; L112-L115 HydrophobicContact CB-CB 3.91Å; L112-L115 HydrophobicContact CD1-CD2 4.41Å; L112-L115 WeakPolarHBondContact O-CB 3.42Å; L112-L115 PolarHBondContact O-N 3.3Å; L112-Q141 PolarHBondContact O-NE2 3.15Å
113K86.4Confident88.4Confident178 Ų17852.5 Ų52.577%0.77427%0.267SS*.THydrogen-bonded Turntrans-67.3-21.5-177.8-61.6-175.9-179.3-178.80114.1N111N111-K113 PolarHBondContact O-N 2.81Å
114N88.1Confident88.5Confident73 Ų7351.5 Ų51.539%0.3927%0.272SS..THydrogen-bonded Turntrans-93-4.5-178.8-68.8-57.3000113.3P88 N89 L90 S91 L112 K116P88-N114 PolarHBondContact O-ND2 2.8Å; N89-N114 PolarHBondContact OD1-ND2 3.44Å; L90-N114 CarbonylContact O-C 3.5Å; S91-N114 WeakPolarHBondContact CA-O 3.24Å; L112-N114 PolarHBondContact O-N 2.96Å; N114-K116 PolarHBondContact O-N 3.13Å
115L90.9Very high88.5Confident0 Ų048.7 Ų48.70%025%0.252CS..  trans-71.5117.8-177.6-172.968.9000109.7L90 L93 L109 L112 Q141 V142L90-L115 HydrophobicContact CD2-CD1 4.48Å; L90-L115 HydrophobicContact CG-CD1 4.47Å; L90-L115 WeakPolarHBondContact O-CA 3.32Å; L90-L115 PolarHBondContact O-N 3.04Å; L90-L115 VanDerWaalsContact O-N 3.13Å; L93-L115 HydrophobicContact CB-CD1 3.73Å; L109-L115 HydrophobicContact CB-CD2 4.47Å; L112-L115 HydrophobicContact CB-CB 3.91Å; L112-L115 HydrophobicContact CD1-CD2 4.41Å; L112-L115 WeakPolarHBondContact O-CB 3.42Å; L112-L115 PolarHBondContact O-N 3.3Å; L115-Q141 CarbonylContact O-C 3.4Å; L115-Q141 WeakPolarHBondContact O-CG 3.4Å; L115-Q141 VanDerWaalsContact O-O 3.09Å; L115-V142 HydrophobicContact CD2-CG2 4.15Å; L115-V142 HydrophobicContact CG-CG2 4.31Å
116K90.3Very high88.5Confident74 Ų7449.1 Ų49.132%0.32225%0.253SS..  trans-112.4-33.2-177.6-63.5-176.3-174.5-177.50112.7S91 N114 V143 Y144 W163S91-K116 PolarHBondContact O-N 2.86Å; N114-K116 PolarHBondContact O-N 3.13Å; K116-V143 HydrophobicContact CB-CG2 4.43Å; K116-V143 PolarHBondContact O-N 3.05Å; K116-Y144 PolarHBondContact O-N 3.44Å; K116-W163 HydrophobicContact CD-CD2 4.29Å; K116-W163 HydrophobicContact CD-CE3 3.64Å; K116-W163 HydrophobicContact CD-CH2 3.7Å; K116-W163 HydrophobicContact CD-CZ2 4.32Å; K116-W163 HydrophobicContact CD-CZ3 3.34Å
117S90.7Very high88.4Confident9 Ų953.2 Ų53.26%0.06329%0.287CS..EExtended strand (participates in β ladder)trans-123.9129.8-178.5-165.30000109.7S91 Y92 L93 Y144S91-S117 PolarHBondContact O-N 3.31Å; Y92-S117 WeakPolarHBondContact CA-O 3.35Å; Y92-S117 VanDerWaalsContact CD2-CB 3.47Å; Y92-S117 WeakPolarHBondContact CD2-OG 3.47Å; L93-S117 PolarHBondContact N-O 2.95Å; S117-Y144 WeakPolarHBondContact CA-O 3.44Å
118L92.5Very high88.3Confident0 Ų050.4 Ų50.40%028%0.282CS..EExtended strand (participates in β ladder)trans-134.6126.1178.9176.762.3000109.3L93 L95 L109 L120 V135 L139 V142 Y144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.1Å; L93-L118 HydrophobicContact CD2-CD1 4.03Å; L93-L118 HydrophobicContact CG-CD1 4.03Å; L93-L118 WeakPolarHBondContact O-CA 3.46Å; L95-L118 HydrophobicContact CD1-CD1 4.2Å; L109-L118 HydrophobicContact CD1-CD1 4.33Å; L109-L118 HydrophobicContact CD1-CD2 4.22Å; L118-L120 HydrophobicContact CD1-CD2 4.23Å; L118-L120 HydrophobicContact CD1-CG 4.36Å; L118-L120 HydrophobicContact CD2-CD1 3.95Å; L118-L120 HydrophobicContact CD2-CG 4.17Å; L118-L120 HydrophobicContact CG-CD1 4.32Å; L118-L120 HydrophobicContact CG-CD2 4.39Å; L118-L120 HydrophobicContact CG-CG 4Å; L118-V135 HydrophobicContact CD2-CG1 4.32Å; L118-L139 HydrophobicContact CD2-CD1 3.74Å; L118-V142 HydrophobicContact CB-CG1 4.06Å; L118-V142 HydrophobicContact CB-CG2 4.34Å; L118-Y144 PolarHBondContact N-O 3.15Å; L118-L145 HydrophobicContact CB-CD1 4.37Å; L118-L145 HydrophobicContact CD2-CD1 4.33Å; L118-L145 HydrophobicContact CG-CD1 4.27Å; L118-L145 CarbonylContact O-C 3.53Å; L118-L145 VanDerWaalsContact O-CA 3.29Å; L118-L145 WeakPolarHBondContact O-CA 3.44Å; L118-L145 WeakPolarHBondContact O-CD1 3.25Å; L118-D146 PolarHBondContact O-N 3.41Å
119D92.1Very high88.1Confident18 Ų1857 Ų5710%0.09632%0.316CS..EExtended strand (participates in β ladder)trans-111.5123173.9-58.3-41.8000109.6Y92 L93 N94 L95 S96 D146 G147Y92-D119 VanDerWaalsContact CZ-OD2 3.23Å; Y92-D119 PolarHBondContact OH-OD2 3.09Å; L93-D119 PolarHBondContact O-N 3.45Å; N94-D119 HydrophobicContact CB-CB 4.25Å; L95-D119 CarbonylContact C-O 3.52Å; L95-D119 WeakPolarHBondContact CA-O 3.13Å; L95-D119 PolarHBondContact N-O 3.33Å; S96-D119 PolarHBondContact N-O 3.17Å; D119-D146 VanDerWaalsContact OD1-CA 3.26Å; D119-D146 WeakPolarHBondContact OD1-CA 3.17Å; D119-D146 PolarHBondContact OD1-N 2.76Å; D119-G147 PolarHBondContact OD1-N 2.88Å
