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Epithelial splicing regulatory protein 1

mRNA splicing factor that regulates the formation of epithelial cell-specific isoforms. Specifically regulates the expression of FGFR2-IIIb, an epithelial cell-specific isoform of FGFR2. Also regulates the splicing of CD44, CTNND1, ENAH, 3 transcripts that undergo changes in splicing during the epithelial-to-mesenchymal transition (EMT). Acts by directly binding specific sequences in mRNAs. Binds the GU-rich sequence motifs in the ISE/ISS-3, a cis-element regulatory region present in the mRNA of FGFR2. Regulates splicing and expression of genes involved in inner ear development, auditory hair cell differentiation, and cell fate specification in the cochlear epithelium.

AlphaFold DB , UniProt , Accession Z4YMQ5, Species MOUSE (Mus musculus, Mouse), Gene Esrp1, Length 500 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1T87.7Confident87.9Confident25 Ų2540.1 Ų40.115%0.15327%0.266CS..  0178049.70000107.7G3 A4 L9 E15 C50 I103T1-G3 PolarHBondContact O-N 2.67Å; T1-G3 PolarHBondContact OG1-N 2.92Å; T1-A4 PolarHBondContact OG1-O 3.04Å; T1-L9 HydrophobicContact CG2-CD1 3.76Å; T1-E15 CarbonylContact C-O 3.42Å; T1-E15 WeakPolarHBondContact CA-O 3.33Å; T1-E15 WeakPolarHBondContact CB-O 3.35Å; T1-C50 PolarHBondContact O-SG 3.16Å; T1-C50 VanDerWaalsContact O-SG 3.35Å; T1-I103 HydrophobicContact CG2-CD1 3.52Å; T1-I103 HydrophobicContact CG2-CG1 3.91Å; T1-I103 HydrophobicContact CG2-CG2 3.97Å
2A85Confident88.2Confident2 Ų241.2 Ų41.22%0.01727%0.268CS..  trans-67.87.6170.400000114.3K14 E15 I17 L46 T47A2-K14 HydrophobicContact CB-CB 4.29Å; A2-E15 PolarHBondContact N-O 2.99Å; A2-I17 HydrophobicContact CB-CG2 3.81Å; A2-L46 HydrophobicContact CB-CD2 3.78Å; A2-T47 PolarHBondContact O-N 3.15Å; A2-T47 PolarHBondContact O-OG1 3.44Å
3G87.6Confident88.3Confident5 Ų543 Ų435%0.05227%0.271CS..SBendtrans-149.4-137.7-169.400000112.3T1 D12T1-G3 PolarHBondContact O-N 2.67Å; T1-G3 PolarHBondContact OG1-N 2.92Å; G3-D12 VanDerWaalsContact CA-OD2 3.25Å; G3-D12 WeakPolarHBondContact CA-OD2 3.46Å
4A85.3Confident88.6Confident24 Ų2443.7 Ų43.720%0.19827%0.268CS..  trans-59.5143.9-171.600000113.5T1 K8 L9 D12T1-A4 PolarHBondContact OG1-O 3.04Å; A4-K8 HydrophobicContact CB-CB 3.9Å; A4-K8 WeakPolarHBondContact CB-O 3.49Å; A4-L9 WeakPolarHBondContact O-CD1 3.18Å; A4-D12 PolarHBondContact N-OD2 3.5Å
5T85.6Confident88.8Confident52 Ų5242.1 Ų42.132%0.31926%0.256SS..  trans-118176.2-178.759.90000111.3A7 K8 Y162T5-A7 PolarHBondContact O-N 2.87Å; T5-K8 PolarHBondContact O-N 2.72Å; T5-Y162 WeakPolarHBondContact CG2-OH 3.25Å
6G86.6Confident89.1Confident48 Ų4840.5 Ų40.550%0.49525%0.245SC..G310 helixtrans57.4-131.9176.100000113.5K8 L9 L98G6-K8 PolarHBondContact O-N 3.43Å; G6-K8 VanDerWaalsContact O-N 3.13Å; G6-L9 VanDerWaalsContact O-CB 3.24Å; G6-L9 WeakPolarHBondContact O-CB 3.47Å; G6-L9 PolarHBondContact O-N 2.94Å; G6-L9 VanDerWaalsContact O-N 3.13Å; G6-L98 WeakPolarHBondContact O-CD1 3.48Å
7A86.9Confident89.4Confident83 Ų8338.2 Ų38.269%0.68623%0.231SC*.G310 helixtrans-65.6-14.2-177.400000114.5T5T5-A7 PolarHBondContact O-N 2.87Å
8K89.1Confident89.6Confident148 Ų14837.4 Ų37.464%0.64323%0.226SC*.G310 helixtrans-102.66.3178.4-66.7-176.2-178.4175.80112.8A4 T5 G6 G10 S11A4-K8 HydrophobicContact CB-CB 3.9Å; A4-K8 WeakPolarHBondContact CB-O 3.49Å; T5-K8 PolarHBondContact O-N 2.72Å; G6-K8 PolarHBondContact O-N 3.43Å; G6-K8 VanDerWaalsContact O-N 3.13Å; K8-G10 PolarHBondContact O-N 3.1Å; K8-G10 VanDerWaalsContact O-N 3.07Å; K8-S11 VanDerWaalsContact O-CB 3.24Å; K8-S11 WeakPolarHBondContact O-CB 3.41Å; K8-S11 PolarHBondContact O-N 2.96Å; K8-S11 PolarHBondContact O-OG 3.44Å
9L91.6Very high89.8Confident13 Ų1337.1 Ų37.17%0.06822%0.222CC..THydrogen-bonded Turntrans-53.7115.2-178-175.968.2000111.2T1 A4 G6 L98 I103T1-L9 HydrophobicContact CG2-CD1 3.76Å; A4-L9 WeakPolarHBondContact O-CD1 3.18Å; G6-L9 VanDerWaalsContact O-CB 3.24Å; G6-L9 WeakPolarHBondContact O-CB 3.47Å; G6-L9 PolarHBondContact O-N 2.94Å; G6-L9 VanDerWaalsContact O-N 3.13Å; L9-L98 HydrophobicContact CB-CB 4.17Å; L9-L98 HydrophobicContact CB-CD1 4Å; L9-L98 HydrophobicContact CD2-CB 3.96Å; L9-L98 HydrophobicContact CG-CB 4.41Å; L9-I103 HydrophobicContact CD1-CD1 4.23Å; L9-I103 HydrophobicContact CD1-CG1 4.16Å; L9-I103 HydrophobicContact CD2-CG1 4.19Å; L9-I103 HydrophobicContact CG-CD1 4.07Å; L9-I103 HydrophobicContact CG-CG1 3.8Å
10G90.3Very high90.1Very high4 Ų437.2 Ų37.24%0.04122%0.221CC..THydrogen-bonded Turntrans88.10.4177.800000115.9K8 D12 H274K8-G10 PolarHBondContact O-N 3.1Å; K8-G10 VanDerWaalsContact O-N 3.07Å; G10-D12 PolarHBondContact O-N 3.41Å; G10-H274 PolarHBondContact O-CE1 3.34Å
11S91.8Very high90.3Very high37 Ų3736.6 Ų36.626%0.25922%0.215SC..THydrogen-bonded Turntrans-72.6-12.217866.30000114.2K8 H274K8-S11 VanDerWaalsContact O-CB 3.24Å; K8-S11 WeakPolarHBondContact O-CB 3.41Å; K8-S11 PolarHBondContact O-N 2.96Å; K8-S11 PolarHBondContact O-OG 3.44Å; S11-H274 PolarHBondContact O-NE2 3.26Å
12D90.5Very high90.7Very high53 Ų5337.3 Ų37.328%0.28322%0.216SC..THydrogen-bonded Turntrans-114.810.4-171.862.8-12.4000114.2G3 A4 G10 K14G3-D12 VanDerWaalsContact CA-OD2 3.25Å; G3-D12 WeakPolarHBondContact CA-OD2 3.46Å; A4-D12 PolarHBondContact N-OD2 3.5Å; G10-D12 PolarHBondContact O-N 3.41Å; D12-K14 HydrophobicContact CB-CG 4.31Å; D12-K14 PolarHBondContact O-N 3.28Å; D12-K14 VanDerWaalsContact O-N 3.07Å; D12-K14 PolarHBondContact OD1-N 3.41Å; D12-K14 WeakPolarHBondContact OD2-CG 3.5Å
13E90.3Very high91.1Very high65 Ų6538.1 Ų38.130%0.30422%0.221SC..  trans5815.6-178.4-54.7-172.296.300114.9H274 H275E13-H274 VanDerWaalsContact CD-CA 3.45Å; E13-H274 HydrophobicContact CG-CB 4.01Å; E13-H274 WeakPolarHBondContact CG-CD2 3.42Å; E13-H274 VanDerWaalsContact CG-CG 3.42Å; E13-H274 WeakPolarHBondContact OE1-CB 3.47Å; E13-H274 IonicContact OE1-CG 2.71Å; E13-H274 VanDerWaalsContact OE2-CA 3.31Å; E13-H274 WeakPolarHBondContact OE2-CA 3.24Å; E13-H275 PolarHBondContact OE1-N 3.27Å; E13-H275 IonicContact OE2-CE1 3.47Å; E13-H275 IonicContact OE2-CG 3.41Å; E13-H275 PolarHBondContact OE2-N 3.42Å; E13-H275 IonicContact OE2-ND1 2.7Å; E13-H275 PolarHBondContact OE2-ND1 3.23Å
14K91.9Very high91.4Very high53 Ų5339.4 Ų39.423%0.2323%0.228CC..PPolyproline II helixtrans-77.8143.1179.6-68.8-66-177.2175.80111.8A2 D12 E45A2-K14 HydrophobicContact CB-CB 4.29Å; D12-K14 HydrophobicContact CB-CG 4.31Å; D12-K14 PolarHBondContact O-N 3.28Å; D12-K14 VanDerWaalsContact O-N 3.07Å; D12-K14 PolarHBondContact OD1-N 3.41Å; D12-K14 WeakPolarHBondContact OD2-CG 3.5Å; K14-E45 IonicContact NZ-OE2 3.83Å; K14-E45 PolarHBondContact NZ-OE2 2.76Å
15E92.5Very high91.6Very high20 Ų2041 Ų419%0.09323%0.233CC..PPolyproline II helixtrans-74.4152.4-168.9-59.9-175.567.700113T1 A2 P41 D42 Q43 K111T1-E15 CarbonylContact C-O 3.42Å; T1-E15 WeakPolarHBondContact CA-O 3.33Å; T1-E15 WeakPolarHBondContact CB-O 3.35Å; A2-E15 PolarHBondContact N-O 2.99Å; E15-P41 HydrophobicContact CB-CB 3.89Å; E15-P41 HydrophobicContact CG-CB 4.29Å; E15-P41 WeakPolarHBondContact OE1-CA 3.41Å; E15-D42 VanDerWaalsContact CD-N 3.31Å; E15-D42 PolarHBondContact OE1-N 2.67Å; E15-D42 PolarHBondContact OE2-N 2.91Å; E15-D42 VanDerWaalsContact OE2-N 3.12Å; E15-Q43 PolarHBondContact OE2-N 3.41Å; E15-K111 WeakPolarHBondContact OE1-CE 3.22Å; E15-K111 IonicContact OE1-NZ 3.91Å; E15-K111 PolarHBondContact OE1-NZ 2.95Å
16L93.4Very high91.9Very high16 Ų1642.5 Ų42.58%0.08424%0.238CC..PPolyproline II helixtrans-66.8129.5167.5-179.969.2000109.1L18 L19 V39 L67 I103 L104 E107L16-L18 VanDerWaalsContact CD1-O 3.3Å; L16-L18 WeakPolarHBondContact CD1-O 3.4Å; L16-L19 HydrophobicContact CD1-CD2 4.28Å; L16-L19 HydrophobicContact CD2-CD1 4.46Å; L16-L19 HydrophobicContact CD2-CD2 3.74Å; L16-L19 HydrophobicContact CD2-CG 4Å; L16-L19 HydrophobicContact CG-CD2 4.49Å; L16-V39 HydrophobicContact CD2-CG2 4.35Å; L16-V39 HydrophobicContact CG-CG2 4.36Å; L16-L67 HydrophobicContact CD2-CD1 3.84Å; L16-I103 HydrophobicContact CB-CG2 3.96Å; L16-I103 HydrophobicContact CD1-CG2 4.08Å; L16-I103 HydrophobicContact CG-CG2 4.49Å; L16-L104 HydrophobicContact CD2-CD1 4.48Å; L16-E107 WeakPolarHBondContact CA-OE2 3.24Å; L16-E107 WeakPolarHBondContact CB-OE2 3.43Å; L16-E107 PolarHBondContact N-OE1 3.31Å; L16-E107 PolarHBondContact N-OE2 3.11Å
17I93.3Very high91.9Very high1 Ų144.5 Ų44.51%0.00525%0.25CS..  trans-122.4-11.4-178.859.6170.3000113.2A2 L38 V39 P41 L46 I56 L61A2-I17 HydrophobicContact CB-CG2 3.81Å; I17-L38 WeakPolarHBondContact O-CA 3.49Å; I17-V39 WeakPolarHBondContact CA-O 3.18Å; I17-V39 PolarHBondContact O-N 3.37Å; I17-P41 HydrophobicContact CG2-CB 4.47Å; I17-P41 HydrophobicContact CG2-CG 4.34Å; I17-L46 HydrophobicContact CD1-CD2 3.85Å; I17-L46 HydrophobicContact CG2-CD2 4.35Å; I17-I56 HydrophobicContact CD1-CD1 4.34Å; I17-L61 HydrophobicContact CB-CD2 3.83Å; I17-L61 HydrophobicContact CG2-CD2 4.3Å