120L90Very high88Confident0 Ų059 Ų590%034%0.336CS..  trans-120.810.7179.1-65.4174.2000111.8L95 I100 L106 L118 S122 C123 V125 T126 V135 L145 D146L95-L120 HydrophobicContact CB-CD2 3.98Å; L95-L120 HydrophobicContact CD1-CD2 4.14Å; I100-L120 HydrophobicContact CD1-CD2 4.19Å; L106-L120 HydrophobicContact CD1-CD1 3.6Å; L106-L120 HydrophobicContact CD2-CD1 4.3Å; L106-L120 HydrophobicContact CD2-CD2 3.94Å; L118-L120 HydrophobicContact CD1-CD2 4.23Å; L118-L120 HydrophobicContact CD1-CG 4.36Å; L118-L120 HydrophobicContact CD2-CD1 3.95Å; L118-L120 HydrophobicContact CD2-CG 4.17Å; L118-L120 HydrophobicContact CG-CD1 4.32Å; L118-L120 HydrophobicContact CG-CD2 4.39Å; L118-L120 HydrophobicContact CG-CG 4Å; L120-S122 PolarHBondContact O-N 2.99Å; L120-C123 WeakPolarHBondContact O-CB 3.48Å; L120-C123 PolarHBondContact O-N 3.46Å; L120-C123 VanDerWaalsContact O-N 3.09Å; L120-C123 PolarHBondContact O-SG 3.22Å; L120-V125 HydrophobicContact CB-CG1 4.43Å; L120-V125 HydrophobicContact CD1-CG1 4.3Å; L120-T126 WeakPolarHBondContact O-CG2 3.48Å; L120-V135 HydrophobicContact CD1-CG2 4.13Å; L120-L145 HydrophobicContact CD1-CD1 4.1Å; L120-L145 HydrophobicContact CG-CD1 4.41Å; L120-D146 WeakPolarHBondContact CA-OD1 3.48Å; L120-D146 PolarHBondContact N-OD1 3.18Å
121Y88.6Confident88Confident169 Ų16957 Ų5766%0.66333%0.325SS*.THydrogen-bonded Turntrans-48.6139.1-179.7-169.5-99.1000112.6S96 G97 C123 D146S96-Y121 CarbonylContact C-O 3.1Å; S96-Y121 WeakPolarHBondContact CA-O 3.35Å; S96-Y121 VanDerWaalsContact CB-O 3.29Å; S96-Y121 WeakPolarHBondContact CB-O 3.47Å; G97-Y121 PolarHBondContact N-O 2.85Å; Y121-C123 PolarHBondContact O-N 2.93Å; Y121-D146 PolarHBondContact N-OD1 3.34Å
122S87.9Confident88Confident79 Ų7954 Ų5455%0.55231%0.305SS*.THydrogen-bonded Turntrans57.825.2-178.8-167.10000115L120L120-S122 PolarHBondContact O-N 2.99Å
123C88.8Confident88Confident5 Ų559.7 Ų59.73%0.03434%0.335CS..SBendtrans-90.9159.4167.5-68.70000111.9L95 N98 I100 L120 Y121 V125 T126L95-C123 PolarHBondContact O-SG 3.01Å; N98-C123 WeakPolarHBondContact O-CA 3.26Å; I100-C123 HydrophobicContact CB-CB 4.34Å; L120-C123 WeakPolarHBondContact O-CB 3.48Å; L120-C123 PolarHBondContact O-N 3.46Å; L120-C123 VanDerWaalsContact O-N 3.09Å; L120-C123 PolarHBondContact O-SG 3.22Å; Y121-C123 PolarHBondContact O-N 2.93Å; C123-V125 HydrophobicContact CB-CG1 3.91Å; C123-V125 PolarHBondContact O-N 2.95Å; C123-V125 VanDerWaalsContact O-N 3.15Å; C123-T126 PolarHBondContact O-N 2.68Å; C123-T126 VanDerWaalsContact O-N 3.13Å; C123-T126 PolarHBondContact O-OG1 2.84Å
124G84.8Confident88.2Confident39 Ų3952.6 Ų52.640%0.40231%0.31SS..G310 helixtrans-58.9-27.8175.500000114I100 T126 A127I100-G124 CarbonylContact O-C 3.37Å; I100-G124 VanDerWaalsContact O-CA 3.3Å; I100-G124 WeakPolarHBondContact O-CA 3.42Å; I100-G124 PolarHBondContact O-N 2.68Å; G124-T126 VanDerWaalsContact C-N 3.33Å; G124-T126 PolarHBondContact O-N 2.94Å; G124-A127 WeakPolarHBondContact O-CB 3.39Å; G124-A127 PolarHBondContact O-N 3.43Å
125V85.9Confident88.3Confident3 Ų349.1 Ų49.12%0.01829%0.292CS..G310 helixtrans-69.1-26.2178.870.40000113.2I100 L103 L120 C123 A127 A128 Y131I100-V125 PolarHBondContact O-N 2.91Å; L103-V125 HydrophobicContact CD2-CG2 3.75Å; L103-V125 HydrophobicContact CG-CG2 3.9Å; L120-V125 HydrophobicContact CB-CG1 4.43Å; L120-V125 HydrophobicContact CD1-CG1 4.3Å; C123-V125 HydrophobicContact CB-CG1 3.91Å; C123-V125 PolarHBondContact O-N 2.95Å; C123-V125 VanDerWaalsContact O-N 3.15Å; V125-A127 PolarHBondContact O-N 2.95Å; V125-A128 WeakPolarHBondContact O-CB 3.15Å; V125-A128 PolarHBondContact O-N 2.93Å; V125-A128 VanDerWaalsContact O-N 3.14Å; V125-Y131 WeakPolarHBondContact O-CB 3.44Å
126T85.2Confident88.3Confident43 Ų4350.6 Ų50.626%0.26430%0.298SS..G310 helixtrans-71.6-14.7179.866.20000112.4L120 C123 G124 A128 Y131L120-T126 WeakPolarHBondContact O-CG2 3.48Å; C123-T126 PolarHBondContact O-N 2.68Å; C123-T126 VanDerWaalsContact O-N 3.13Å; C123-T126 PolarHBondContact O-OG1 2.84Å; G124-T126 VanDerWaalsContact C-N 3.33Å; G124-T126 PolarHBondContact O-N 2.94Å; T126-A128 PolarHBondContact O-N 2.73Å; T126-Y131 HydrophobicContact CG2-CD2 4.49Å; T126-Y131 HydrophobicContact CG2-CE2 4.05Å
127A85.1Confident88.3Confident86 Ų8657.3 Ų57.371%0.71132%0.321SS*.G310 helixtrans-74.9-12173.400000113.2G124 V125G124-A127 WeakPolarHBondContact O-CB 3.39Å; G124-A127 PolarHBondContact O-N 3.43Å; V125-A127 PolarHBondContact O-N 2.95Å
128A85.2Confident88.3Confident48 Ų4858.6 Ų58.640%0.39733%0.328SS..SBendtrans-78.9134.3177.300000111.3V125 T126 G130 Y131V125-A128 WeakPolarHBondContact O-CB 3.15Å; V125-A128 PolarHBondContact O-N 2.93Å; V125-A128 VanDerWaalsContact O-N 3.14Å; T126-A128 PolarHBondContact O-N 2.73Å; A128-G130 PolarHBondContact O-N 3.24Å; A128-Y131 WeakPolarHBondContact O-CB 3.2Å; A128-Y131 PolarHBondContact O-N 3.27Å
129D84.2Confident88.2Confident172 Ų17258.6 Ų58.692%0.9233%0.328SS*.THydrogen-bonded Turntrans-62.3129.8173.7-66.7-57.7000110.8Y131D129-Y131 VanDerWaalsContact C-N 3.3Å; D129-Y131 PolarHBondContact O-N 3.47Å
130G85.4Confident88Confident42 Ų4262.9 Ų62.943%0.43336%0.356SS..THydrogen-bonded Turntrans68.424.9-178.900000114.1A128 R132 D133 A134A128-G130 PolarHBondContact O-N 3.24Å; G130-R132 PolarHBondContact O-N 3.17Å; G130-D133 PolarHBondContact O-N 2.86Å; G130-A134 PolarHBondContact O-N 3.22Å
131Y88.9Confident88Confident40 Ų4065 Ų6516%0.15737%0.366CS..Hα-helixtrans-56.9-37.9178.984.1-88.6000112.1V125 T126 A128 D129 A134 V135 L145 D146V125-Y131 WeakPolarHBondContact O-CB 3.44Å; T126-Y131 HydrophobicContact CG2-CD2 4.49Å; T126-Y131 HydrophobicContact CG2-CE2 4.05Å; A128-Y131 WeakPolarHBondContact O-CB 3.2Å; A128-Y131 PolarHBondContact O-N 3.27Å; D129-Y131 VanDerWaalsContact C-N 3.3Å; D129-Y131 PolarHBondContact O-N 3.47Å; Y131-A134 PolarHBondContact O-N 3.41Å; Y131-V135 HydrophobicContact CD2-CG2 4.4Å; Y131-V135 WeakPolarHBondContact O-CB 3.3Å; Y131-V135 VanDerWaalsContact O-CG2 3.25Å; Y131-V135 WeakPolarHBondContact O-CG2 3.48Å; Y131-V135 PolarHBondContact O-N 3.14Å; Y131-L145 HydrophobicContact CE2-CD2 4.13Å; Y131-D146 PolarHBondContact OH-OD2 3.42Å
132R87.6Confident88Confident55 Ų5557.2 Ų57.221%0.20834%0.336CS..Hα-helixtrans-58.7-54179.4-63.7-176.369.582.17111G130 A134 V135 F136 L145 D146 F148G130-R132 PolarHBondContact O-N 3.17Å; R132-A134 VanDerWaalsContact C-N 3.28Å; R132-A134 PolarHBondContact O-N 3.1Å; R132-V135 PolarHBondContact O-N 3.09Å; R132-V135 VanDerWaalsContact O-N 3.17Å; R132-F136 HydrophobicContact CB-CD2 4.49Å; R132-F136 HydrophobicContact CB-CE2 4.43Å; R132-F136 WeakPolarHBondContact O-CD2 3.44Å; R132-F136 PolarHBondContact O-N 2.85Å; R132-L145 HydrophobicContact CB-CD2 4.02Å; R132-L145 HydrophobicContact CG-CD2 3.97Å; R132-L145 PolarHBondContact NH1-O 3.43Å; R132-L145 PolarHBondContact NH2-O 3.48Å; R132-D146 IonicContact NH1-OD2 2.71Å; R132-D146 PolarHBondContact NH1-OD2 3.16Å; R132-F148 PolarHBondContact NH2-O 3.26Å; R132-F148 VanDerWaalsContact NH2-O 3.15Å
133D89.5Confident88.1Confident120 Ų12056.4 Ų56.464%0.64233%0.328SS*.Hα-helixtrans-58.1-40.1176.2-65.8-76000112.5G130 R137G130-D133 PolarHBondContact O-N 2.86Å; D133-R137 WeakPolarHBondContact O-CB 3.4Å; D133-R137 PolarHBondContact O-N 2.92Å
134A90.8Very high88.1Confident30 Ų3057.5 Ų57.525%0.24833%0.331CS..Hα-helixtrans-65.7-42178.200000111.7L103 G130 Y131 R132 R137 L138L103-A134 HydrophobicContact CD1-CB 3.67Å; L103-A134 HydrophobicContact CD2-CB 4.17Å; G130-A134 PolarHBondContact O-N 3.22Å; Y131-A134 PolarHBondContact O-N 3.41Å; R132-A134 VanDerWaalsContact C-N 3.28Å; R132-A134 PolarHBondContact O-N 3.1Å; A134-R137 PolarHBondContact O-N 3.12Å; A134-L138 VanDerWaalsContact O-CB 3.23Å; A134-L138 WeakPolarHBondContact O-CB 3.48Å; A134-L138 PolarHBondContact O-N 2.76Å
135V90.3Very high88.4Confident0 Ų055.6 Ų55.60%031%0.312CS..Hα-helixtrans-66.5-46.6176.6172.20000110.7L103 L106 L118 L120 Y131 R132 R137 L138 L139 L145L103-V135 HydrophobicContact CD2-CG2 3.73Å; L106-V135 HydrophobicContact CD1-CG2 3.98Å; L118-V135 HydrophobicContact CD2-CG1 4.32Å; L120-V135 HydrophobicContact CD1-CG2 4.13Å; Y131-V135 HydrophobicContact CD2-CG2 4.4Å; Y131-V135 WeakPolarHBondContact O-CB 3.3Å; Y131-V135 VanDerWaalsContact O-CG2 3.25Å; Y131-V135 WeakPolarHBondContact O-CG2 3.48Å; Y131-V135 PolarHBondContact O-N 3.14Å; R132-V135 PolarHBondContact O-N 3.09Å; R132-V135 VanDerWaalsContact O-N 3.17Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.17Å; V135-L138 CarbonylContact O-C 3.51Å; V135-L138 WeakPolarHBondContact O-CB 3.44Å; V135-L138 PolarHBondContact O-N 2.72Å; V135-L138 VanDerWaalsContact O-N 3.1Å; V135-L139 HydrophobicContact CG1-CD1 4.23Å; V135-L139 WeakPolarHBondContact O-CB 3.49Å; V135-L139 PolarHBondContact O-N 3.34Å; V135-L145 HydrophobicContact CB-CD2 3.93Å; V135-L145 HydrophobicContact CG1-CD1 3.89Å; V135-L145 HydrophobicContact CG1-CD2 3.91Å
136F89.8Confident88.5Confident31 Ų3156.5 Ų56.514%0.13632%0.317CS..Hα-helixtrans-64-37.1176.6-75.1-62.6000112.6R132 L138 L139 P140 V142 L145 P150R132-F136 HydrophobicContact CB-CD2 4.49Å; R132-F136 HydrophobicContact CB-CE2 4.43Å; R132-F136 WeakPolarHBondContact O-CD2 3.44Å; R132-F136 PolarHBondContact O-N 2.85Å; F136-L138 VanDerWaalsContact C-N 3.3Å; F136-L138 PolarHBondContact O-N 2.99Å; F136-L139 CarbonylContact O-C 3.58Å; F136-P140 WeakPolarHBondContact O-CA 2.9Å; F136-V142 HydrophobicContact CE1-CG1 4.39Å; F136-L145 HydrophobicContact CD2-CD2 4.42Å; F136-L145 HydrophobicContact CE1-CB 4.08Å; F136-L145 HydrophobicContact CE2-CB 3.98Å; F136-L145 HydrophobicContact CE2-CD2 4.02Å; F136-L145 HydrophobicContact CZ-CB 3.49Å; F136-L145 VanDerWaalsContact CZ-CB 3.49Å; F136-L145 HydrophobicContact CZ-CD2 4.35Å; F136-P150 HydrophobicContact CD1-CG 4.07Å; F136-P150 HydrophobicContact CD2-CG 4.5Å; F136-P150 HydrophobicContact CE1-CG 3.81Å; F136-P150 HydrophobicContact CE2-CB 4.43Å; F136-P150 HydrophobicContact CE2-CG 4.27Å; F136-P150 HydrophobicContact CG-CG 4.42Å; F136-P150 HydrophobicContact CZ-CG 3.92Å
137R90.8Very high88.5Confident214 Ų21455.6 Ų55.681%0.80832%0.316SS*.Hα-helixtrans-65.8-35.5172.8177.4177-93.4137.6-4.9111.8D133 A134 V135D133-R137 WeakPolarHBondContact O-CB 3.4Å; D133-R137 PolarHBondContact O-N 2.92Å; A134-R137 PolarHBondContact O-N 3.12Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.17Å
138L90.5Very high88.6Confident37 Ų3754.6 Ų54.619%0.19430%0.295CS..Hα-helixtrans-76.5-39.5179.7-167.271.4000111.9L106 Q107 Q110 A134 V135 F136 P140L106-L138 HydrophobicContact CB-CD2 3.99Å; Q107-L138 HydrophobicContact CG-CD1 4.15Å; Q107-L138 HydrophobicContact CG-CD2 4.34Å; Q110-L138 VanDerWaalsContact CG-O 3.24Å; Q110-L138 WeakPolarHBondContact CG-O 3.21Å; Q110-L138 PolarHBondContact NE2-O 3.44Å; A134-L138 VanDerWaalsContact O-CB 3.23Å; A134-L138 WeakPolarHBondContact O-CB 3.48Å; A134-L138 PolarHBondContact O-N 2.76Å; V135-L138 CarbonylContact O-C 3.51Å; V135-L138 WeakPolarHBondContact O-CB 3.44Å; V135-L138 PolarHBondContact O-N 2.72Å; V135-L138 VanDerWaalsContact O-N 3.1Å; F136-L138 VanDerWaalsContact C-N 3.3Å; F136-L138 PolarHBondContact O-N 2.99Å; L138-P140 VanDerWaalsContact C-CD 3.5Å; L138-P140 WeakPolarHBondContact O-CD 3.45Å