18L92.9Very high92Very high25 Ų2545.5 Ų45.513%0.13124%0.244CC..EExtended strand (participates in β ladder)trans-154126.4-170.8-179.665.1000110L16 L20 E36 L38 I56 Y162L16-L18 VanDerWaalsContact CD1-O 3.3Å; L16-L18 WeakPolarHBondContact CD1-O 3.4Å; L18-L20 HydrophobicContact CD1-CD1 4.22Å; L18-L20 HydrophobicContact CD1-CG 4.2Å; L18-L20 HydrophobicContact CD2-CD1 3.33Å; L18-L20 HydrophobicContact CD2-CG 4.2Å; L18-L20 HydrophobicContact CG-CD1 3.65Å; L18-L20 HydrophobicContact CG-CG 4.04Å; L18-E36 HydrophobicContact CD1-CG 3.67Å; L18-L38 HydrophobicContact CD1-CD2 3.83Å; L18-I56 HydrophobicContact CB-CD1 4.4Å; L18-I56 HydrophobicContact CD2-CD1 4.02Å; L18-Y162 HydrophobicContact CD2-CD1 4.2Å
19L94.6Very high92.1Very high30 Ų3043.3 Ų43.316%0.15724%0.235CC..EExtended strand (participates in β ladder)trans-110.1126.1166.9-70.9172.3000108.3L16 W21 E36 V37 V39 A70 L71L16-L19 HydrophobicContact CD1-CD2 4.28Å; L16-L19 HydrophobicContact CD2-CD1 4.46Å; L16-L19 HydrophobicContact CD2-CD2 3.74Å; L16-L19 HydrophobicContact CD2-CG 4Å; L16-L19 HydrophobicContact CG-CD2 4.49Å; L19-W21 HydrophobicContact CB-CE3 4.1Å; L19-W21 HydrophobicContact CB-CZ3 3.77Å; L19-E36 WeakPolarHBondContact O-CA 3.49Å; L19-V37 PolarHBondContact N-O 3.29Å; L19-V37 PolarHBondContact O-N 2.9Å; L19-V39 HydrophobicContact CD1-CG2 4.23Å; L19-V39 HydrophobicContact CG-CG2 4.21Å; L19-A70 HydrophobicContact CD1-CB 4.35Å; L19-L71 HydrophobicContact CD1-CD2 4.15Å
20L94.4Very high92Very high39 Ų3949.4 Ų49.420%0.20426%0.261CS..EExtended strand (participates in β ladder)trans-127133.3174.7-77.3142.1000108.7L18 L34 H35 E36 Y162 V167L18-L20 HydrophobicContact CD1-CD1 4.22Å; L18-L20 HydrophobicContact CD1-CG 4.2Å; L18-L20 HydrophobicContact CD2-CD1 3.33Å; L18-L20 HydrophobicContact CD2-CG 4.2Å; L18-L20 HydrophobicContact CG-CD1 3.65Å; L18-L20 HydrophobicContact CG-CG 4.04Å; L20-L34 HydrophobicContact CD2-CD1 4.28Å; L20-L34 HydrophobicContact CD2-CD2 4.49Å; L20-H35 WeakPolarHBondContact CA-O 2.98Å; L20-E36 HydrophobicContact CD2-CB 4.12Å; L20-E36 HydrophobicContact CD2-CG 3.93Å; L20-E36 HydrophobicContact CG-CG 4.34Å; L20-Y162 VanDerWaalsContact CD1-O 3.32Å; L20-Y162 WeakPolarHBondContact CD1-O 3.21Å; L20-V167 HydrophobicContact CB-CG2 3.97Å
21W95.4Very high92.1Very high25 Ų2551.1 Ų51.110%0.09527%0.27CS..EExtended strand (participates in β ladder)trans-156.7164.7178.968.9100.3000112.8L19 H35 V37 F74 S77L19-W21 HydrophobicContact CB-CE3 4.1Å; L19-W21 HydrophobicContact CB-CZ3 3.77Å; W21-H35 HydrophobicContact CD2-CB 3.6Å; W21-H35 AromaticContact CE2-CG 3.79Å; W21-H35 HydrophobicContact CE3-CB 4.08Å; W21-H35 HydrophobicContact CG-CB 4.14Å; W21-H35 HydrophobicContact CH2-CB 3.97Å; W21-H35 HydrophobicContact CZ2-CB 3.44Å; W21-H35 VanDerWaalsContact CZ2-CB 3.44Å; W21-H35 HydrophobicContact CZ3-CB 4.24Å; W21-H35 PolarHBondContact N-O 3.15Å; W21-H35 VanDerWaalsContact N-O 3.08Å; W21-H35 AromaticContact NE1-CD2 3.64Å; W21-H35 AromaticContact NE1-CG 3.64Å; W21-H35 PolarHBondContact O-N 3.43Å; W21-V37 HydrophobicContact CH2-CB 4.06Å; W21-V37 HydrophobicContact CH2-CG2 3.5Å; W21-V37 HydrophobicContact CZ3-CB 4.04Å; W21-V37 HydrophobicContact CZ3-CG2 3.97Å; W21-F74 HydrophobicContact CB-CE2 4.21Å; W21-F74 AromaticContact CD1-CE2 3.71Å; W21-F74 AromaticContact CD2-CD2 3.49Å; W21-F74 HydrophobicContact CD2-CD2 3.49Å; W21-F74 VanDerWaalsContact CD2-CD2 3.49Å; W21-F74 AromaticContact CD2-CE2 3.71Å; W21-F74 HydrophobicContact CD2-CE2 3.71Å; W21-F74 AromaticContact CE2-CD2 3.39Å; W21-F74 AromaticContact CE2-CE2 3.83Å; W21-F74 AromaticContact CE3-CD2 3.85Å; W21-F74 HydrophobicContact CE3-CD2 3.85Å; W21-F74 HydrophobicContact CE3-CE2 4.35Å; W21-F74 AromaticContact CG-CD2 3.95Å; W21-F74 HydrophobicContact CG-CD2 3.95Å; W21-F74 AromaticContact CG-CE2 3.63Å; W21-F74 HydrophobicContact CG-CE2 3.63Å; W21-F74 HydrophobicContact CH2-CB 4.13Å; W21-F74 HydrophobicContact CH2-CD2 4Å; W21-F74 HydrophobicContact CZ2-CB 4.12Å; W21-F74 AromaticContact CZ2-CD2 3.67Å; W21-F74 HydrophobicContact CZ2-CD2 3.67Å; W21-F74 HydrophobicContact CZ2-CG 4.31Å; W21-F74 HydrophobicContact CZ3-CD2 4.1Å; W21-F74 AromaticContact NE1-CD2 3.8Å; W21-F74 AromaticContact NE1-CE2 3.82Å; W21-S77 WeakPolarHBondContact CZ2-OG 3.23Å; W21-S77 PolarHBondContact NE1-OG 3.09Å
22K94.8Very high92Very high40 Ų4050.3 Ų50.317%0.17427%0.268CS..  trans-136.7150.9169.6-80.8-171.4154.4-149.20109.8V31 G32 L34 V167 E168K22-V31 HydrophobicContact CB-CG1 4.45Å; K22-V31 HydrophobicContact CD-CG1 3.59Å; K22-G32 WeakPolarHBondContact CE-O 3.41Å; K22-G32 PolarHBondContact NZ-O 3.28Å; K22-G32 VanDerWaalsContact NZ-O 3.09Å; K22-L34 HydrophobicContact CD-CD1 4.43Å; K22-L34 HydrophobicContact CG-CB 4.37Å; K22-L34 HydrophobicContact CG-CD1 4.02Å; K22-V167 HydrophobicContact CB-CG1 3.95Å; K22-V167 HydrophobicContact CD-CG1 4.15Å; K22-V167 HydrophobicContact CG-CG1 3.73Å; K22-E168 WeakPolarHBondContact CE-OE1 3.24Å; K22-E168 WeakPolarHBondContact CE-OE2 3.36Å; K22-E168 IonicContact NZ-OE1 3.76Å; K22-E168 PolarHBondContact NZ-OE1 2.95Å; K22-E168 IonicContact NZ-OE2 2.76Å; K22-E168 PolarHBondContact NZ-OE2 3.33Å
23V94Very high92Very high19 Ų1954.6 Ų54.612%0.11529%0.286CS..  trans-91.7127.1169.4178.40000108.5G32 V78 E81 L82V23-G32 WeakPolarHBondContact O-CA 3.38Å; V23-G32 PolarHBondContact O-N 2.94Å; V23-V78 HydrophobicContact CG2-CG2 4.42Å; V23-E81 HydrophobicContact CB-CG 4.2Å; V23-E81 HydrophobicContact CG1-CG 4.47Å; V23-E81 HydrophobicContact CG2-CB 4.36Å; V23-E81 HydrophobicContact CG2-CG 4.21Å; V23-E81 VanDerWaalsContact CG2-OE2 3.29Å; V23-E81 WeakPolarHBondContact CG2-OE2 3.24Å; V23-L82 HydrophobicContact CG1-CD2 3.49Å; V23-L82 VanDerWaalsContact CG1-CD2 3.49Å; V23-L82 HydrophobicContact CG1-CG 3.99Å
24V93.8Very high92.2Very high33 Ų3353.7 Ų53.720%0.228%0.283CS..EExtended strand (participates in β ladder)trans-108.6112.4173.6-171.50000108.4L26 V31 I174 L175V24-L26 HydrophobicContact CG1-CD2 4.08Å; V24-L26 PolarHBondContact O-N 3.27Å; V24-V31 HydrophobicContact CG1-CG2 4.36Å; V24-V31 HydrophobicContact CG2-CG2 4.39Å; V24-I174 HydrophobicContact CB-CG2 4.47Å; V24-I174 HydrophobicContact CG1-CG2 3.93Å; V24-I174 HydrophobicContact CG2-CD1 4.34Å; V24-L175 HydrophobicContact CG1-CD2 3.77Å; V24-L175 HydrophobicContact CG1-CG 4.35Å
25D90.8Very high92.3Very high56 Ų5653 Ų5330%0.29928%0.281SS..EExtended strand (participates in β ladder)trans-80.7101.5174.3-176-22.3000109A27 N28 K29 K30D25-A27 VanDerWaalsContact C-N 3.28Å; D25-A27 PolarHBondContact O-N 2.84Å; D25-A27 WeakPolarHBondContact OD1-CB 3.32Å; D25-A27 PolarHBondContact OD1-N 3.11Å; D25-N28 HydrophobicContact CB-CB 4.48Å; D25-N28 PolarHBondContact OD1-N 2.79Å; D25-N28 WeakPolarHBondContact OD2-CB 3.29Å; D25-N28 PolarHBondContact OD2-ND2 3.37Å; D25-K29 VanDerWaalsContact O-CA 3.24Å; D25-K29 WeakPolarHBondContact O-CA 3.38Å; D25-K29 PolarHBondContact O-N 3.44Å; D25-K30 PolarHBondContact N-O 2.95Å; D25-K30 PolarHBondContact O-N 2.95Å; D25-K30 VanDerWaalsContact O-N 3.11Å
26L90.3Very high92.3Very high84 Ų8455.3 Ų55.344%0.4429%0.291SS..THydrogen-bonded Turntrans-67.9-27.5-179.1-55-177.3000112.7V24 I174 I178 F186V24-L26 HydrophobicContact CG1-CD2 4.08Å; V24-L26 PolarHBondContact O-N 3.27Å; L26-I174 HydrophobicContact CD2-CG2 3.74Å; L26-I178 HydrophobicContact CB-CD1 4.4Å; L26-I178 HydrophobicContact CD2-CD1 4Å; L26-I178 HydrophobicContact CD2-CG2 4.3Å; L26-F186 HydrophobicContact CD1-CD2 4.3Å
27A87.1Confident92.3Very high90 Ų9055.3 Ų55.374%0.74429%0.292SS*.THydrogen-bonded Turntrans-77.1-43.7-178.100000111D25D25-A27 VanDerWaalsContact C-N 3.28Å; D25-A27 PolarHBondContact O-N 2.84Å; D25-A27 WeakPolarHBondContact OD1-CB 3.32Å; D25-A27 PolarHBondContact OD1-N 3.11Å
28N89.1Confident92.4Very high105 Ų10557.1 Ų57.156%0.56130%0.302SS*.THydrogen-bonded Turntrans-92.1-3179.3-65.6-58.8000113.6D25 K30D25-N28 HydrophobicContact CB-CB 4.48Å; D25-N28 PolarHBondContact OD1-N 2.79Å; D25-N28 WeakPolarHBondContact OD2-CB 3.29Å; D25-N28 PolarHBondContact OD2-ND2 3.37Å; N28-K30 VanDerWaalsContact C-N 3.34Å; N28-K30 HydrophobicContact CB-CD 4.33Å; N28-K30 HydrophobicContact CB-CG 4.41Å; N28-K30 PolarHBondContact O-N 2.81Å
29K91.1Very high92.5Very high101 Ų10155.9 Ų55.944%0.43930%0.295SS..THydrogen-bonded Turntrans52.448.4-176-57.5-171.4173.5-162.60112.5D25 L175 I178 S179D25-K29 VanDerWaalsContact O-CA 3.24Å; D25-K29 WeakPolarHBondContact O-CA 3.38Å; D25-K29 PolarHBondContact O-N 3.44Å; K29-L175 HydrophobicContact CB-CD2 4.2Å; K29-I178 HydrophobicContact CG-CD1 4.06Å; K29-S179 PolarHBondContact NZ-OG 3.06Å; K29-S179 VanDerWaalsContact NZ-OG 3.1Å
30K90.9Very high92.5Very high141 Ų14158.9 Ų58.961%0.61330%0.304SS*.EExtended strand (participates in β ladder)trans-122.7141.8-178.2-74179-177.4179.40111.3D25 N28D25-K30 PolarHBondContact N-O 2.95Å; D25-K30 PolarHBondContact O-N 2.95Å; D25-K30 VanDerWaalsContact O-N 3.11Å; N28-K30 VanDerWaalsContact C-N 3.34Å; N28-K30 HydrophobicContact CB-CD 4.33Å; N28-K30 HydrophobicContact CB-CG 4.41Å; N28-K30 PolarHBondContact O-N 2.81Å
31V91.1Very high92.3Very high41 Ų4157.2 Ų57.225%0.24830%0.296CS..EExtended strand (participates in β ladder)trans-99129.8170.2177.40000108.3K22 V24 L175K22-V31 HydrophobicContact CB-CG1 4.45Å; K22-V31 HydrophobicContact CD-CG1 3.59Å; V24-V31 HydrophobicContact CG1-CG2 4.36Å; V24-V31 HydrophobicContact CG2-CG2 4.39Å; V31-L175 HydrophobicContact CG2-CD1 3.59Å; V31-L175 HydrophobicContact CG2-CD2 4.5Å; V31-L175 HydrophobicContact CG2-CG 3.82Å