139L90.3Very high88.7Confident0 Ų053.4 Ų53.40%028%0.282CS..  trans-124.171.9-173.2-58.3177000109.7L109 Q110 L118 V135 F136 Q141 V142L109-L139 HydrophobicContact CB-CD1 4.1Å; L109-L139 HydrophobicContact CB-CD2 3.88Å; L109-L139 HydrophobicContact CD1-CD1 4.24Å; Q110-L139 HydrophobicContact CB-CD2 4.22Å; Q110-L139 HydrophobicContact CG-CD2 3.56Å; Q110-L139 VanDerWaalsContact N-CD2 3.34Å; L118-L139 HydrophobicContact CD2-CD1 3.74Å; V135-L139 HydrophobicContact CG1-CD1 4.23Å; V135-L139 WeakPolarHBondContact O-CB 3.49Å; V135-L139 PolarHBondContact O-N 3.34Å; F136-L139 CarbonylContact O-C 3.58Å; L139-Q141 VanDerWaalsContact C-OE1 3.26Å; L139-Q141 PolarHBondContact O-N 3.06Å; L139-Q141 VanDerWaalsContact O-N 3.09Å; L139-V142 HydrophobicContact CB-CB 4.34Å; L139-V142 HydrophobicContact CB-CG2 3.77Å; L139-V142 HydrophobicContact CD1-CG2 4.2Å; L139-V142 PolarHBondContact O-N 3.05Å
140P88.4Confident88.7Confident107 Ų10749.3 Ų49.370%0.69527%0.265SS*.THydrogen-bonded Turntrans-66-12.4-177.828.4-36.9000113.8F136 L138F136-P140 WeakPolarHBondContact O-CA 2.9Å; L138-P140 VanDerWaalsContact C-CD 3.5Å; L138-P140 WeakPolarHBondContact O-CD 3.45Å
141Q88.9Confident88.6Confident44 Ų4453.5 Ų53.521%0.20628%0.278CS..THydrogen-bonded Turntrans-77.1-21.4173.967.2-94.950.100113.8L109 Q110 L112 L115 L139 V143L109-Q141 PolarHBondContact O-NE2 3.09Å; Q110-Q141 PolarHBondContact O-NE2 3.29Å; L112-Q141 PolarHBondContact O-NE2 3.15Å; L115-Q141 CarbonylContact O-C 3.4Å; L115-Q141 WeakPolarHBondContact O-CG 3.4Å; L115-Q141 VanDerWaalsContact O-O 3.09Å; L139-Q141 VanDerWaalsContact C-OE1 3.26Å; L139-Q141 PolarHBondContact O-N 3.06Å; L139-Q141 VanDerWaalsContact O-N 3.09Å; Q141-V143 PolarHBondContact O-N 2.96Å
142V90.2Very high88.3Confident7 Ų757 Ų574%0.04230%0.299CS..  trans-75.4124.4-178.7174.50000108L115 L118 F136 L139 Y144L115-V142 HydrophobicContact CD2-CG2 4.15Å; L115-V142 HydrophobicContact CG-CG2 4.31Å; L118-V142 HydrophobicContact CB-CG1 4.06Å; L118-V142 HydrophobicContact CB-CG2 4.34Å; F136-V142 HydrophobicContact CE1-CG1 4.39Å; L139-V142 HydrophobicContact CB-CB 4.34Å; L139-V142 HydrophobicContact CB-CG2 3.77Å; L139-V142 HydrophobicContact CD1-CG2 4.2Å; L139-V142 PolarHBondContact O-N 3.05Å; V142-Y144 WeakPolarHBondContact CG1-O 3.25Å
143V89.5Confident88.1Confident61 Ų6158.7 Ų58.737%0.3731%0.313SS..  trans-93.1-38.8179.4-1740000110.2K116 Q141 D149K116-V143 HydrophobicContact CB-CG2 4.43Å; K116-V143 PolarHBondContact O-N 3.05Å; Q141-V143 PolarHBondContact O-N 2.96Å; V143-D149 WeakPolarHBondContact O-CA 3.23Å
144Y89.4Confident87.6Confident28 Ų2859.8 Ų59.811%0.1131%0.314CS..EExtended strand (participates in β ladder)trans-123.5128-178.3-59.4-84.7000110.5K116 S117 L118 V142 F148 D149 V155 W163K116-Y144 PolarHBondContact O-N 3.44Å; S117-Y144 WeakPolarHBondContact CA-O 3.44Å; L118-Y144 PolarHBondContact N-O 3.15Å; V142-Y144 WeakPolarHBondContact CG1-O 3.25Å; Y144-F148 WeakPolarHBondContact CA-O 3.23Å; Y144-D149 HydrophobicContact CD1-CB 4.07Å; Y144-D149 HydrophobicContact CE1-CB 4.02Å; Y144-V155 HydrophobicContact CD1-CB 4.02Å; Y144-V155 HydrophobicContact CD1-CG2 3.76Å; Y144-V155 HydrophobicContact CD2-CG2 4Å; Y144-V155 HydrophobicContact CE1-CB 4.08Å; Y144-V155 HydrophobicContact CE1-CG2 3.68Å; Y144-V155 HydrophobicContact CE2-CG2 3.96Å; Y144-V155 HydrophobicContact CG-CB 4.5Å; Y144-V155 HydrophobicContact CG-CG2 3.91Å; Y144-W163 AromaticContact CE2-CZ2 3.95Å; Y144-W163 HydrophobicContact CE2-CZ2 3.95Å
145L91.1Very high86.7Confident0 Ų060.6 Ų60.60%032%0.316CS..EExtended strand (participates in β ladder)trans-119.6121.2174.9-179.265.5000109.2L118 L120 Y131 R132 V135 F136 G147 F148L118-L145 HydrophobicContact CB-CD1 4.37Å; L118-L145 HydrophobicContact CD2-CD1 4.33Å; L118-L145 HydrophobicContact CG-CD1 4.27Å; L118-L145 CarbonylContact O-C 3.53Å; L118-L145 VanDerWaalsContact O-CA 3.29Å; L118-L145 WeakPolarHBondContact O-CA 3.44Å; L118-L145 WeakPolarHBondContact O-CD1 3.25Å; L120-L145 HydrophobicContact CD1-CD1 4.1Å; L120-L145 HydrophobicContact CG-CD1 4.41Å; Y131-L145 HydrophobicContact CE2-CD2 4.13Å; R132-L145 HydrophobicContact CB-CD2 4.02Å; R132-L145 HydrophobicContact CG-CD2 3.97Å; R132-L145 PolarHBondContact NH1-O 3.43Å; R132-L145 PolarHBondContact NH2-O 3.48Å; V135-L145 HydrophobicContact CB-CD2 3.93Å; V135-L145 HydrophobicContact CG1-CD1 3.89Å; V135-L145 HydrophobicContact CG1-CD2 3.91Å; F136-L145 HydrophobicContact CD2-CD2 4.42Å; F136-L145 HydrophobicContact CE1-CB 4.08Å; F136-L145 HydrophobicContact CE2-CB 3.98Å; F136-L145 HydrophobicContact CE2-CD2 4.02Å; F136-L145 HydrophobicContact CZ-CB 3.49Å; F136-L145 VanDerWaalsContact CZ-CB 3.49Å; F136-L145 HydrophobicContact CZ-CD2 4.35Å; L145-G147 PolarHBondContact O-N 3.28Å; L145-F148 PolarHBondContact N-O 3.41Å; L145-F148 PolarHBondContact O-N 3.3Å; L145-F148 VanDerWaalsContact O-N 3.09Å; L145-F148 VanDerWaalsContact O-O 3.07Å