32G90.1Very high92.1Very high20 Ų2061 Ų6121%0.20632%0.318CS..  trans-77.1-167.8179.900000114.5K22 V23 E81K22-G32 WeakPolarHBondContact CE-O 3.41Å; K22-G32 PolarHBondContact NZ-O 3.28Å; K22-G32 VanDerWaalsContact NZ-O 3.09Å; V23-G32 WeakPolarHBondContact O-CA 3.38Å; V23-G32 PolarHBondContact O-N 2.94Å; G32-E81 WeakPolarHBondContact CA-OE1 3.29Å
33Q91.4Very high91.6Very high142 Ų14265.1 Ų65.166%0.66434%0.338SS*.  trans-74.4146.7177.6-178.9176.4-500111.1H35 E81Q33-H35 PolarHBondContact O-CD2 3.35Å; Q33-H35 PolarHBondContact O-N 3.34Å; Q33-E81 PolarHBondContact N-OE1 2.91Å
34L92.8Very high90.9Very high47 Ų4768.7 Ų68.725%0.24636%0.356CS..  trans-70.6123.4170.1-175.868.8000109.9L20 K22 A164 V167L20-L34 HydrophobicContact CD2-CD1 4.28Å; L20-L34 HydrophobicContact CD2-CD2 4.49Å; K22-L34 HydrophobicContact CD-CD1 4.43Å; K22-L34 HydrophobicContact CG-CB 4.37Å; K22-L34 HydrophobicContact CG-CD1 4.02Å; L34-A164 HydrophobicContact CD2-CB 3.56Å; L34-V167 HydrophobicContact CD1-CB 4.06Å; L34-V167 HydrophobicContact CD1-CG1 3.83Å
35H94Very high90.2Very high38 Ų3872.3 Ų72.318%0.17637%0.371CS..EExtended strand (participates in β ladder)trans-106.7143.6172.7-63.1-89.8000110.3L20 W21 Q33 E81L20-H35 WeakPolarHBondContact CA-O 2.98Å; W21-H35 HydrophobicContact CD2-CB 3.6Å; W21-H35 AromaticContact CE2-CG 3.79Å; W21-H35 HydrophobicContact CE3-CB 4.08Å; W21-H35 HydrophobicContact CG-CB 4.14Å; W21-H35 HydrophobicContact CH2-CB 3.97Å; W21-H35 HydrophobicContact CZ2-CB 3.44Å; W21-H35 VanDerWaalsContact CZ2-CB 3.44Å; W21-H35 HydrophobicContact CZ3-CB 4.24Å; W21-H35 PolarHBondContact N-O 3.15Å; W21-H35 VanDerWaalsContact N-O 3.08Å; W21-H35 AromaticContact NE1-CD2 3.64Å; W21-H35 AromaticContact NE1-CG 3.64Å; W21-H35 PolarHBondContact O-N 3.43Å; Q33-H35 PolarHBondContact O-CD2 3.35Å; Q33-H35 PolarHBondContact O-N 3.34Å; H35-E81 IonicContact CD2-OE2 3.28Å; H35-E81 IonicContact CE1-OE2 3.43Å; H35-E81 IonicContact NE2-OE2 2.66Å; H35-E81 PolarHBondContact NE2-OE2 3.39Å
36E93.1Very high89.8Confident68 Ų6870.6 Ų70.632%0.31836%0.362SS..EExtended strand (participates in β ladder)trans-141.2128.3-176.8-172.5-174.4161.900108.8L18 L19 L20 R161L18-E36 HydrophobicContact CD1-CG 3.67Å; L19-E36 WeakPolarHBondContact O-CA 3.49Å; L20-E36 HydrophobicContact CD2-CB 4.12Å; L20-E36 HydrophobicContact CD2-CG 3.93Å; L20-E36 HydrophobicContact CG-CG 4.34Å; E36-R161 VanDerWaalsContact OE2-CD 3.23Å; E36-R161 WeakPolarHBondContact OE2-CD 3.26Å; E36-R161 IonicContact OE2-CZ 2.64Å; E36-R161 IonicContact OE2-NE 2.85Å; E36-R161 IonicContact OE2-NH1 2.64Å; E36-R161 PolarHBondContact OE2-NH1 2.7Å
37V94.4Very high89.4Confident16 Ų1668.6 Ų68.610%0.09735%0.353CS..EExtended strand (participates in β ladder)trans-135.6119.6173.3171.30000109.4L19 W21 P65 A70 Q73L19-V37 PolarHBondContact N-O 3.29Å; L19-V37 PolarHBondContact O-N 2.9Å; W21-V37 HydrophobicContact CH2-CB 4.06Å; W21-V37 HydrophobicContact CH2-CG2 3.5Å; W21-V37 HydrophobicContact CZ3-CB 4.04Å; W21-V37 HydrophobicContact CZ3-CG2 3.97Å; V37-P65 HydrophobicContact CG1-CG 4.09Å; V37-A70 HydrophobicContact CG1-CB 3.57Å; V37-Q73 HydrophobicContact CG2-CB 4.47Å
38L94.1Very high89.1Confident39 Ų3969.8 Ų69.820%0.20434%0.343CS..EExtended strand (participates in β ladder)trans-70.8145.8168.2-66.1174.9000110.1I17 L18 I56 N60 L61 A64 P65I17-L38 WeakPolarHBondContact O-CA 3.49Å; L18-L38 HydrophobicContact CD1-CD2 3.83Å; L38-I56 HydrophobicContact CD2-CD1 3.98Å; L38-I56 HydrophobicContact CD2-CG1 4.5Å; L38-I56 HydrophobicContact CD2-CG2 4.23Å; L38-N60 HydrophobicContact CD1-CB 3.88Å; L38-L61 HydrophobicContact CB-CD2 4.46Å; L38-L61 HydrophobicContact CD2-CD2 4.24Å; L38-A64 HydrophobicContact CB-CB 3.7Å; L38-P65 WeakPolarHBondContact O-CD 3.47Å; L38-P65 WeakPolarHBondContact O-CG 3.23Å
39V94.9Very high88.7Confident0 Ų070.3 Ų70.30%035%0.346CS..  trans-121.8124.9178.2-175.50000108.3L16 I17 L19 P41 L67 A70L16-V39 HydrophobicContact CD2-CG2 4.35Å; L16-V39 HydrophobicContact CG-CG2 4.36Å; I17-V39 WeakPolarHBondContact CA-O 3.18Å; I17-V39 PolarHBondContact O-N 3.37Å; L19-V39 HydrophobicContact CD1-CG2 4.23Å; L19-V39 HydrophobicContact CG-CG2 4.21Å; V39-P41 WeakPolarHBondContact O-CD 3.49Å; V39-L67 HydrophobicContact CG1-CB 4.1Å; V39-L67 HydrophobicContact CG1-CD1 4.2Å; V39-A70 HydrophobicContact CG2-CB 3.78Å
40R94.3Very high88.3Confident92 Ų9265.6 Ų65.635%0.34733%0.325SS..  trans-74.1121.9177.7-175.4174.873.4177.81.6110.4L61 S62 A64 P65R40-L61 WeakPolarHBondContact CB-O 3.23Å; R40-L61 WeakPolarHBondContact CG-O 3.37Å; R40-S62 VanDerWaalsContact CD-O 3.26Å; R40-S62 WeakPolarHBondContact CD-O 3.46Å; R40-A64 HydrophobicContact CB-CB 4.14Å; R40-A64 WeakPolarHBondContact CB-O 3.43Å; R40-P65 PolarHBondContact N-O 2.95Å
41P91.7Very high87.9Confident5 Ų563.1 Ų63.13%0.03231%0.314CS..  trans-74.2153.2172.632.9-35000110.8E15 I17 V39 Q43 L44E15-P41 HydrophobicContact CB-CB 3.89Å; E15-P41 HydrophobicContact CG-CB 4.29Å; E15-P41 WeakPolarHBondContact OE1-CA 3.41Å; I17-P41 HydrophobicContact CG2-CB 4.47Å; I17-P41 HydrophobicContact CG2-CG 4.34Å; V39-P41 WeakPolarHBondContact O-CD 3.49Å; P41-Q43 VanDerWaalsContact C-N 3.31Å; P41-Q43 WeakPolarHBondContact CB-O 3.32Å; P41-L44 HydrophobicContact CG-CD2 4Å; P41-L44 HydrophobicContact CG-CG 4.07Å
42D89.6Confident87.5Confident104 Ų10468.2 Ų68.256%0.55634%0.336SS*.SBendtrans-70.9-33.6173.5-68.3-22.9000110.6E15 K111E15-D42 VanDerWaalsContact CD-N 3.31Å; E15-D42 PolarHBondContact OE1-N 2.67Å; E15-D42 PolarHBondContact OE2-N 2.91Å; E15-D42 VanDerWaalsContact OE2-N 3.12Å; D42-K111 VanDerWaalsContact OD2-CE 3.31Å; D42-K111 WeakPolarHBondContact OD2-CE 3.17Å
43Q85.3Confident87Confident127 Ų12771.8 Ų71.859%0.59335%0.347SS*.SBendtrans-116.9111.4171.6-67.3179.3-23.500109.2E15 P41 E45E15-Q43 PolarHBondContact OE2-N 3.41Å; P41-Q43 VanDerWaalsContact C-N 3.31Å; P41-Q43 WeakPolarHBondContact CB-O 3.32Å; Q43-E45 PolarHBondContact O-N 3.04Å
44L78.9Confident86.5Confident94 Ų9465.7 Ų65.749%0.49232%0.319SS..  trans-70.866.7175.2-88155.1000111.1P41 L61P41-L44 HydrophobicContact CG-CD2 4Å; P41-L44 HydrophobicContact CG-CG 4.07Å; L44-L61 HydrophobicContact CD2-CB 3.99Å
45E79.4Confident85.9Confident108 Ų10872 Ų7251%0.50535%0.345SS..  trans-117.985.9175.3-70.2-170.5177.200110.4K14 Q43K14-E45 IonicContact NZ-OE2 3.83Å; K14-E45 PolarHBondContact NZ-OE2 2.76Å; Q43-E45 PolarHBondContact O-N 3.04Å
46L82.3Confident85.3Confident21 Ų2171.3 Ų71.311%0.1134%0.342CS..  trans-80.9131.2169.3-59.6174.8000109.7A2 I17 K51 L61A2-L46 HydrophobicContact CB-CD2 3.78Å; I17-L46 HydrophobicContact CD1-CD2 3.85Å; I17-L46 HydrophobicContact CG2-CD2 4.35Å; L46-K51 HydrophobicContact CB-CD 4.47Å; L46-K51 HydrophobicContact CB-CG 3.91Å; L46-K51 HydrophobicContact CD1-CG 4.13Å; L46-L61 HydrophobicContact CD1-CD1 3.82Å; L46-L61 HydrophobicContact CD2-CD1 3.85Å; L46-L61 HydrophobicContact CG-CD1 4.27Å
47T82.8Confident84.5Confident41 Ų4171.4 Ų71.425%0.25235%0.345SS..  trans-65.3154.7167.559.70000110.7A2 D49 C50 K51A2-T47 PolarHBondContact O-N 3.15Å; A2-T47 PolarHBondContact O-OG1 3.44Å; T47-D49 VanDerWaalsContact C-N 3.32Å; T47-D49 PolarHBondContact O-N 2.64Å; T47-C50 WeakPolarHBondContact O-CB 3.36Å; T47-C50 PolarHBondContact O-N 2.64Å; T47-C50 VanDerWaalsContact O-N 3.15Å; T47-C50 VanDerWaalsContact OG1-CB 3.23Å; T47-C50 WeakPolarHBondContact OG1-CB 3.37Å; T47-C50 PolarHBondContact OG1-N 3.09Å; T47-K51 PolarHBondContact O-N 3.01Å; T47-K51 VanDerWaalsContact O-N 3.11Å
48E80.9Confident83.8Confident116 Ų11673.4 Ų73.454%0.54236%0.363SS..Hα-helixtrans-60.3-44.1177.3-62.9-53.3121.700111.2C50 K51 E52E48-C50 VanDerWaalsContact C-N 3.25Å; E48-C50 PolarHBondContact O-N 3.05Å; E48-K51 WeakPolarHBondContact O-CB 3.23Å; E48-K51 PolarHBondContact O-N 3.36Å; E48-K51 IonicContact OE1-NZ 2.88Å; E48-K51 PolarHBondContact OE1-NZ 3.33Å; E48-K51 IonicContact OE2-NZ 3.18Å; E48-E52 PolarHBondContact O-N 3.12Å
49D79.3Confident83.2Confident115 Ų11578.9 Ų78.962%0.61539%0.388SS*.Hα-helixtrans-53-42.6173.5-55.1-10.1000112T47 E52 E53T47-D49 VanDerWaalsContact C-N 3.32Å; T47-D49 PolarHBondContact O-N 2.64Å; D49-E52 PolarHBondContact O-N 3.3Å; D49-E53 WeakPolarHBondContact O-CB 3.3Å; D49-E53 WeakPolarHBondContact O-CG 3.41Å; D49-E53 PolarHBondContact O-N 3.45Å
50C83.5Confident82.6Confident2 Ų282.9 Ų82.91%0.01441%0.409CS..Hα-helixtrans-64.9-41.5177.5178.20000111.7T1 T47 E48 T54T1-C50 PolarHBondContact O-SG 3.16Å; T1-C50 VanDerWaalsContact O-SG 3.35Å; T47-C50 WeakPolarHBondContact O-CB 3.36Å; T47-C50 PolarHBondContact O-N 2.64Å; T47-C50 VanDerWaalsContact O-N 3.15Å; T47-C50 VanDerWaalsContact OG1-CB 3.23Å; T47-C50 WeakPolarHBondContact OG1-CB 3.37Å; T47-C50 PolarHBondContact OG1-N 3.09Å; E48-C50 VanDerWaalsContact C-N 3.25Å; E48-C50 PolarHBondContact O-N 3.05Å; C50-T54 VanDerWaalsContact O-CB 3.28Å; C50-T54 WeakPolarHBondContact O-CB 3.25Å; C50-T54 VanDerWaalsContact O-CG2 3.28Å; C50-T54 WeakPolarHBondContact O-CG2 3.48Å; C50-T54 PolarHBondContact O-N 3.22Å; C50-T54 PolarHBondContact O-OG1 2.95Å
51K83.1Confident82.3Confident89 Ų8978.5 Ų78.539%0.38739%0.393SS..Hα-helixtrans-65.8-42.9179.2-65.9172.8-170.11640111.2L46 T47 E48 K55L46-K51 HydrophobicContact CB-CD 4.47Å; L46-K51 HydrophobicContact CB-CG 3.91Å; L46-K51 HydrophobicContact CD1-CG 4.13Å; T47-K51 PolarHBondContact O-N 3.01Å; T47-K51 VanDerWaalsContact O-N 3.11Å; E48-K51 WeakPolarHBondContact O-CB 3.23Å; E48-K51 PolarHBondContact O-N 3.36Å; E48-K51 IonicContact OE1-NZ 2.88Å; E48-K51 PolarHBondContact OE1-NZ 3.33Å; E48-K51 IonicContact OE2-NZ 3.18Å; K51-K55 WeakPolarHBondContact O-CA 3.38Å; K51-K55 PolarHBondContact O-N 3.42Å; K51-K55 VanDerWaalsContact O-N 3.07Å
52E80.7Confident82.1Confident149 Ų14981.1 Ų81.170%0.69641%0.411SS*.Hα-helixtrans-64.7-46179.3-70.7-174.6177.900112E48 D49E48-E52 PolarHBondContact O-N 3.12Å; D49-E52 PolarHBondContact O-N 3.3Å
53E79.9Confident82.1Confident94 Ų9480.7 Ų80.744%0.43942%0.416SS..Hα-helixtrans-72.3-50.2-178.8-77.2-170.3-173.200112.7D49 Y162D49-E53 WeakPolarHBondContact O-CB 3.3Å; D49-E53 WeakPolarHBondContact O-CG 3.41Å; D49-E53 PolarHBondContact O-N 3.45Å; E53-Y162 HydrophobicContact CB-CD2 4.25Å; E53-Y162 HydrophobicContact CB-CE2 3.77Å; E53-Y162 VanDerWaalsContact O-CD2 3.3Å; E53-Y162 WeakPolarHBondContact O-CD2 3.3Å; E53-Y162 PolarHBondContact OE2-OH 3.29Å; E53-Y162 VanDerWaalsContact OE2-OH 3.11Å
54T80.7Confident82.5Confident14 Ų1475.1 Ų75.19%0.08639%0.391CS..Hα-helixtrans-83.5-26.6-16968.40000112.8C50 I56 Y162C50-T54 VanDerWaalsContact O-CB 3.28Å; C50-T54 WeakPolarHBondContact O-CB 3.25Å; C50-T54 VanDerWaalsContact O-CG2 3.28Å; C50-T54 WeakPolarHBondContact O-CG2 3.48Å; C50-T54 PolarHBondContact O-N 3.22Å; C50-T54 PolarHBondContact O-OG1 2.95Å; T54-I56 HydrophobicContact CG2-CD1 4.47Å; T54-I56 PolarHBondContact O-N 3.3Å; T54-I56 VanDerWaalsContact O-N 3.1Å; T54-I56 PolarHBondContact OG1-N 2.99Å; T54-Y162 HydrophobicContact CG2-CD1 3.75Å; T54-Y162 HydrophobicContact CG2-CD2 4.25Å; T54-Y162 HydrophobicContact CG2-CE1 3.76Å; T54-Y162 HydrophobicContact CG2-CE2 4.26Å; T54-Y162 HydrophobicContact CG2-CG 3.98Å
55K81.6Confident83.3Confident180 Ų18071.9 Ų71.978%0.78338%0.376SS*.  trans53.420.9-170-54.6-179.1-178.5176.30113.7K51 D57K51-K55 WeakPolarHBondContact O-CA 3.38Å; K51-K55 PolarHBondContact O-N 3.42Å; K51-K55 VanDerWaalsContact O-N 3.07Å; K55-D57 PolarHBondContact O-N 2.9Å
56I81.2Confident84.1Confident24 Ų2470.1 Ų70.112%0.12337%0.368CS..  trans-77.1123.7176-65.1171.1000107.8I17 L18 L38 T54 L61I17-I56 HydrophobicContact CD1-CD1 4.34Å; L18-I56 HydrophobicContact CB-CD1 4.4Å; L18-I56 HydrophobicContact CD2-CD1 4.02Å; L38-I56 HydrophobicContact CD2-CD1 3.98Å; L38-I56 HydrophobicContact CD2-CG1 4.5Å; L38-I56 HydrophobicContact CD2-CG2 4.23Å; T54-I56 HydrophobicContact CG2-CD1 4.47Å; T54-I56 PolarHBondContact O-N 3.3Å; T54-I56 VanDerWaalsContact O-N 3.1Å; T54-I56 PolarHBondContact OG1-N 2.99Å; I56-L61 HydrophobicContact CG2-CD1 3.58Å; I56-L61 HydrophobicContact CG2-CD2 4.1Å; I56-L61 HydrophobicContact CG2-CG 3.55Å
57D76.9Confident84.7Confident70 Ų7069.2 Ų69.237%0.37436%0.363SS..  trans-77.1153.7174.960.432.8000111.7K55 E59 N60 L61K55-D57 PolarHBondContact O-N 2.9Å; D57-E59 PolarHBondContact O-N 3.23Å; D57-N60 WeakPolarHBondContact OD1-CA 3.36Å; D57-N60 WeakPolarHBondContact OD1-CB 3.49Å; D57-N60 PolarHBondContact OD1-N 2.81Å; D57-N60 PolarHBondContact OD1-ND2 3.34Å; D57-N60 PolarHBondContact OD2-ND2 3.46Å; D57-L61 PolarHBondContact O-N 3.1Å
58A79.1Confident85.3Confident57 Ų5769.5 Ų69.547%0.47136%0.363SS..Hα-helixtrans-69.1-25.3178.500000112.3S62A58-S62 WeakPolarHBondContact O-CB 3.47Å; A58-S62 PolarHBondContact O-N 3.32Å
59E80.7Confident86Confident155 Ų15567.9 Ų67.972%0.72436%0.356SS*.Hα-helixtrans-69.7-45.8-179.2-69-172.3173.300111.8D57 L61 S62 S63D57-E59 PolarHBondContact O-N 3.23Å; E59-L61 VanDerWaalsContact C-N 3.31Å; E59-L61 PolarHBondContact O-N 3.33Å; E59-S62 PolarHBondContact O-N 3.1Å; E59-S62 PolarHBondContact O-OG 2.91Å; E59-S63 PolarHBondContact O-N 2.88Å; E59-S63 PolarHBondContact O-OG 3.08Å
60N83.4Confident86.8Confident84 Ų8462.4 Ų62.445%0.44933%0.326SS..Hα-helixtrans-65.5-35.7176-66.8-37.9000111.4L38 D57 S62 S63 A64L38-N60 HydrophobicContact CD1-CB 3.88Å; D57-N60 WeakPolarHBondContact OD1-CA 3.36Å; D57-N60 WeakPolarHBondContact OD1-CB 3.49Å; D57-N60 PolarHBondContact OD1-N 2.81Å; D57-N60 PolarHBondContact OD1-ND2 3.34Å; D57-N60 PolarHBondContact OD2-ND2 3.46Å; N60-S62 VanDerWaalsContact C-N 3.34Å; N60-S62 PolarHBondContact O-N 3.49Å; N60-S63 PolarHBondContact O-N 3.27Å; N60-S63 PolarHBondContact O-OG 2.89Å; N60-S63 VanDerWaalsContact O-OG 3.14Å; N60-A64 PolarHBondContact O-N 3.17Å; N60-A64 VanDerWaalsContact O-N 3.15Å
61L87.6Confident87.4Confident0 Ų062.4 Ų62.40%033%0.326CS..Hα-helixtrans-66.6-35.3174.4-75.8168.9000112.9I17 L38 R40 L44 L46 I56 D57 E59 S63 A64I17-L61 HydrophobicContact CB-CD2 3.83Å; I17-L61 HydrophobicContact CG2-CD2 4.3Å; L38-L61 HydrophobicContact CB-CD2 4.46Å; L38-L61 HydrophobicContact CD2-CD2 4.24Å; R40-L61 WeakPolarHBondContact CB-O 3.23Å; R40-L61 WeakPolarHBondContact CG-O 3.37Å; L44-L61 HydrophobicContact CD2-CB 3.99Å; L46-L61 HydrophobicContact CD1-CD1 3.82Å; L46-L61 HydrophobicContact CD2-CD1 3.85Å; L46-L61 HydrophobicContact CG-CD1 4.27Å; I56-L61 HydrophobicContact CG2-CD1 3.58Å; I56-L61 HydrophobicContact CG2-CD2 4.1Å; I56-L61 HydrophobicContact CG2-CG 3.55Å; D57-L61 PolarHBondContact O-N 3.1Å; E59-L61 VanDerWaalsContact C-N 3.31Å; E59-L61 PolarHBondContact O-N 3.33Å; L61-S63 VanDerWaalsContact C-N 3.26Å; L61-S63 PolarHBondContact O-N 2.79Å; L61-A64 WeakPolarHBondContact O-CB 3.24Å; L61-A64 PolarHBondContact O-N 3.39Å
62S87.3Confident87.8Confident59 Ų5965.5 Ų65.541%0.41334%0.336SS..Hα-helixtrans-65.3-31.6179.676.80000113R40 A58 E59 N60R40-S62 VanDerWaalsContact CD-O 3.26Å; R40-S62 WeakPolarHBondContact CD-O 3.46Å; A58-S62 WeakPolarHBondContact O-CB 3.47Å; A58-S62 PolarHBondContact O-N 3.32Å; E59-S62 PolarHBondContact O-N 3.1Å; E59-S62 PolarHBondContact O-OG 2.91Å; N60-S62 VanDerWaalsContact C-N 3.34Å; N60-S62 PolarHBondContact O-N 3.49Å
63S89.9Confident88.5Confident95 Ų9562.3 Ų62.366%0.66432%0.321SS*.Hα-helixtrans-92.4-5.8178.361.30000113.7E59 N60 L61E59-S63 PolarHBondContact O-N 2.88Å; E59-S63 PolarHBondContact O-OG 3.08Å; N60-S63 PolarHBondContact O-N 3.27Å; N60-S63 PolarHBondContact O-OG 2.89Å; N60-S63 VanDerWaalsContact O-OG 3.14Å; L61-S63 VanDerWaalsContact C-N 3.26Å; L61-S63 PolarHBondContact O-N 2.79Å
64A93.8Very high89.1Confident10 Ų1058.4 Ų58.48%0.08330%0.302CS..SBendtrans-67.1155.9-179.900000112.9L38 R40 N60 L61L38-A64 HydrophobicContact CB-CB 3.7Å; R40-A64 HydrophobicContact CB-CB 4.14Å; R40-A64 WeakPolarHBondContact CB-O 3.43Å; N60-A64 PolarHBondContact O-N 3.17Å; N60-A64 VanDerWaalsContact O-N 3.15Å; L61-A64 WeakPolarHBondContact O-CB 3.24Å; L61-A64 PolarHBondContact O-N 3.39Å
65P95.6Very high89.6Confident27 Ų2759.4 Ų59.418%0.17531%0.307CS..PPolyproline II helixtrans-64.3153.8173.826-34.2000112.3V37 L38 R40 Q69 A70V37-P65 HydrophobicContact CG1-CG 4.09Å; L38-P65 WeakPolarHBondContact O-CD 3.47Å; L38-P65 WeakPolarHBondContact O-CG 3.23Å; R40-P65 PolarHBondContact N-O 2.95Å; P65-Q69 HydrophobicContact CB-CB 3.74Å; P65-A70 HydrophobicContact CG-CB 4.31Å
66Q95.4Very high90Very high71 Ų7156.7 Ų56.733%0.33230%0.297SS..PPolyproline II helixtrans-68.5162167.5-73.3-177-42.800111.2D68 Q69 A70Q66-D68 VanDerWaalsContact C-N 3.28Å; Q66-D68 VanDerWaalsContact CB-OD1 3.25Å; Q66-D68 WeakPolarHBondContact CB-OD1 3.48Å; Q66-D68 PolarHBondContact O-N 3.29Å; Q66-Q69 WeakPolarHBondContact O-CB 3.38Å; Q66-Q69 PolarHBondContact O-N 3.17Å; Q66-A70 PolarHBondContact O-N 3.14Å
67L96Very high90.4Very high2 Ų256.6 Ų56.61%0.0130%0.299CS..Hα-helixtrans-51.7-44.1-176.1179.561.9000113.1L16 V39 Q69 A70 L71 L104 E107 A108 K111 V113L16-L67 HydrophobicContact CD2-CD1 3.84Å; V39-L67 HydrophobicContact CG1-CB 4.1Å; V39-L67 HydrophobicContact CG1-CD1 4.2Å; L67-Q69 VanDerWaalsContact C-N 3.31Å; L67-Q69 PolarHBondContact O-N 2.89Å; L67-A70 PolarHBondContact O-N 3.36Å; L67-L71 HydrophobicContact CD1-CD1 4.07Å; L67-L71 HydrophobicContact CD1-CG 4.06Å; L67-L71 HydrophobicContact CG-CD1 4.02Å; L67-L71 HydrophobicContact CG-CG 4.41Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 VanDerWaalsContact O-CG 3.23Å; L67-L71 WeakPolarHBondContact O-CG 3.42Å; L67-L71 PolarHBondContact O-N 3.41Å; L67-L104 HydrophobicContact CD1-CD1 4.49Å; L67-E107 HydrophobicContact CD2-CB 4.43Å; L67-E107 HydrophobicContact CD2-CG 3.94Å; L67-A108 HydrophobicContact CD2-CB 4.35Å; L67-K111 HydrophobicContact CB-CD 4.16Å; L67-K111 HydrophobicContact CD2-CD 4.08Å; L67-V113 HydrophobicContact CD2-CG2 4.49Å
68D95.4Very high91Very high47 Ų4753.5 Ų53.525%0.25128%0.282SS..Hα-helixtrans-64.3-34179.369.1-61.6000113Q66 R72 V113Q66-D68 VanDerWaalsContact C-N 3.28Å; Q66-D68 VanDerWaalsContact CB-OD1 3.25Å; Q66-D68 WeakPolarHBondContact CB-OD1 3.48Å; Q66-D68 PolarHBondContact O-N 3.29Å; D68-R72 WeakPolarHBondContact O-CG 3.42Å; D68-R72 PolarHBondContact O-N 2.91Å; D68-R72 PolarHBondContact O-NE 3.33Å; D68-R72 IonicContact OD2-CZ 2.79Å; D68-R72 IonicContact OD2-NH2 2.73Å; D68-R72 PolarHBondContact OD2-NH2 3.43Å; D68-V113 HydrophobicContact CB-CG1 3.83Å; D68-V113 HydrophobicContact CB-CG2 4Å