146D88.4Confident85.6Confident22 Ų2263.7 Ų63.712%0.11834%0.336CS..THydrogen-bonded Turntrans5632-176.2-53.8-49.8000113.1L118 D119 L120 Y121 Y131 R132 F148L118-D146 PolarHBondContact O-N 3.41Å; D119-D146 VanDerWaalsContact OD1-CA 3.26Å; D119-D146 WeakPolarHBondContact OD1-CA 3.17Å; D119-D146 PolarHBondContact OD1-N 2.76Å; L120-D146 WeakPolarHBondContact CA-OD1 3.48Å; L120-D146 PolarHBondContact N-OD1 3.18Å; Y121-D146 PolarHBondContact N-OD1 3.34Å; Y131-D146 PolarHBondContact OH-OD2 3.42Å; R132-D146 IonicContact NH1-OD2 2.71Å; R132-D146 PolarHBondContact NH1-OD2 3.16Å; D146-F148 WeakPolarHBondContact O-CD2 3.24Å; D146-F148 WeakPolarHBondContact O-CE2 3.25Å
147G84.6Confident83.8Confident23 Ų2371.3 Ų71.324%0.23737%0.371CS..THydrogen-bonded Turntrans84.2-3.1-176.700000116.3D119 L145 V155D119-G147 PolarHBondContact OD1-N 2.88Å; L145-G147 PolarHBondContact O-N 3.28Å; G147-V155 PolarHBondContact O-N 3.27Å
148F86.7Confident81.9Confident65 Ų6565.4 Ų65.429%0.28536%0.363SS..BIsolated β-bridgetrans-118.9144.5-179.6-55.7-97.3000111.6R132 Y144 L145 D146 N153 E154R132-F148 PolarHBondContact NH2-O 3.26Å; R132-F148 VanDerWaalsContact NH2-O 3.15Å; Y144-F148 WeakPolarHBondContact CA-O 3.23Å; L145-F148 PolarHBondContact N-O 3.41Å; L145-F148 PolarHBondContact O-N 3.3Å; L145-F148 VanDerWaalsContact O-N 3.09Å; L145-F148 VanDerWaalsContact O-O 3.07Å; D146-F148 WeakPolarHBondContact O-CD2 3.24Å; D146-F148 WeakPolarHBondContact O-CE2 3.25Å; F148-N153 WeakPolarHBondContact CA-O 3.23Å; F148-E154 HydrophobicContact CD1-CG 3.8Å; F148-E154 HydrophobicContact CE1-CG 3.4Å; F148-E154 HydrophobicContact CZ-CG 4.14Å
149D87.4Confident80.1Confident23 Ų2365.2 Ų65.212%0.12336%0.362CS..  trans-77.9-178.4173.479.1-1.1000111.9V143 Y144 D151 D152 N153V143-D149 WeakPolarHBondContact O-CA 3.23Å; Y144-D149 HydrophobicContact CD1-CB 4.07Å; Y144-D149 HydrophobicContact CE1-CB 4.02Å; D149-D151 PolarHBondContact O-N 3.47Å; D149-D151 VanDerWaalsContact OD1-CA 3.27Å; D149-D151 WeakPolarHBondContact OD1-CA 3.41Å; D149-D151 WeakPolarHBondContact OD1-CB 3.47Å; D149-D151 PolarHBondContact OD1-N 2.87Å; D149-D152 PolarHBondContact O-N 2.8Å; D149-D152 PolarHBondContact OD1-N 3.47Å; D149-N153 PolarHBondContact N-O 3.01Å; D149-N153 PolarHBondContact OD1-N 3.13Å; D149-N153 PolarHBondContact OD1-ND2 3.2Å; D149-N153 WeakPolarHBondContact OD2-CB 3.41Å; D149-N153 PolarHBondContact OD2-ND2 3.25Å
150P83.3Confident78.1Confident87 Ų8767 Ų6757%0.56538%0.381SS*.THydrogen-bonded Turntrans-63.7-21.6174.7-22.534.2000114.5F136F136-P150 HydrophobicContact CD1-CG 4.07Å; F136-P150 HydrophobicContact CD2-CG 4.5Å; F136-P150 HydrophobicContact CE1-CG 3.81Å; F136-P150 HydrophobicContact CE2-CB 4.43Å; F136-P150 HydrophobicContact CE2-CG 4.27Å; F136-P150 HydrophobicContact CG-CG 4.42Å; F136-P150 HydrophobicContact CZ-CG 3.92Å
151D83.8Confident76.1Confident129 Ų12968.7 Ų68.769%0.6938%0.379SS*.THydrogen-bonded Turntrans-968.4-179.9-66.9-74000112.2D149 N153D149-D151 PolarHBondContact O-N 3.47Å; D149-D151 VanDerWaalsContact OD1-CA 3.27Å; D149-D151 WeakPolarHBondContact OD1-CA 3.41Å; D149-D151 WeakPolarHBondContact OD1-CB 3.47Å; D149-D151 PolarHBondContact OD1-N 2.87Å; D151-N153 VanDerWaalsContact C-N 3.29Å; D151-N153 WeakPolarHBondContact CB-ND2 3.44Å; D151-N153 PolarHBondContact O-N 3.15Å
152D83.4Confident73.9Confident113 Ų11371.9 Ų71.960%0.60439%0.393SS*.  trans65.922.6-178.8-151.243.9000114.9D149D149-D152 PolarHBondContact O-N 2.8Å; D149-D152 PolarHBondContact OD1-N 3.47Å
153N83.6Confident72Confident92 Ų9273.7 Ų73.749%0.49240%0.399SS..PPolyproline II helixtrans-81.4131.2170.7-52.2-66.6000110.1F148 D149 D151F148-N153 WeakPolarHBondContact CA-O 3.23Å; D149-N153 PolarHBondContact N-O 3.01Å; D149-N153 PolarHBondContact OD1-N 3.13Å; D149-N153 PolarHBondContact OD1-ND2 3.2Å; D149-N153 WeakPolarHBondContact OD2-CB 3.41Å; D149-N153 PolarHBondContact OD2-ND2 3.25Å; D151-N153 VanDerWaalsContact C-N 3.29Å; D151-N153 WeakPolarHBondContact CB-ND2 3.44Å; D151-N153 PolarHBondContact O-N 3.15Å
154E79.7Confident69.8Low143 Ų14374.2 Ų74.267%0.66840%0.397SS*.BIsolated β-bridgetrans-63.9146.7172.3-70.7-179.3176.300111.1F148 P156F148-E154 HydrophobicContact CD1-CG 3.8Å; F148-E154 HydrophobicContact CE1-CG 3.4Å; F148-E154 HydrophobicContact CZ-CG 4.14Å; E154-P156 WeakPolarHBondContact O-CD 3.41Å; E154-P156 VanDerWaalsContact O-N 3.15Å
155V71.1Confident67.7Low47 Ų4780.4 Ų80.429%0.28543%0.426SS..PPolyproline II helixtrans-56.4122.9171.3950000107.9Y144 G147 E157 N159Y144-V155 HydrophobicContact CD1-CB 4.02Å; Y144-V155 HydrophobicContact CD1-CG2 3.76Å; Y144-V155 HydrophobicContact CD2-CG2 4Å; Y144-V155 HydrophobicContact CE1-CB 4.08Å; Y144-V155 HydrophobicContact CE1-CG2 3.68Å; Y144-V155 HydrophobicContact CE2-CG2 3.96Å; Y144-V155 HydrophobicContact CG-CB 4.5Å; Y144-V155 HydrophobicContact CG-CG2 3.91Å; G147-V155 PolarHBondContact O-N 3.27Å; V155-E157 PolarHBondContact O-N 2.96Å; V155-N159 HydrophobicContact CG2-CB 4.18Å
156P66.4Low65.4Low65 Ų6583 Ų8342%0.42244%0.444SS..PPolyproline II helixtrans-61.2135.1178.518.9-27000108.3E154 S158 N159E154-P156 WeakPolarHBondContact O-CD 3.41Å; E154-P156 VanDerWaalsContact O-N 3.15Å; P156-S158 PolarHBondContact O-N 3.48Å; P156-N159 HydrophobicContact CG-CB 3.99Å; P156-N159 WeakPolarHBondContact O-CA 3.4Å; P156-N159 WeakPolarHBondContact O-CB 3.46Å; P156-N159 PolarHBondContact O-N 3.43Å