69Q95.6Very high91.3Very high81 Ų8153 Ų5338%0.37928%0.275SS..Hα-helixtrans-76.4-42.3176.7-65.2175.620.500110.6P65 Q66 L67 L71 R72 Q73P65-Q69 HydrophobicContact CB-CB 3.74Å; Q66-Q69 WeakPolarHBondContact O-CB 3.38Å; Q66-Q69 PolarHBondContact O-N 3.17Å; L67-Q69 VanDerWaalsContact C-N 3.31Å; L67-Q69 PolarHBondContact O-N 2.89Å; Q69-L71 VanDerWaalsContact C-N 3.35Å; Q69-L71 PolarHBondContact O-N 3.33Å; Q69-R72 WeakPolarHBondContact O-CB 3.49Å; Q69-R72 PolarHBondContact O-N 2.76Å; Q69-R72 VanDerWaalsContact O-N 3.16Å; Q69-Q73 WeakPolarHBondContact O-CG 3.47Å; Q69-Q73 PolarHBondContact O-N 3.08Å
70A96.1Very high91.6Very high0 Ų050.8 Ų50.80%027%0.268CS..Hα-helixtrans-59.7-43.4175.300000111.9L19 V37 V39 P65 Q66 L67 R72 Q73 F74L19-A70 HydrophobicContact CD1-CB 4.35Å; V37-A70 HydrophobicContact CG1-CB 3.57Å; V39-A70 HydrophobicContact CG2-CB 3.78Å; P65-A70 HydrophobicContact CG-CB 4.31Å; Q66-A70 PolarHBondContact O-N 3.14Å; L67-A70 PolarHBondContact O-N 3.36Å; A70-R72 VanDerWaalsContact C-N 3.32Å; A70-R72 PolarHBondContact O-N 3.4Å; A70-Q73 WeakPolarHBondContact O-CB 3.44Å; A70-Q73 PolarHBondContact O-N 2.82Å; A70-F74 PolarHBondContact O-N 2.95Å
71L95.2Very high91.7Very high3 Ų349.8 Ų49.82%0.01626%0.261CS..Hα-helixtrans-67.8-30.2176-66.7174.4000113L19 L67 Q69 N75 L104 V113 L115 F119L19-L71 HydrophobicContact CD1-CD2 4.15Å; L67-L71 HydrophobicContact CD1-CD1 4.07Å; L67-L71 HydrophobicContact CD1-CG 4.06Å; L67-L71 HydrophobicContact CG-CD1 4.02Å; L67-L71 HydrophobicContact CG-CG 4.41Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 VanDerWaalsContact O-CG 3.23Å; L67-L71 WeakPolarHBondContact O-CG 3.42Å; L67-L71 PolarHBondContact O-N 3.41Å; Q69-L71 VanDerWaalsContact C-N 3.35Å; Q69-L71 PolarHBondContact O-N 3.33Å; L71-N75 PolarHBondContact O-N 2.73Å; L71-N75 VanDerWaalsContact O-N 3.1Å; L71-N75 PolarHBondContact O-ND2 2.92Å; L71-L104 HydrophobicContact CD1-CD1 4.41Å; L71-L104 HydrophobicContact CD2-CD1 3.99Å; L71-V113 HydrophobicContact CD1-CG1 4.15Å; L71-L115 HydrophobicContact CD1-CD2 3.59Å; L71-F119 HydrophobicContact CD2-CE1 4.3Å; L71-F119 HydrophobicContact CD2-CE2 3.94Å; L71-F119 HydrophobicContact CD2-CZ 3.63Å
72R92.9Very high91.3Very high153 Ų15351.5 Ų51.558%0.57727%0.27SS*.Hα-helixtrans-68.8-43.7171.5-79.4-176.9-78.3-172.9-0.2111.5D68 Q69 A70 F74 N75 Q76D68-R72 WeakPolarHBondContact O-CG 3.42Å; D68-R72 PolarHBondContact O-N 2.91Å; D68-R72 PolarHBondContact O-NE 3.33Å; D68-R72 IonicContact OD2-CZ 2.79Å; D68-R72 IonicContact OD2-NH2 2.73Å; D68-R72 PolarHBondContact OD2-NH2 3.43Å; Q69-R72 WeakPolarHBondContact O-CB 3.49Å; Q69-R72 PolarHBondContact O-N 2.76Å; Q69-R72 VanDerWaalsContact O-N 3.16Å; A70-R72 VanDerWaalsContact C-N 3.32Å; A70-R72 PolarHBondContact O-N 3.4Å; R72-F74 VanDerWaalsContact C-N 3.33Å; R72-F74 PolarHBondContact O-N 3.37Å; R72-N75 PolarHBondContact O-N 3.29Å; R72-Q76 WeakPolarHBondContact O-CB 3.38Å; R72-Q76 PolarHBondContact O-N 2.72Å
73Q93.8Very high90.4Very high82 Ų8255.3 Ų55.338%0.38329%0.286SS..Hα-helixtrans-60.3-43.5174-70.2176.35.700111.4V37 Q69 A70 Q76 S77V37-Q73 HydrophobicContact CG2-CB 4.47Å; Q69-Q73 WeakPolarHBondContact O-CG 3.47Å; Q69-Q73 PolarHBondContact O-N 3.08Å; A70-Q73 WeakPolarHBondContact O-CB 3.44Å; A70-Q73 PolarHBondContact O-N 2.82Å; Q73-Q76 PolarHBondContact O-N 3.48Å; Q73-S77 PolarHBondContact O-N 3.02Å
74F93.9Very high89Confident13 Ų1354.1 Ų54.16%0.05727%0.271CS..Hα-helixtrans-54.1-54.6173.2171-90.7000111.9W21 A70 R72 Q76 S77 V78 L92 F119W21-F74 HydrophobicContact CB-CE2 4.21Å; W21-F74 AromaticContact CD1-CE2 3.71Å; W21-F74 AromaticContact CD2-CD2 3.49Å; W21-F74 HydrophobicContact CD2-CD2 3.49Å; W21-F74 VanDerWaalsContact CD2-CD2 3.49Å; W21-F74 AromaticContact CD2-CE2 3.71Å; W21-F74 HydrophobicContact CD2-CE2 3.71Å; W21-F74 AromaticContact CE2-CD2 3.39Å; W21-F74 AromaticContact CE2-CE2 3.83Å; W21-F74 AromaticContact CE3-CD2 3.85Å; W21-F74 HydrophobicContact CE3-CD2 3.85Å; W21-F74 HydrophobicContact CE3-CE2 4.35Å; W21-F74 AromaticContact CG-CD2 3.95Å; W21-F74 HydrophobicContact CG-CD2 3.95Å; W21-F74 AromaticContact CG-CE2 3.63Å; W21-F74 HydrophobicContact CG-CE2 3.63Å; W21-F74 HydrophobicContact CH2-CB 4.13Å; W21-F74 HydrophobicContact CH2-CD2 4Å; W21-F74 HydrophobicContact CZ2-CB 4.12Å; W21-F74 AromaticContact CZ2-CD2 3.67Å; W21-F74 HydrophobicContact CZ2-CD2 3.67Å; W21-F74 HydrophobicContact CZ2-CG 4.31Å; W21-F74 HydrophobicContact CZ3-CD2 4.1Å; W21-F74 AromaticContact NE1-CD2 3.8Å; W21-F74 AromaticContact NE1-CE2 3.82Å; A70-F74 PolarHBondContact O-N 2.95Å; R72-F74 VanDerWaalsContact C-N 3.33Å; R72-F74 PolarHBondContact O-N 3.37Å; F74-Q76 VanDerWaalsContact C-N 3.28Å; F74-Q76 PolarHBondContact O-N 2.82Å; F74-S77 PolarHBondContact O-N 3.27Å; F74-S77 PolarHBondContact O-OG 3.24Å; F74-V78 HydrophobicContact CD2-CG2 4.4Å; F74-V78 HydrophobicContact CE1-CG2 4.12Å; F74-V78 HydrophobicContact CE2-CG2 3.97Å; F74-V78 HydrophobicContact CZ-CG2 3.81Å; F74-V78 WeakPolarHBondContact O-CG2 3.42Å; F74-V78 PolarHBondContact O-N 3.19Å; F74-L92 HydrophobicContact CE1-CD2 4.18Å; F74-L92 HydrophobicContact CZ-CD2 3.63Å; F74-F119 HydrophobicContact CD1-CE2 4.11Å; F74-F119 AromaticContact CD1-CZ 3.55Å; F74-F119 HydrophobicContact CD1-CZ 3.55Å; F74-F119 HydrophobicContact CE1-CE1 4.23Å; F74-F119 HydrophobicContact CE1-CE2 4.21Å; F74-F119 AromaticContact CE1-CZ 3.57Å; F74-F119 HydrophobicContact CE1-CZ 3.57Å; F74-F119 HydrophobicContact CG-CZ 4.29Å; F74-F119 HydrophobicContact CZ-CZ 4.33Å
75N90.5Very high87.3Confident34 Ų3455.9 Ų55.918%0.18229%0.29CS..Hα-helixtrans-63.3-37.6-179.2-77.9-59.8000112.3L71 R72 S79 P116L71-N75 PolarHBondContact O-N 2.73Å; L71-N75 VanDerWaalsContact O-N 3.1Å; L71-N75 PolarHBondContact O-ND2 2.92Å; R72-N75 PolarHBondContact O-N 3.29Å; N75-S79 VanDerWaalsContact O-CB 3.24Å; N75-S79 WeakPolarHBondContact O-CB 3.32Å; N75-S79 PolarHBondContact O-N 3.24Å; N75-S79 PolarHBondContact O-OG 3.06Å; N75-P116 WeakPolarHBondContact ND2-CG 3.38Å
76Q89.6Confident85.2Confident124 Ų12462.5 Ų62.558%0.57933%0.33SS*.Hα-helixtrans-65.3-43.9178.6-172.5175.319.200111.2R72 Q73 F74 S79 N80R72-Q76 WeakPolarHBondContact O-CB 3.38Å; R72-Q76 PolarHBondContact O-N 2.72Å; Q73-Q76 PolarHBondContact O-N 3.48Å; F74-Q76 VanDerWaalsContact C-N 3.28Å; F74-Q76 PolarHBondContact O-N 2.82Å; Q76-S79 PolarHBondContact O-N 3.33Å; Q76-N80 WeakPolarHBondContact O-CB 3.17Å; Q76-N80 PolarHBondContact O-N 2.76Å; Q76-N80 PolarHBondContact O-ND2 2.65Å; Q76-N80 PolarHBondContact O-OD1 3.18Å
77S90.7Very high83.4Confident22 Ų2262.9 Ų62.915%0.15435%0.353CS..Hα-helixtrans-66.1-44.3179.582.10000111.7W21 Q73 F74 S79 N80 E81W21-S77 WeakPolarHBondContact CZ2-OG 3.23Å; W21-S77 PolarHBondContact NE1-OG 3.09Å; Q73-S77 PolarHBondContact O-N 3.02Å; F74-S77 PolarHBondContact O-N 3.27Å; F74-S77 PolarHBondContact O-OG 3.24Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 3.23Å; S77-N80 PolarHBondContact O-N 3.12Å; S77-E81 WeakPolarHBondContact O-CB 3.46Å; S77-E81 PolarHBondContact O-N 3.16Å
78V89.2Confident82Confident4 Ų465.9 Ų65.92%0.02437%0.371CS..Hα-helixtrans-61.7-41.8176.7172.30000110.4V23 F74 N80 E81 L82 F90V23-V78 HydrophobicContact CG2-CG2 4.42Å; F74-V78 HydrophobicContact CD2-CG2 4.4Å; F74-V78 HydrophobicContact CE1-CG2 4.12Å; F74-V78 HydrophobicContact CE2-CG2 3.97Å; F74-V78 HydrophobicContact CZ-CG2 3.81Å; F74-V78 WeakPolarHBondContact O-CG2 3.42Å; F74-V78 PolarHBondContact O-N 3.19Å; V78-N80 PolarHBondContact O-N 3.36Å; V78-E81 PolarHBondContact O-N 3.46Å; V78-L82 HydrophobicContact CG1-CD1 3.54Å; V78-L82 HydrophobicContact CG1-CG 4.34Å; V78-L82 VanDerWaalsContact O-CB 3.32Å; V78-L82 WeakPolarHBondContact O-CB 3.47Å; V78-L82 WeakPolarHBondContact O-CG 3.23Å; V78-L82 PolarHBondContact O-N 2.97Å; V78-F90 HydrophobicContact CG1-CD1 3.86Å; V78-F90 HydrophobicContact CG1-CD2 4.09Å; V78-F90 HydrophobicContact CG1-CE1 3.72Å; V78-F90 HydrophobicContact CG1-CE2 3.96Å; V78-F90 HydrophobicContact CG1-CG 4.05Å; V78-F90 HydrophobicContact CG1-CZ 3.77Å
79S85.4Confident81.2Confident47 Ų4769.1 Ų69.133%0.32940%0.398SS..Hα-helixtrans-65-39.9178.4-590000112.8N75 Q76 S77 N83 I84N75-S79 VanDerWaalsContact O-CB 3.24Å; N75-S79 WeakPolarHBondContact O-CB 3.32Å; N75-S79 PolarHBondContact O-N 3.24Å; N75-S79 PolarHBondContact O-OG 3.06Å; Q76-S79 PolarHBondContact O-N 3.33Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 3.23Å; S79-N83 PolarHBondContact O-N 3.47Å; S79-I84 PolarHBondContact O-N 3.35Å
80N85.4Confident81Confident108 Ų10868.5 Ų68.558%0.57839%0.394SS*.Hα-helixtrans-68-41.3177.7-69.8-14.3000111.8Q76 S77 V78Q76-N80 WeakPolarHBondContact O-CB 3.17Å; Q76-N80 PolarHBondContact O-N 2.76Å; Q76-N80 PolarHBondContact O-ND2 2.65Å; Q76-N80 PolarHBondContact O-OD1 3.18Å; S77-N80 PolarHBondContact O-N 3.12Å; V78-N80 PolarHBondContact O-N 3.36Å
81E86.2Confident80.9Confident63 Ų6370.8 Ų70.829%0.29441%0.409SS..Hα-helixtrans-73-39-178.2-172.8165.3-171.200112.3V23 G32 Q33 H35 S77 V78 N83V23-E81 HydrophobicContact CB-CG 4.2Å; V23-E81 HydrophobicContact CG1-CG 4.47Å; V23-E81 HydrophobicContact CG2-CB 4.36Å; V23-E81 HydrophobicContact CG2-CG 4.21Å; V23-E81 VanDerWaalsContact CG2-OE2 3.29Å; V23-E81 WeakPolarHBondContact CG2-OE2 3.24Å; G32-E81 WeakPolarHBondContact CA-OE1 3.29Å; Q33-E81 PolarHBondContact N-OE1 2.91Å; H35-E81 IonicContact CD2-OE2 3.28Å; H35-E81 IonicContact CE1-OE2 3.43Å; H35-E81 IonicContact NE2-OE2 2.66Å; H35-E81 PolarHBondContact NE2-OE2 3.39Å; S77-E81 WeakPolarHBondContact O-CB 3.46Å; S77-E81 PolarHBondContact O-N 3.16Å; V78-E81 PolarHBondContact O-N 3.46Å; E81-N83 VanDerWaalsContact C-N 3.27Å; E81-N83 PolarHBondContact O-N 2.9Å
82L79.1Confident80.9Confident37 Ų3771.6 Ų71.619%0.19441%0.413CS..THydrogen-bonded Turntrans-79.1-6.8179.2-70.4173000113.9V23 V78 I84 F90V23-L82 HydrophobicContact CG1-CD2 3.49Å; V23-L82 VanDerWaalsContact CG1-CD2 3.49Å; V23-L82 HydrophobicContact CG1-CG 3.99Å; V78-L82 HydrophobicContact CG1-CD1 3.54Å; V78-L82 HydrophobicContact CG1-CG 4.34Å; V78-L82 VanDerWaalsContact O-CB 3.32Å; V78-L82 WeakPolarHBondContact O-CB 3.47Å; V78-L82 WeakPolarHBondContact O-CG 3.23Å; V78-L82 PolarHBondContact O-N 2.97Å; L82-I84 HydrophobicContact CB-CD1 4.31Å; L82-I84 HydrophobicContact CB-CG1 3.58Å; L82-I84 HydrophobicContact CD1-CD1 4.22Å; L82-I84 HydrophobicContact CD1-CG1 4.3Å; L82-I84 PolarHBondContact O-N 3.25Å; L82-F90 HydrophobicContact CD1-CB 3.67Å; L82-F90 HydrophobicContact CD1-CD1 3.72Å; L82-F90 HydrophobicContact CD1-CG 3.87Å
83N68.5Low81.1Confident139 Ų13966.1 Ų66.174%0.74340%0.398SS*.THydrogen-bonded Turntrans40.954.1-169.4-75.7-51.1000110.6S79 E81 G85S79-N83 PolarHBondContact O-N 3.47Å; E81-N83 VanDerWaalsContact C-N 3.27Å; E81-N83 PolarHBondContact O-N 2.9Å; N83-G85 VanDerWaalsContact C-N 3.28Å; N83-G85 PolarHBondContact O-N 3.44Å
84I60.7Low81.3Confident70 Ų7063.1 Ų63.136%0.35939%0.385SS..  trans-59.590.3-170.2-55.9-179.3000109.8S79 L82 F90S79-I84 PolarHBondContact O-N 3.35Å; L82-I84 HydrophobicContact CB-CD1 4.31Å; L82-I84 HydrophobicContact CB-CG1 3.58Å; L82-I84 HydrophobicContact CD1-CD1 4.22Å; L82-I84 HydrophobicContact CD1-CG1 4.3Å; L82-I84 PolarHBondContact O-N 3.25Å; I84-F90 HydrophobicContact CD1-CD1 4.16Å; I84-F90 HydrophobicContact CD1-CE1 4.13Å
85G59.1Low81.3Confident46 Ų4663 Ų6347%0.47439%0.385SS..  trans-89.9-167166.900000110.3N83 G87N83-G85 VanDerWaalsContact C-N 3.28Å; N83-G85 PolarHBondContact O-N 3.44Å; G85-G87 PolarHBondContact O-N 2.93Å
86V49.9Very low81.5Confident166 Ų16661.6 Ų61.6100%1.00638%0.379SS*.THydrogen-bonded Turntrans-70.6103.9176-172.60000109
87G57.7Low81.8Confident79 Ų7956.7 Ų56.781%0.81436%0.356SS*.THydrogen-bonded Turntrans126.3-5.7172.800000116.1G85G85-G87 PolarHBondContact O-N 2.93Å
88T67.4Low82.1Confident66 Ų6657 Ų5741%0.40536%0.356SS..  trans-95.5119.8177.6-26.80000110.3
89S79.1Confident82.4Confident115 Ų11560.4 Ų60.480%0.80437%0.371SS*.  trans-120.4143.9172.462.60000109.9
90F90.2Very high82.9Confident67 Ų6758.5 Ų58.529%0.29436%0.357SS..  trans-121.1159.1171.573-85.7000110.8V78 L82 I84 L92 C118V78-F90 HydrophobicContact CG1-CD1 3.86Å; V78-F90 HydrophobicContact CG1-CD2 4.09Å; V78-F90 HydrophobicContact CG1-CE1 3.72Å; V78-F90 HydrophobicContact CG1-CE2 3.96Å; V78-F90 HydrophobicContact CG1-CG 4.05Å; V78-F90 HydrophobicContact CG1-CZ 3.77Å; L82-F90 HydrophobicContact CD1-CB 3.67Å; L82-F90 HydrophobicContact CD1-CD1 3.72Å; L82-F90 HydrophobicContact CD1-CG 3.87Å; I84-F90 HydrophobicContact CD1-CD1 4.16Å; I84-F90 HydrophobicContact CD1-CE1 4.13Å; F90-L92 HydrophobicContact CE2-CD2 4.24Å; F90-C118 HydrophobicContact CE2-CB 3.78Å; F90-C118 HydrophobicContact CZ-CB 3.72Å
91C94Very high83.5Confident48 Ų4853.5 Ų53.532%0.32433%0.331SS..  trans-132147.2172-170.20000107.7F123C91-F123 HydrophobicContact CB-CD2 4.02Å; C91-F123 HydrophobicContact CB-CE2 3.78Å
92L96.3Very high83.9Confident20 Ų2050.9 Ų50.911%0.10532%0.318CS..EExtended strand (participates in β ladder)trans-71.7147.8175.8-59.1176000109.9F74 F90 I100 C118 F119 F122 F123F74-L92 HydrophobicContact CE1-CD2 4.18Å; F74-L92 HydrophobicContact CZ-CD2 3.63Å; F90-L92 HydrophobicContact CE2-CD2 4.24Å; L92-I100 HydrophobicContact CD1-CD1 4.07Å; L92-C118 WeakPolarHBondContact CD1-O 3.34Å; L92-F119 HydrophobicContact CD1-CB 4.45Å; L92-F119 HydrophobicContact CD1-CD1 3.24Å; L92-F119 HydrophobicContact CD1-CE1 3.65Å; L92-F119 HydrophobicContact CD1-CG 4.02Å; L92-F122 HydrophobicContact CB-CB 3.9Å; L92-F122 CarbonylContact O-C 3.45Å; L92-F122 VanDerWaalsContact O-CA 3.25Å; L92-F122 WeakPolarHBondContact O-CA 3.34Å; L92-F123 PolarHBondContact O-N 2.84Å
93C97.3Very high84.7Confident38 Ų3849.6 Ų49.626%0.25731%0.311SS..EExtended strand (participates in β ladder)trans-131.5123.6168.3-173.50000108.4F123 I174C93-F123 VanDerWaalsContact CA-O 3.3Å; C93-F123 WeakPolarHBondContact CA-O 3.41Å; C93-F123 HydrophobicContact CB-CB 4.25Å; C93-I174 HydrophobicContact CB-CD1 4.33Å
94T96.9Very high86Confident19 Ų1943.4 Ų43.412%0.11728%0.278CS..EExtended strand (participates in β ladder)trans-122.1152.3-174.456.90000111.2G96 H99 I100 F123 L125T94-G96 VanDerWaalsContact C-N 3.33Å; T94-G96 WeakPolarHBondContact CB-O 3.22Å; T94-G96 PolarHBondContact O-N 3.14Å; T94-G96 PolarHBondContact OG1-O 3.25Å; T94-H99 HydrophobicContact CG2-CB 4.28Å; T94-I100 HydrophobicContact CG2-CD1 4.16Å; T94-I100 HydrophobicContact CG2-CG1 3.97Å; T94-F123 PolarHBondContact N-O 2.88Å; T94-L125 WeakPolarHBondContact O-CB 3.43Å; T94-L125 PolarHBondContact O-N 2.78Å
95D94.8Very high87.8Confident11 Ų1140.1 Ų40.16%0.05926%0.261CS..SBendtrans-71.889.7169.4178.733.2000109.5H99 R126 V144 Q166 M170D95-H99 PolarHBondContact O-CE1 3.2Å; D95-H99 VanDerWaalsContact O-CE1 3.24Å; D95-H99 PolarHBondContact O-ND1 3.27Å; D95-H99 VanDerWaalsContact O-ND1 3.14Å; D95-R126 VanDerWaalsContact CG-NH2 3.32Å; D95-R126 IonicContact OD1-CZ 3.29Å; D95-R126 IonicContact OD1-NE 2.72Å; D95-R126 PolarHBondContact OD1-NE 2.94Å; D95-R126 IonicContact OD1-NH2 2.57Å; D95-R126 PolarHBondContact OD1-NH2 2.94Å; D95-R126 IonicContact OD2-CZ 3.72Å; D95-R126 IonicContact OD2-NE 2.82Å; D95-R126 IonicContact OD2-NH2 2.69Å; D95-R126 PolarHBondContact OD2-NH2 2.77Å; D95-V144 HydrophobicContact CB-CG2 3.88Å; D95-V144 VanDerWaalsContact CG-CG2 3.44Å; D95-Q166 PolarHBondContact OD2-NE2 3.3Å; D95-M170 HydrophobicContact CB-CE 4.16Å; D95-M170 HydrophobicContact CB-SD 3.9Å; D95-M170 VanDerWaalsContact N-CE 3.34Å
96G94.8Very high89.5Confident5 Ų539.3 Ų39.35%0.05225%0.248CC..SBendtrans75.6167.8-171.600000113.6T94 L98 D124T94-G96 VanDerWaalsContact C-N 3.33Å; T94-G96 WeakPolarHBondContact CB-O 3.22Å; T94-G96 PolarHBondContact O-N 3.14Å; T94-G96 PolarHBondContact OG1-O 3.25Å; G96-L98 PolarHBondContact O-N 3.06Å; G96-D124 WeakPolarHBondContact CA-OD1 3.47Å; G96-D124 VanDerWaalsContact CA-OD2 3.3Å; G96-D124 WeakPolarHBondContact CA-OD2 3.4Å
97Q95.6Very high91.7Very high20 Ų2032.1 Ų32.19%0.09320%0.203CC..SBendtrans-76.5-13.7-179.767.9-169.5-40.700116.3H99 I100 R101 F122 D124 E263 L267Q97-H99 PolarHBondContact O-N 3.06Å; Q97-I100 PolarHBondContact O-N 2.92Å; Q97-R101 HydrophobicContact CB-CG 4.28Å; Q97-R101 WeakPolarHBondContact O-CB 3.45Å; Q97-R101 PolarHBondContact O-N 2.96Å; Q97-F122 HydrophobicContact CB-CE2 3.96Å; Q97-F122 HydrophobicContact CB-CZ 3.92Å; Q97-D124 PolarHBondContact N-OD2 2.84Å; Q97-E263 VanDerWaalsContact NE2-CD 3.29Å; Q97-E263 PolarHBondContact NE2-OE1 3.01Å; Q97-E263 PolarHBondContact OE1-OE1 2.85Å; Q97-L267 HydrophobicContact CG-CD1 4.13Å
98L96.1Very high93.5Very high28 Ų2828.4 Ų28.415%0.14717%0.165CC..Hα-helixtrans-64-38.2-168.3-59.6-175.2000112.9G6 L9 G96 I100 R101 Q102 I103 L267G6-L98 WeakPolarHBondContact O-CD1 3.48Å; L9-L98 HydrophobicContact CB-CB 4.17Å; L9-L98 HydrophobicContact CB-CD1 4Å; L9-L98 HydrophobicContact CD2-CB 3.96Å; L9-L98 HydrophobicContact CG-CB 4.41Å; G96-L98 PolarHBondContact O-N 3.06Å; L98-I100 VanDerWaalsContact C-N 3.29Å; L98-I100 PolarHBondContact O-N 3.03Å; L98-R101 PolarHBondContact O-N 2.75Å; L98-Q102 HydrophobicContact CD2-CG 3.89Å; L98-Q102 WeakPolarHBondContact O-CA 3.5Å; L98-Q102 WeakPolarHBondContact O-CB 3.39Å; L98-Q102 PolarHBondContact O-N 2.93Å; L98-I103 PolarHBondContact O-N 3.14Å; L98-L267 HydrophobicContact CD2-CD2 3.36Å
99H95.4Very high94.8Very high76 Ų7626.9 Ų26.935%0.35216%0.157SC..Iπ-helixtrans-54.6-43.8177.9-62.693.3000112.5T94 D95 Q97 I103 L104T94-H99 HydrophobicContact CG2-CB 4.28Å; D95-H99 PolarHBondContact O-CE1 3.2Å; D95-H99 VanDerWaalsContact O-CE1 3.24Å; D95-H99 PolarHBondContact O-ND1 3.27Å; D95-H99 VanDerWaalsContact O-ND1 3.14Å; Q97-H99 PolarHBondContact O-N 3.06Å; H99-I103 WeakPolarHBondContact O-CB 3.4Å; H99-L104 WeakPolarHBondContact O-CB 3.39Å; H99-L104 PolarHBondContact O-N 3.11Å
100I96.8Very high95.4Very high7 Ų727.6 Ų27.64%0.03615%0.146CC..Iπ-helixtrans-82.1-51.9179.2-58.8-59.2000110.3L92 T94 Q97 L98 L104 H105 F119 F122 V192L92-I100 HydrophobicContact CD1-CD1 4.07Å; T94-I100 HydrophobicContact CG2-CD1 4.16Å; T94-I100 HydrophobicContact CG2-CG1 3.97Å; Q97-I100 PolarHBondContact O-N 2.92Å; L98-I100 VanDerWaalsContact C-N 3.29Å; L98-I100 PolarHBondContact O-N 3.03Å; I100-L104 HydrophobicContact CD1-CD2 4.14Å; I100-H105 PolarHBondContact O-CD2 3.26Å; I100-H105 VanDerWaalsContact O-CD2 3.26Å; I100-H105 PolarHBondContact O-N 2.71Å; I100-F119 HydrophobicContact CD1-CD1 4.42Å; I100-F122 HydrophobicContact CB-CD1 4.08Å; I100-F122 HydrophobicContact CB-CE1 4.03Å; I100-F122 HydrophobicContact CB-CG 4.4Å; I100-F122 HydrophobicContact CB-CZ 4.33Å; I100-F122 HydrophobicContact CG1-CB 4.27Å; I100-F122 HydrophobicContact CG1-CD1 4Å; I100-F122 HydrophobicContact CG1-CD2 4.14Å; I100-F122 HydrophobicContact CG1-CE1 4.4Å; I100-F122 HydrophobicContact CG1-CG 3.86Å; I100-F122 HydrophobicContact CG2-CD1 3.77Å; I100-F122 HydrophobicContact CG2-CE1 3.79Å; I100-F122 HydrophobicContact CG2-CG 4.49Å; I100-V192 HydrophobicContact CG2-CG2 3.99Å