157E53.2Low63.3Low190 Ų19084.6 Ų84.689%0.88847%0.466SS*.Hα-helixtrans-52.7-31.2-176.5-69.1-167.2110.300112.3V155 N159 G160V155-E157 PolarHBondContact O-N 2.96Å; E157-N159 VanDerWaalsContact C-N 3.28Å; E157-N159 PolarHBondContact O-N 3.14Å; E157-G160 PolarHBondContact O-N 3.27Å
158S49.8Very low61.2Low91 Ų9191.8 Ų91.864%0.63649%0.494SS*.Hα-helixtrans-63.7-25.7174.3-173.10000114.4P156 F162P156-S158 PolarHBondContact O-N 3.48Å; S158-F162 WeakPolarHBondContact O-CB 3.47Å; S158-F162 PolarHBondContact O-N 3.44Å
159N52.3Low59Low33 Ų3395.1 Ų95.118%0.17652%0.522CS..Hα-helixtrans-80.3-22.3178.6-93.418.2000113.1V155 P156 E157 E161 F162 W163V155-N159 HydrophobicContact CG2-CB 4.18Å; P156-N159 HydrophobicContact CG-CB 3.99Å; P156-N159 WeakPolarHBondContact O-CA 3.4Å; P156-N159 WeakPolarHBondContact O-CB 3.46Å; P156-N159 PolarHBondContact O-N 3.43Å; E157-N159 VanDerWaalsContact C-N 3.28Å; E157-N159 PolarHBondContact O-N 3.14Å; N159-E161 PolarHBondContact O-N 2.9Å; N159-F162 PolarHBondContact O-N 3.49Å; N159-W163 PolarHBondContact O-N 3.29Å; N159-W163 PolarHBondContact O-NE1 2.6Å
160G49.2Very low56.7Low38 Ų3897.5 Ų97.539%0.39255%0.552SS.*Hα-helixtrans-54.4-38.617300000111.5E157 F164E157-G160 PolarHBondContact O-N 3.27Å; G160-F164 VanDerWaalsContact O-CD2 3.24Å; G160-F164 WeakPolarHBondContact O-CD2 3.43Å; G160-F164 WeakPolarHBondContact O-CE2 3.3Å
161E46.7Very low54.6Low141 Ų14197.9 Ų97.966%0.65956%0.562SS**Hα-helixtrans-92.7-25.5175.5-68-173.4119.600114.1N159 W163 F164N159-E161 PolarHBondContact O-N 2.9Å; E161-W163 PolarHBondContact O-N 3.44Å; E161-F164 PolarHBondContact O-N 3.06Å; E161-F164 VanDerWaalsContact O-N 3.11Å
162F41.8Very low52.5Low111 Ų11197 Ų9749%0.48757%0.566SS.*Hα-helixtrans-68.9-32.5-173.6-170.5-106.4000113.9S158 N159 F164 Q165 S166S158-F162 WeakPolarHBondContact O-CB 3.47Å; S158-F162 PolarHBondContact O-N 3.44Å; N159-F162 PolarHBondContact O-N 3.49Å; F162-F164 PolarHBondContact O-N 3.49Å; F162-Q165 PolarHBondContact O-N 2.89Å; F162-S166 PolarHBondContact O-N 2.74Å; F162-S166 PolarHBondContact O-OG 2.99Å
163W51Low50.7Low45 Ų4595 Ų9517%0.1757%0.572CS.*Hα-helixtrans-62.9-26174-58118.3000111.1R67 K116 Y144 N159 E161 S166R67-W163 PolarHBondContact NH1-O 3.32Å; R67-W163 PolarHBondContact NH2-O 3.23Å; K116-W163 HydrophobicContact CD-CD2 4.29Å; K116-W163 HydrophobicContact CD-CE3 3.64Å; K116-W163 HydrophobicContact CD-CH2 3.7Å; K116-W163 HydrophobicContact CD-CZ2 4.32Å; K116-W163 HydrophobicContact CD-CZ3 3.34Å; Y144-W163 AromaticContact CE2-CZ2 3.95Å; Y144-W163 HydrophobicContact CE2-CZ2 3.95Å; N159-W163 PolarHBondContact O-N 3.29Å; N159-W163 PolarHBondContact O-NE1 2.6Å; E161-W163 PolarHBondContact O-N 3.44Å; W163-S166 PolarHBondContact O-OG 3.17Å
164F44Very low48.7Very low73 Ų7395.2 Ų95.232%0.3258%0.581SS.*Hα-helixtrans-81.8-28-179.8-57.5-68.9000114.2V46 R67 K68 G160 E161 F162V46-F164 HydrophobicContact CG2-CE1 4.36Å; R67-F164 PolarHBondContact NH1-O 3.34Å; K68-F164 HydrophobicContact CB-CE1 3.84Å; K68-F164 HydrophobicContact CB-CZ 4.29Å; K68-F164 HydrophobicContact CD-CE1 3.83Å; K68-F164 HydrophobicContact CD-CZ 3.44Å; K68-F164 VanDerWaalsContact CD-CZ 3.44Å; K68-F164 HydrophobicContact CG-CE1 4.47Å; K68-F164 HydrophobicContact CG-CZ 4.49Å; G160-F164 VanDerWaalsContact O-CD2 3.24Å; G160-F164 WeakPolarHBondContact O-CD2 3.43Å; G160-F164 WeakPolarHBondContact O-CE2 3.3Å; E161-F164 PolarHBondContact O-N 3.06Å; E161-F164 VanDerWaalsContact O-N 3.11Å; F162-F164 PolarHBondContact O-N 3.49Å
165Q44.4Very low47.2Very low157 Ų15794.4 Ų94.473%0.73459%0.585SS**Hα-helixtrans-85.5-21.3-178-74.8173.457.800114.4F162 G167F162-Q165 PolarHBondContact O-N 2.89Å; Q165-G167 PolarHBondContact O-N 3.28Å
166S42.4Very low45.6Very low54 Ų5497.1 Ų97.138%0.37861%0.605SS.*  trans-8035.5-176.843.70000114.1F162 W163 Q168F162-S166 PolarHBondContact O-N 2.74Å; F162-S166 PolarHBondContact O-OG 2.99Å; W163-S166 PolarHBondContact O-OG 3.17Å; S166-Q168 PolarHBondContact O-N 2.81Å; S166-Q168 VanDerWaalsContact O-N 3.12Å
167G43.8Very low44.7Very low56 Ų56100.8 Ų100.858%0.57762%0.621SS**  trans-7827.6178.800000115.7Q165Q165-G167 PolarHBondContact O-N 3.28Å
168Q41.4Very low44.3Very low175 Ų17595.9 Ų95.982%0.81861%0.614SS**  trans-105108.6166.5-94.9-169.1-14.500110.4S166 G170S166-Q168 PolarHBondContact O-N 2.81Å; S166-Q168 VanDerWaalsContact O-N 3.12Å; Q168-G170 PolarHBondContact O-N 3.1Å; Q168-G170 VanDerWaalsContact O-N 3.09Å
169P40.3Very low44.2Very low135 Ų13598.6 Ų98.688%0.87762%0.621SS**THydrogen-bonded Turntrans-75.9100171.331.2-28000107.2
170G38.7Very low44Very low73 Ų73106.2 Ų106.275%0.75366%0.655SS**THydrogen-bonded Turntrans165-11.4174.800000118.5Q168 S172Q168-G170 PolarHBondContact O-N 3.1Å; Q168-G170 VanDerWaalsContact O-N 3.09Å; G170-S172 VanDerWaalsContact C-N 3.33Å; G170-S172 PolarHBondContact O-N 2.93Å
171A39.9Very low43.7Very low95 Ų95111.5 Ų111.579%0.78568%0.675SS**  trans-8582.9174.100000109.6G173A171-G173 PolarHBondContact O-N 3.33Å; A171-G173 VanDerWaalsContact O-N 3.16Å
172S40.4Very low43.6Very low110 Ų110111.5 Ų111.577%0.76968%0.679SS**  trans-42.5121.3152.4173.70000107.4G170 S174G170-S172 VanDerWaalsContact C-N 3.33Å; G170-S172 PolarHBondContact O-N 2.93Å; S172-S174 PolarHBondContact O-N 3.15Å
173G45.1Very low43.9Very low70 Ų70115.7 Ų115.772%0.72270%0.7SS**  trans-59.490170.800000108.5A171 V175A171-G173 PolarHBondContact O-N 3.33Å; A171-G173 VanDerWaalsContact O-N 3.16Å; G173-V175 VanDerWaalsContact C-N 3.32Å; G173-V175 PolarHBondContact O-N 3.22Å
174S41.5Very low43.6Very low97 Ų97118.1 Ų118.168%0.67873%0.73SS**  trans-68.2100.1163.7-174.80000105.4S172 C176S172-S174 PolarHBondContact O-N 3.15Å; S174-C176 PolarHBondContact O-N 3.2Å
175V48.6Very low43.3Very low126 Ų126118.1 Ų118.176%0.76475%0.751SS**  trans-59.695.3155.6-61.30000105.8G173 D177G173-V175 VanDerWaalsContact C-N 3.32Å; G173-V175 PolarHBondContact O-N 3.22Å; V175-D177 VanDerWaalsContact C-N 3.26Å; V175-D177 PolarHBondContact O-N 3.04Å
176C36.4Very low43.6Very low105 Ų105116.1 Ų116.171%0.70975%0.752SS**  trans-87.184.6160.850.30000106.7S174 A178S174-C176 PolarHBondContact O-N 3.2Å; C176-A178 PolarHBondContact O-N 3.18Å
177D47.7Very low43.5Very low141 Ų141122.9 Ų122.975%0.75478%0.777SS**  trans-41.7114.8137-104.2-81.9000107.9V175V175-D177 VanDerWaalsContact C-N 3.26Å; V175-D177 PolarHBondContact O-N 3.04Å
178A44.8Very low43.4Very low88 Ų88123.9 Ų123.973%0.72779%0.787SS**  trans-139.273165.300000106.7C176 E180C176-A178 PolarHBondContact O-N 3.18Å; A178-E180 PolarHBondContact O-N 3.39Å
179D46.7Very low43.7Very low148 Ų148120.7 Ų120.779%0.79178%0.784SS**  trans-61.4106.1145.7-81.1-46.4000107.1
180E49Very low44.1Very low192 Ų192123 Ų12390%0.89778%0.783SS**  trans-147.4108.7152-111.6168.5-16200109A178A178-E180 PolarHBondContact O-N 3.39Å
181D43.4Very low44.6Very low150 Ų150126.5 Ų126.580%0.80279%0.79SS**  trans-60.6155.2172.9-124.6-27.4000112
182D44.8Very low44.9Very low141 Ų141124 Ų12475%0.75477%0.773SS**  trans66.1100.8157.5-85-57.3000120.1
183E47.1Very low45.4Very low198 Ų198127.4 Ų127.493%0.92578%0.782SS**  -156.6128.2109-136.6-165.6-172.200112.6
184A44.2Very low45.6Very low96 Ų96128.8 Ų128.879%0.79378%0.78SS**  trans-82136.7-178.800000113.2
185G37.8Very low46Very low74 Ų74134.9 Ų134.976%0.76379%0.79SS**  trans168.8141.3156.700000114.6
186P50.9Low46.2Very low115 Ų115136.7 Ų136.775%0.74779%0.794SS**  trans-114172.5-135.138-26.9000115
187Q40Very low47.1Very low196 Ų196140.2 Ų140.292%0.91680%0.803SS**  trans114.4116.4159.9-63.3173.517.100114.4
188G43.1Very low47.3Very low76 Ų76142.7 Ų142.778%0.78481%0.807SS**  trans164.269.2172.500000110.9E190G188-E190 PolarHBondContact O-N 3.44Å
189S47.1Very low47.7Very low108 Ų108147.9 Ų147.976%0.75582%0.816SS**  trans-46.5122.8177.549.30000113.4V191S189-V191 PolarHBondContact O-N 3.25Å
190E48.8Very low47.8Very low184 Ų184143.9 Ų143.986%0.8681%0.81SS**  trans-1.7103.8138.9-166.1-179.6112.400114.5G188 G192G188-E190 PolarHBondContact O-N 3.44Å; E190-G192 VanDerWaalsContact C-N 3.33Å; E190-G192 PolarHBondContact O-N 3.1Å
191V49.2Very low47.9Very low146 Ų146142.9 Ų142.989%0.88581%0.809SS**  trans-94.572.9162.6-72.70000108.5S189S189-V191 PolarHBondContact O-N 3.25Å
192G46.9Very low48.1Very low42 Ų42144.3 Ų144.343%0.43381%0.81SS.*  trans-67.1145.8165.900000111E190 S194E190-G192 VanDerWaalsContact C-N 3.33Å; E190-G192 PolarHBondContact O-N 3.1Å; G192-S194 PolarHBondContact O-N 2.99Å; G192-S194 PolarHBondContact O-OG 3.21Å
193L49.6Very low48.3Very low182 Ų182144.9 Ų144.995%0.95381%0.814SS**SBendtrans-56.942.5-178.6-74.8152.1000115.9Y195L193-Y195 VanDerWaalsContact C-N 3.32Å; L193-Y195 PolarHBondContact O-N 3.26Å
194S49.3Very low48.6Very low99 Ų99144.4 Ų144.469%0.69281%0.811SS**G310 helixtrans-83.6-0.5-177.357.20000114.4G192 L196G192-S194 PolarHBondContact O-N 2.99Å; G192-S194 PolarHBondContact O-OG 3.21Å; S194-L196 PolarHBondContact O-N 2.98Å
195Y51.3Low49Very low225 Ų225149.3 Ų149.388%0.88282%0.818SS**G310 helixtrans-82.2-6.2-175.5-123.5-92.9000115.1L193L193-Y195 VanDerWaalsContact C-N 3.32Å; L193-Y195 PolarHBondContact O-N 3.26Å
196L51.9Low49.9Very low164 Ų164153.9 Ų153.986%0.85983%0.825SS**G310 helixtrans-98.30.5-175.9-137.885.1000114.8S194S194-L196 PolarHBondContact O-N 2.98Å
197M56Low49.9Very low180 Ų180155.8 Ų155.889%0.88783%0.829SS**  trans-11169.5175.8-67.4-72.2-88.200109.5
198K52.2Low50.2Low193 Ų193149.5 Ų149.584%0.83982%0.816SS**  trans-110.891.1162.9-165.8169.3-176.9179.70108.6G200K198-G200 PolarHBondContact O-N 3.39Å
199E52.3Low50.6Low197 Ų197152.8 Ų152.892%0.92182%0.816SS**  trans-52131.2158.1-76.2178.1130.600109.4
200G49.5Very low51Low64 Ų64158.7 Ų158.766%0.6682%0.823SS**  trans151.243.9178.700000113.1K198 Q202K198-G200 PolarHBondContact O-N 3.39Å; G200-Q202 PolarHBondContact O-N 3.46Å
201I49.9Very low51.3Low170 Ų170154.9 Ų154.987%0.87281%0.813SS**  trans-78.6100.4163.2-58.2175000105
202Q48.1Very low51.5Low180 Ų180156.1 Ų156.184%0.84181%0.809SS**  trans-81.9122166.8-81.2176.5-14.200107.6G200 E204G200-Q202 PolarHBondContact O-N 3.46Å; Q202-E204 PolarHBondContact O-N 3.14Å
203D48.8Very low51.7Low153 Ų153163 Ų16382%0.81883%0.829SS**  trans-47.3124.4161.3-64.6-55.9000109.6