101R97Very high95.6Very high4 Ų426.1 Ų26.12%0.01514%0.139CC..Iπ-helixtrans-80.2-33.8-166.7-63.2-169.8179.7-77.62114.6Q97 L98 P106 F122 E190 R191 G233 L234 H264 L267 R271Q97-R101 HydrophobicContact CB-CG 4.28Å; Q97-R101 WeakPolarHBondContact O-CB 3.45Å; Q97-R101 PolarHBondContact O-N 2.96Å; L98-R101 PolarHBondContact O-N 2.75Å; R101-P106 WeakPolarHBondContact O-CD 3.44Å; R101-F122 HydrophobicContact CG-CE1 4.47Å; R101-F122 HydrophobicContact CG-CZ 4.25Å; R101-E190 IonicContact CZ-OE2 2.73Å; R101-E190 IonicContact NE-OE2 2.97Å; R101-E190 PolarHBondContact NE-OE2 3.16Å; R101-E190 IonicContact NH2-OE2 3.95Å; R101-E190 PolarHBondContact NH2-OE2 3.44Å; R101-R191 PolarHBondContact NH1-O 2.67Å; R101-R191 PolarHBondContact NH2-O 3.31Å; R101-R191 VanDerWaalsContact NH2-O 3.08Å; R101-G233 WeakPolarHBondContact CG-O 3.3Å; R101-G233 PolarHBondContact NH1-O 2.86Å; R101-L234 HydrophobicContact CB-CD2 4.12Å; R101-H264 PolarHBondContact NH1-NE2 2.91Å; R101-H264 PolarHBondContact NH2-NE2 3.2Å; R101-L267 HydrophobicContact CB-CD1 4.33Å; R101-R271 PolarHBondContact O-NH2 3.38Å
102Q96Very high95.6Very high7 Ų730.8 Ų30.83%0.03316%0.161CC..Iπ-helixtrans-103.9-23.2-176.9-65-69.934.900113.9L98 P106 L267L98-Q102 HydrophobicContact CD2-CG 3.89Å; L98-Q102 WeakPolarHBondContact O-CA 3.5Å; L98-Q102 WeakPolarHBondContact O-CB 3.39Å; L98-Q102 PolarHBondContact O-N 2.93Å; Q102-P106 WeakPolarHBondContact O-CG 3.38Å; Q102-L267 HydrophobicContact CG-CD2 4.27Å; Q102-L267 PolarHBondContact NE2-O 2.95Å
103I95.4Very high95.5Very high10 Ų1031.2 Ų31.25%0.05116%0.164CC..Iπ-helixtrans-105.7-71.3-179.1-54.3-55000111.2T1 L9 L16 L98 H99 H105 P106 E107T1-I103 HydrophobicContact CG2-CD1 3.52Å; T1-I103 HydrophobicContact CG2-CG1 3.91Å; T1-I103 HydrophobicContact CG2-CG2 3.97Å; L9-I103 HydrophobicContact CD1-CD1 4.23Å; L9-I103 HydrophobicContact CD1-CG1 4.16Å; L9-I103 HydrophobicContact CD2-CG1 4.19Å; L9-I103 HydrophobicContact CG-CD1 4.07Å; L9-I103 HydrophobicContact CG-CG1 3.8Å; L16-I103 HydrophobicContact CB-CG2 3.96Å; L16-I103 HydrophobicContact CD1-CG2 4.08Å; L16-I103 HydrophobicContact CG-CG2 4.49Å; L98-I103 PolarHBondContact O-N 3.14Å; H99-I103 WeakPolarHBondContact O-CB 3.4Å; I103-H105 PolarHBondContact O-N 2.96Å; I103-P106 WeakPolarHBondContact O-CD 3.35Å; I103-E107 VanDerWaalsContact O-CB 3.25Å; I103-E107 WeakPolarHBondContact O-CB 3.24Å; I103-E107 PolarHBondContact O-N 2.98Å
104L96.4Very high95.3Very high9 Ų936.3 Ų36.35%0.04719%0.188CC..Iπ-helixtrans-63.5-48.3-164.7-176.468.1000112.9L16 L67 L71 H99 I100 A108 L115 F119L16-L104 HydrophobicContact CD2-CD1 4.48Å; L67-L104 HydrophobicContact CD1-CD1 4.49Å; L71-L104 HydrophobicContact CD1-CD1 4.41Å; L71-L104 HydrophobicContact CD2-CD1 3.99Å; H99-L104 WeakPolarHBondContact O-CB 3.39Å; H99-L104 PolarHBondContact O-N 3.11Å; I100-L104 HydrophobicContact CD1-CD2 4.14Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 3.21Å; L104-L115 HydrophobicContact CD1-CD2 4.05Å; L104-L115 HydrophobicContact CD2-CD1 4.47Å; L104-L115 HydrophobicContact CD2-CD2 4.18Å; L104-L115 HydrophobicContact CG-CD1 4.22Å; L104-L115 HydrophobicContact CG-CD2 3.94Å; L104-F119 HydrophobicContact CD2-CB 3.99Å; L104-F119 HydrophobicContact CD2-CD1 3.06Å; L104-F119 HydrophobicContact CD2-CE1 3.56Å; L104-F119 HydrophobicContact CD2-CG 3.64Å; L104-F119 HydrophobicContact CD2-CZ 4.47Å
105H97.2Very high95.1Very high1 Ų136.2 Ų36.21%0.00519%0.187CC..Hα-helixtrans-66.1-48.7-179-86.4-92.4000113.2I100 I103 S109 F119 Y120 K232 G233I100-H105 PolarHBondContact O-CD2 3.26Å; I100-H105 VanDerWaalsContact O-CD2 3.26Å; I100-H105 PolarHBondContact O-N 2.71Å; I103-H105 PolarHBondContact O-N 2.96Å; H105-S109 WeakPolarHBondContact O-CB 3.39Å; H105-S109 PolarHBondContact O-N 2.94Å; H105-S109 VanDerWaalsContact O-N 3.07Å; H105-F119 PolarHBondContact NE2-O 3.15Å; H105-Y120 AromaticContact CE1-CD1 3.62Å; H105-Y120 AromaticContact CE1-CE1 3.49Å; H105-Y120 VanDerWaalsContact CE1-CE1 3.49Å; H105-Y120 WeakPolarHBondContact CE1-CE1 3.44Å; H105-Y120 AromaticContact CE1-CZ 3.97Å; H105-K232 HydrophobicContact CB-CG 4.17Å; H105-G233 VanDerWaalsContact CB-CA 3.46Å
106P95.7Very high95Very high30 Ų3037.6 Ų37.620%0.19520%0.196CC..Hα-helixtrans-57.3-46.7172.7-30.939.4000113.7R101 Q102 I103 S109 K110 K232R101-P106 WeakPolarHBondContact O-CD 3.44Å; Q102-P106 WeakPolarHBondContact O-CG 3.38Å; I103-P106 WeakPolarHBondContact O-CD 3.35Å; P106-S109 WeakPolarHBondContact O-CB 3.46Å; P106-S109 PolarHBondContact O-N 3.34Å; P106-K110 WeakPolarHBondContact O-CB 3.36Å; P106-K110 PolarHBondContact O-N 3.04Å; P106-K232 WeakPolarHBondContact CG-O 3.24Å
107E95.3Very high94.7Very high14 Ų1445.6 Ų45.67%0.06523%0.232CC..Hα-helixtrans-69-44.3-176-171.2175.816000112.4L16 L67 I103 S109 K110 K111L16-E107 WeakPolarHBondContact CA-OE2 3.24Å; L16-E107 WeakPolarHBondContact CB-OE2 3.43Å; L16-E107 PolarHBondContact N-OE1 3.31Å; L16-E107 PolarHBondContact N-OE2 3.11Å; L67-E107 HydrophobicContact CD2-CB 4.43Å; L67-E107 HydrophobicContact CD2-CG 3.94Å; I103-E107 VanDerWaalsContact O-CB 3.25Å; I103-E107 WeakPolarHBondContact O-CB 3.24Å; I103-E107 PolarHBondContact O-N 2.98Å; E107-S109 PolarHBondContact O-N 3.43Å; E107-K110 PolarHBondContact O-N 3.32Å; E107-K110 VanDerWaalsContact O-N 3.11Å; E107-K111 HydrophobicContact CG-CD 4.04Å; E107-K111 HydrophobicContact CG-CG 4.47Å; E107-K111 WeakPolarHBondContact O-CB 3.26Å; E107-K111 PolarHBondContact O-N 2.95Å; E107-K111 WeakPolarHBondContact OE1-CE 3.25Å; E107-K111 IonicContact OE1-NZ 2.65Å; E107-K111 PolarHBondContact OE1-NZ 3.35Å
108A95.8Very high94.5Very high1 Ų145.9 Ų45.91%0.00824%0.236CC..Hα-helixtrans-58.6-40.4173.800000111L67 L104 K111 N112 V113 L115L67-A108 HydrophobicContact CD2-CB 4.35Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 3.21Å; A108-K111 PolarHBondContact O-N 3Å; A108-N112 PolarHBondContact O-N 3.47Å; A108-V113 HydrophobicContact CB-CB 4.29Å; A108-V113 PolarHBondContact O-N 2.97Å; A108-L115 HydrophobicContact CB-CD1 3.91Å; A108-L115 HydrophobicContact CB-CD2 3.65Å; A108-L115 HydrophobicContact CB-CG 3.58Å
109S94.2Very high94.4Very high34 Ų3445 Ų4524%0.23823%0.232CC..Hα-helixtrans-65-40.2174.5-170.70000113H105 P106 E107 N112H105-S109 WeakPolarHBondContact O-CB 3.39Å; H105-S109 PolarHBondContact O-N 2.94Å; H105-S109 VanDerWaalsContact O-N 3.07Å; P106-S109 WeakPolarHBondContact O-CB 3.46Å; P106-S109 PolarHBondContact O-N 3.34Å; E107-S109 PolarHBondContact O-N 3.43Å; S109-N112 PolarHBondContact O-N 2.76Å
110K93Very high94.4Very high130 Ų13042.9 Ų42.957%0.56522%0.221SC*.Hα-helixtrans-66.5-39.6179-173.2178.5178.2-178.20111.4P106 E107 N112P106-K110 WeakPolarHBondContact O-CB 3.36Å; P106-K110 PolarHBondContact O-N 3.04Å; E107-K110 PolarHBondContact O-N 3.32Å; E107-K110 VanDerWaalsContact O-N 3.11Å; K110-N112 VanDerWaalsContact C-N 3.32Å
111K93.8Very high94.4Very high37 Ų3744 Ų4416%0.16123%0.229CC..THydrogen-bonded Turntrans-85.72179.1-66-177.6174.6171.90113.8E15 D42 L67 E107 A108 V113E15-K111 WeakPolarHBondContact OE1-CE 3.22Å; E15-K111 IonicContact OE1-NZ 3.91Å; E15-K111 PolarHBondContact OE1-NZ 2.95Å; D42-K111 VanDerWaalsContact OD2-CE 3.31Å; D42-K111 WeakPolarHBondContact OD2-CE 3.17Å; L67-K111 HydrophobicContact CB-CD 4.16Å; L67-K111 HydrophobicContact CD2-CD 4.08Å; E107-K111 HydrophobicContact CG-CD 4.04Å; E107-K111 HydrophobicContact CG-CG 4.47Å; E107-K111 WeakPolarHBondContact O-CB 3.26Å; E107-K111 PolarHBondContact O-N 2.95Å; E107-K111 WeakPolarHBondContact OE1-CE 3.25Å; E107-K111 IonicContact OE1-NZ 2.65Å; E107-K111 PolarHBondContact OE1-NZ 3.35Å; A108-K111 PolarHBondContact O-N 3Å; K111-V113 HydrophobicContact CB-CG2 3.86Å; K111-V113 PolarHBondContact O-N 3.07Å
112N93.8Very high94.4Very high146 Ų14643.8 Ų43.878%0.78123%0.228SC*.THydrogen-bonded Turntrans53.635.5-174.4-59.1-71000113.7A108 S109 K110A108-N112 PolarHBondContact O-N 3.47Å; S109-N112 PolarHBondContact O-N 2.76Å; K110-N112 VanDerWaalsContact C-N 3.32Å
113V95.1Very high94.5Very high28 Ų2844.4 Ų44.417%0.1723%0.231CC..PPolyproline II helixtrans-90.6127.1176.1178.60000109L67 D68 L71 A108 K111 L115L67-V113 HydrophobicContact CD2-CG2 4.49Å; D68-V113 HydrophobicContact CB-CG1 3.83Å; D68-V113 HydrophobicContact CB-CG2 4Å; L71-V113 HydrophobicContact CD1-CG1 4.15Å; A108-V113 HydrophobicContact CB-CB 4.29Å; A108-V113 PolarHBondContact O-N 2.97Å; K111-V113 HydrophobicContact CB-CG2 3.86Å; K111-V113 PolarHBondContact O-N 3.07Å; V113-L115 PolarHBondContact O-N 3.09Å
114L92.4Very high94.6Very high146 Ų14644.2 Ų44.276%0.76423%0.23SC*.PPolyproline II helixtrans-76.5120.8173.1-66.9176.7000109.5