204E54.2Low51.6Low188 Ų188162.3 Ų162.388%0.87982%0.821SS**  trans-146.8102.5141.7-68.7-155.1178.900108.3Q202Q202-E204 PolarHBondContact O-N 3.14Å
205E53.2Low51.4Low200 Ų200166.3 Ų166.394%0.93583%0.829SS**  trans20.4102.6141.6-59.1176.3179.400116.3
206D55.7Low51.2Low169 Ų169163 Ų16390%0.90483%0.827SS**  trans-110.2121.9154.4-162.322.4000109.2
207D51.9Low51Low156 Ų156162.4 Ų162.483%0.83482%0.824SS**  trans-78.2154.5-169-158.6-3.6000110.7
208G46.3Very low50.7Low63 Ų63162.3 Ų162.365%0.64982%0.822SS**  trans-67.4164.1-160.200000117.9
209D50.3Low50.3Low146 Ų146161.9 Ų161.978%0.78182%0.823SS**  -163.498.9113.8-152.3-0.2000108.5
210Y55.1Low50.1Low232 Ų232161.2 Ų161.291%0.9182%0.819SS**  trans-86.2106.9169.2-104.3-91000106.7
211V56Low49.9Very low104 Ų104165.9 Ų165.963%0.6382%0.824SS**  trans-101.6104.9165.7-171.50000107E213V211-E213 PolarHBondContact O-N 3.19Å
212E53.8Low49.4Very low172 Ų172164.5 Ų164.580%0.80482%0.818SS**PPolyproline II helixtrans-60.5118.3158.5-84.6177.2144.100107.3
213E50.6Low49.2Very low186 Ų186159.6 Ų159.687%0.86982%0.816SS**PPolyproline II helixtrans-91.3120.4159.2-73.8-166.4171.900107.8V211V211-E213 PolarHBondContact O-N 3.19Å
214E48Very low49.1Very low168 Ų168160.8 Ų160.879%0.78582%0.817SS**PPolyproline II helixtrans-67.3154.2-170.5-62.3-154.4160.800113.1D216E214-D216 PolarHBondContact O-N 3.3Å
215E45.6Very low48.6Very low183 Ų183160 Ų16086%0.85582%0.819SS**  trans-59.7115.2163.9-59.7175156.900108.8
216D46.9Very low48.2Very low156 Ų156157.9 Ų157.983%0.83481%0.814SS**  trans-105104160.4-95.2-26.9000108.6E214E214-D216 PolarHBondContact O-N 3.3Å
217D46Very low47.4Very low150 Ų150157.2 Ų157.280%0.80281%0.81SS**  trans-60120.7156.3-78.5-43.3000109.5
218E51.1Low47.2Very low179 Ų179153.6 Ų153.684%0.83680%0.802SS**  trans-124.7100.2153.1-73.9-167.9171.200109.1
219E44.2Very low47.3Very low184 Ų184156.4 Ų156.486%0.8681%0.809SS**  trans-63.3126156.5-63.7-175.2162.800109
220E47.9Very low47.2Very low182 Ų182154.5 Ų154.585%0.8581%0.814SS**  trans-127.2109.9154.7-78.7-74.5176.800107.4
221E43.7Very low46.8Very low162 Ų162153.2 Ų153.276%0.75782%0.816SS**  trans-85.4153.5172.9-155.9-176.8-168.700109.5
222D41.1Very low46.3Very low141 Ų141151.4 Ų151.475%0.75482%0.818SS**  trans79.9109.7160.2-68.7-18.6000121.6
223G42.3Very low45.9Very low77 Ų77151.8 Ų151.879%0.79482%0.82SS**  trans-167.276155.700000109.5
224E46.5Very low46.1Very low178 Ų178152.2 Ų152.283%0.83282%0.819SS**  trans-40.4131.8166.9-61.9172.3146.800111.5
225D45.1Very low46.4Very low172 Ų172155.7 Ų155.792%0.9283%0.825SS**  trans-158.3120.2133-97.3-34.9000110.1
226D43.6Very low46.9Very low156 Ų156155.1 Ų155.183%0.83482%0.82SS**  trans-60.5171.1176-104.2-56.3000113.8
227D40.4Very low47Very low154 Ų154159.1 Ų159.182%0.82482%0.823SS**  trans91.286.4160-94.9-76.6000119
228A46.1Very low47.2Very low81 Ų81158 Ų15867%0.66982%0.817SS**  trans-91.3172.6131.300000108.9
229P49.8Very low47.1Very low122 Ų122153.5 Ų153.579%0.79281%0.81SS**  cis-125.6151.5-40.733.7-18.4000110.7
230A46.6Very low47.5Very low106 Ų106151.8 Ų151.888%0.87681%0.807SS**  trans-120.691.6172.800000112.6
231Q47.7Very low47.9Very low204 Ų204151 Ų15195%0.95381%0.809SS**  trans-60.8131.4143-92.7-179.7-31.500109.1
232G45.4Very low48.4Very low66 Ų66151.9 Ų151.968%0.6881%0.813SS**  trans174.5100.5169.100000110.1
233E45.1Very low48.8Very low181 Ų181148.8 Ų148.885%0.84681%0.814SS**  95.1107.693.5-102.2-172.4100.900113.8
234K54.4Low49.4Very low194 Ų194151.7 Ų151.784%0.84381%0.812SS**  trans12.7117.2139.3-58.6176.4-179.4175.70115.9
235R55.2Low49.9Very low241 Ų241150 Ų15091%0.90981%0.808SS**  trans-136.2116.2146.4-71.3-166.6177.9-175.90.3112.9
236K55.7Low50.4Low172 Ų172147.7 Ų147.775%0.74880%0.796SS**  trans-54.4141.6161.9-168.1175.1-175.5178.80111.7D238K236-D238 WeakPolarHBondContact CE-OD2 3.3Å
237R50Low51Low240 Ų240146.5 Ų146.591%0.90679%0.789SS**  trans-159.5116.3138.9-120.2175.2-106.6-178.2-5.8111.6
238D49.2Very low51.8Low127 Ų127146 Ų14668%0.67979%0.787SS**  trans-59.3151.3166.8-54-96.4000112.5K236K236-D238 WeakPolarHBondContact CE-OD2 3.3Å
239A49.5Very low52.1Low83 Ų83155.2 Ų155.269%0.68682%0.816SS**  168.5121.9120.600000110.9
240D51.4Low52.3Low148 Ų148156.9 Ų156.979%0.79182%0.817SS**  trans55.9107.5142.4-54.8-50.3000119.5
241D56.9Low52.6Low166 Ų166159.6 Ų159.689%0.88881%0.814SS**  -146.5119.5125.3-156.919.3000109.9
242E53.8Low52.8Low181 Ų181157.1 Ų157.185%0.84681%0.807SS**  trans-74.7142.8174.8-63.8-162.4157.500109.6
243G50.4Low53.3Low76 Ų76162.5 Ų162.578%0.78481%0.814SS**  trans-168.368.2177.800000110.1
244D53.9Low53.8Low138 Ų138161.3 Ų161.374%0.73881%0.812SS**  trans-51152.2157.5-153.810.4000110.8
245D57Low53.7Low142 Ų142159.1 Ų159.176%0.75981%0.81SS**  trans146.486.3154.3-75.4-18.7000110
246D56.3Low53.6Low124 Ų124153.3 Ų153.366%0.66380%0.803SS**  56.7139.7110.7-74.3-24000121.8
247D57.1Low53.5Low130 Ų130151.8 Ų151.870%0.69581%0.807SS**  trans82.8103.1141.6-72.6-10000120.6
248D57Low53.7Low145 Ų145144.5 Ų144.578%0.77580%0.799SS**  66.8131.4109.8-75.3-18.3000121.4
249E52.5Low54.2Low274 Ų274146.1 Ų146.1100%1.2881%0.81SS**  trans69.80158.1-69.9-172.9140.600120.8

Retrieved 249 of 249 residues in 85.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).