115L93.6Very high94.7Very high16 Ų1643.8 Ų43.88%0.08423%0.227CC..PPolyproline II helixtrans-76.2135.1175.5-72.1177.6000110.8L71 L104 A108 V113 F119 Y120L71-L115 HydrophobicContact CD1-CD2 3.59Å; L104-L115 HydrophobicContact CD1-CD2 4.05Å; L104-L115 HydrophobicContact CD2-CD1 4.47Å; L104-L115 HydrophobicContact CD2-CD2 4.18Å; L104-L115 HydrophobicContact CG-CD1 4.22Å; L104-L115 HydrophobicContact CG-CD2 3.94Å; A108-L115 HydrophobicContact CB-CD1 3.91Å; A108-L115 HydrophobicContact CB-CD2 3.65Å; A108-L115 HydrophobicContact CB-CG 3.58Å; V113-L115 PolarHBondContact O-N 3.09Å; L115-F119 HydrophobicContact CB-CB 4.34Å; L115-F119 HydrophobicContact CD1-CB 4.41Å; L115-F119 HydrophobicContact CD2-CD2 4.48Å; L115-Y120 HydrophobicContact CB-CE2 3.78Å
116P91Very high94.6Very high40 Ų4046 Ų4626%0.2624%0.236SC..PPolyproline II helixtrans-57.2152.7166.3-22.730.2000112.5N75 C118 F119N75-P116 WeakPolarHBondContact ND2-CG 3.38Å; P116-C118 PolarHBondContact O-N 2.94Å; P116-F119 HydrophobicContact CB-CD2 3.95Å; P116-F119 HydrophobicContact CB-CE2 4.25Å; P116-F119 HydrophobicContact CG-CD2 3.95Å; P116-F119 HydrophobicContact CG-CE2 3.94Å; P116-F119 PolarHBondContact O-N 3.37Å
117E89.3Confident94.6Very high174 Ų17446.4 Ų46.481%0.81323%0.234SC*.G310 helixtrans-57.8-33.9-175.1-171.3174.5-178.400113.3F119 Y120E117-F119 PolarHBondContact O-N 3.25Å; E117-Y120 PolarHBondContact O-N 3.37Å
118C90.8Very high94.7Very high26 Ų2646 Ų4618%0.17623%0.233CC..G310 helixtrans-58.9-20.6178.261.70000114F90 L92 P116 Y120F90-C118 HydrophobicContact CE2-CB 3.78Å; F90-C118 HydrophobicContact CZ-CB 3.72Å; L92-C118 WeakPolarHBondContact CD1-O 3.34Å; P116-C118 PolarHBondContact O-N 2.94Å; C118-Y120 VanDerWaalsContact C-N 3.34Å
119F94.6Very high94.7Very high10 Ų1046 Ų464%0.04423%0.233CC..G310 helixtrans-86.8-0.8177.9-67.8-75000114.3L71 F74 L92 I100 L104 H105 L115 P116 E117L71-F119 HydrophobicContact CD2-CE1 4.3Å; L71-F119 HydrophobicContact CD2-CE2 3.94Å; L71-F119 HydrophobicContact CD2-CZ 3.63Å; F74-F119 HydrophobicContact CD1-CE2 4.11Å; F74-F119 AromaticContact CD1-CZ 3.55Å; F74-F119 HydrophobicContact CD1-CZ 3.55Å; F74-F119 HydrophobicContact CE1-CE1 4.23Å; F74-F119 HydrophobicContact CE1-CE2 4.21Å; F74-F119 AromaticContact CE1-CZ 3.57Å; F74-F119 HydrophobicContact CE1-CZ 3.57Å; F74-F119 HydrophobicContact CG-CZ 4.29Å; F74-F119 HydrophobicContact CZ-CZ 4.33Å; L92-F119 HydrophobicContact CD1-CB 4.45Å; L92-F119 HydrophobicContact CD1-CD1 3.24Å; L92-F119 HydrophobicContact CD1-CE1 3.65Å; L92-F119 HydrophobicContact CD1-CG 4.02Å; I100-F119 HydrophobicContact CD1-CD1 4.42Å; L104-F119 HydrophobicContact CD2-CB 3.99Å; L104-F119 HydrophobicContact CD2-CD1 3.06Å; L104-F119 HydrophobicContact CD2-CE1 3.56Å; L104-F119 HydrophobicContact CD2-CG 3.64Å; L104-F119 HydrophobicContact CD2-CZ 4.47Å; H105-F119 PolarHBondContact NE2-O 3.15Å; L115-F119 HydrophobicContact CB-CB 4.34Å; L115-F119 HydrophobicContact CD1-CB 4.41Å; L115-F119 HydrophobicContact CD2-CD2 4.48Å; P116-F119 HydrophobicContact CB-CD2 3.95Å; P116-F119 HydrophobicContact CB-CE2 4.25Å; P116-F119 HydrophobicContact CG-CD2 3.95Å; P116-F119 HydrophobicContact CG-CE2 3.94Å; P116-F119 PolarHBondContact O-N 3.37Å; E117-F119 PolarHBondContact O-N 3.25Å
120Y95.9Very high94.8Very high31 Ų3146.8 Ų46.812%0.12223%0.231CC..G310 helixtrans-96.5-2.8175.6-67.6-92.8000112.9H105 L115 E117 C118 R191 V192 Y194H105-Y120 AromaticContact CE1-CD1 3.62Å; H105-Y120 AromaticContact CE1-CE1 3.49Å; H105-Y120 VanDerWaalsContact CE1-CE1 3.49Å; H105-Y120 WeakPolarHBondContact CE1-CE1 3.44Å; H105-Y120 AromaticContact CE1-CZ 3.97Å; L115-Y120 HydrophobicContact CB-CE2 3.78Å; E117-Y120 PolarHBondContact O-N 3.37Å; C118-Y120 VanDerWaalsContact C-N 3.34Å; Y120-R191 WeakPolarHBondContact O-CA 3.34Å; Y120-V192 HydrophobicContact CD1-CB 4.27Å; Y120-V192 HydrophobicContact CD1-CG1 4.49Å; Y120-V192 WeakPolarHBondContact CD1-O 2.97Å; Y120-V192 PolarHBondContact O-N 3.37Å; Y120-Y194 HydrophobicContact CD1-CD2 4.32Å; Y120-Y194 AromaticContact CE1-CD2 3.76Å; Y120-Y194 HydrophobicContact CE1-CD2 3.76Å; Y120-Y194 HydrophobicContact CE1-CG 4.39Å; Y120-Y194 AromaticContact CE2-CD2 3.95Å; Y120-Y194 HydrophobicContact CE2-CD2 3.95Å; Y120-Y194 HydrophobicContact CE2-CE2 4.2Å; Y120-Y194 AromaticContact CZ-CD2 3.54Å; Y120-Y194 AromaticContact CZ-CE2 3.92Å
121S96.1Very high94.8Very high30 Ų3046.1 Ų46.121%0.2123%0.229CC..EExtended strand (participates in β ladder)trans-139.2131.5174.8-163.60000111.1P189 E190S121-P189 VanDerWaalsContact OG-CB 3.3Å; S121-P189 WeakPolarHBondContact OG-CB 3.19Å; S121-P189 VanDerWaalsContact OG-CG 3.23Å; S121-P189 WeakPolarHBondContact OG-CG 3.3Å; S121-E190 VanDerWaalsContact CA-O 3.24Å; S121-E190 WeakPolarHBondContact CA-O 3.41Å; S121-E190 PolarHBondContact OG-O 3.43Å
122F97.9Very high94.7Very high0 Ų045.5 Ų45.50%023%0.228CC..EExtended strand (participates in β ladder)trans-154.1158.5-177.569.5-80.6000111.4L92 Q97 I100 R101 D124 P189 E190 V192L92-F122 HydrophobicContact CB-CB 3.9Å; L92-F122 CarbonylContact O-C 3.45Å; L92-F122 VanDerWaalsContact O-CA 3.25Å; L92-F122 WeakPolarHBondContact O-CA 3.34Å; Q97-F122 HydrophobicContact CB-CE2 3.96Å; Q97-F122 HydrophobicContact CB-CZ 3.92Å; I100-F122 HydrophobicContact CB-CD1 4.08Å; I100-F122 HydrophobicContact CB-CE1 4.03Å; I100-F122 HydrophobicContact CB-CG 4.4Å; I100-F122 HydrophobicContact CB-CZ 4.33Å; I100-F122 HydrophobicContact CG1-CB 4.27Å; I100-F122 HydrophobicContact CG1-CD1 4Å; I100-F122 HydrophobicContact CG1-CD2 4.14Å; I100-F122 HydrophobicContact CG1-CE1 4.4Å; I100-F122 HydrophobicContact CG1-CG 3.86Å; I100-F122 HydrophobicContact CG2-CD1 3.77Å; I100-F122 HydrophobicContact CG2-CE1 3.79Å; I100-F122 HydrophobicContact CG2-CG 4.49Å; R101-F122 HydrophobicContact CG-CE1 4.47Å; R101-F122 HydrophobicContact CG-CZ 4.25Å; F122-D124 HydrophobicContact CE2-CB 4.39Å; F122-P189 CarbonylContact O-C 3.52Å; F122-P189 WeakPolarHBondContact O-CA 3.48Å; F122-P189 WeakPolarHBondContact O-CB 3.41Å; F122-E190 HydrophobicContact CD1-CB 4.19Å; F122-E190 HydrophobicContact CE1-CB 3.77Å; F122-E190 HydrophobicContact CE2-CB 4.1Å; F122-E190 HydrophobicContact CE2-CG 4.48Å; F122-E190 HydrophobicContact CZ-CB 3.71Å; F122-E190 HydrophobicContact CZ-CG 4.33Å; F122-E190 PolarHBondContact N-O 3.46Å; F122-E190 WeakPolarHBondContact O-CA 3.28Å; F122-E190 WeakPolarHBondContact O-CB 3.32Å; F122-E190 PolarHBondContact O-N 2.94Å; F122-V192 HydrophobicContact CE1-CG2 4.17Å
123F98Very high94.6Very high19 Ų1939.3 Ų39.38%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-98.9127168.7-70-77.2000110C91 L92 C93 T94 L125 E128 F186 P189C91-F123 HydrophobicContact CB-CD2 4.02Å; C91-F123 HydrophobicContact CB-CE2 3.78Å; L92-F123 PolarHBondContact O-N 2.84Å; C93-F123 VanDerWaalsContact CA-O 3.3Å; C93-F123 WeakPolarHBondContact CA-O 3.41Å; C93-F123 HydrophobicContact CB-CB 4.25Å; T94-F123 PolarHBondContact N-O 2.88Å; F123-L125 PolarHBondContact O-N 2.85Å; F123-E128 HydrophobicContact CB-CG 4.16Å; F123-E128 HydrophobicContact CD1-CG 4Å; F123-E128 HydrophobicContact CG-CG 4.5Å; F123-F186 HydrophobicContact CB-CD1 4.17Å; F123-F186 HydrophobicContact CD1-CB 4.3Å; F123-F186 AromaticContact CD1-CD1 3.84Å; F123-F186 HydrophobicContact CD1-CD1 3.84Å; F123-F186 HydrophobicContact CD2-CB 4.27Å; F123-F186 HydrophobicContact CD2-CD1 4.16Å; F123-F186 HydrophobicContact CE1-CB 3.85Å; F123-F186 HydrophobicContact CE1-CD1 4.25Å; F123-F186 HydrophobicContact CE2-CB 3.83Å; F123-F186 HydrophobicContact CG-CB 4.49Å; F123-F186 AromaticContact CG-CD1 3.79Å; F123-F186 HydrophobicContact CG-CD1 3.79Å; F123-F186 HydrophobicContact CZ-CB 3.61Å; F123-P189 HydrophobicContact CD1-CB 4.14Å; F123-P189 HydrophobicContact CD2-CB 4.23Å; F123-P189 HydrophobicContact CE1-CB 3.82Å; F123-P189 HydrophobicContact CE1-CG 4.46Å; F123-P189 HydrophobicContact CE2-CB 3.92Å; F123-P189 HydrophobicContact CG-CB 4.34Å; F123-P189 HydrophobicContact CZ-CB 3.69Å; F123-P189 HydrophobicContact CZ-CG 4.09Å
124D97.3Very high94.2Very high6 Ų642.7 Ų42.73%0.03222%0.219CC..EExtended strand (participates in β ladder)trans-78.7108.7166.2-177.2-37.9000108.4G96 Q97 F122 R126 K127 E128 E190G96-D124 WeakPolarHBondContact CA-OD1 3.47Å; G96-D124 VanDerWaalsContact CA-OD2 3.3Å; G96-D124 WeakPolarHBondContact CA-OD2 3.4Å; Q97-D124 PolarHBondContact N-OD2 2.84Å; F122-D124 HydrophobicContact CE2-CB 4.39Å; D124-R126 PolarHBondContact O-N 3.14Å; D124-R126 WeakPolarHBondContact OD1-CA 3.46Å; D124-R126 VanDerWaalsContact OD1-CB 3.3Å; D124-R126 WeakPolarHBondContact OD1-CB 3.4Å; D124-R126 PolarHBondContact OD1-N 2.87Å; D124-K127 HydrophobicContact CB-CB 4.1Å; D124-K127 HydrophobicContact CB-CD 3.95Å; D124-K127 HydrophobicContact CB-CG 4.01Å; D124-K127 PolarHBondContact O-N 2.79Å; D124-K127 VanDerWaalsContact O-N 3.14Å; D124-K127 PolarHBondContact OD1-N 3.49Å; D124-E128 WeakPolarHBondContact O-CG 3.4Å; D124-E128 PolarHBondContact O-N 3.2Å; D124-E190 WeakPolarHBondContact CB-OE1 3.49Å
125L97.2Very high93.9Very high0 Ų039.9 Ų39.90%023%0.225CC..Hα-helixtrans-58.7-34.1-175.8-175.259000112.3T94 F123 E128 F129 M147 M170 I173 I174 M177T94-L125 WeakPolarHBondContact O-CB 3.43Å; T94-L125 PolarHBondContact O-N 2.78Å; F123-L125 PolarHBondContact O-N 2.85Å; L125-E128 PolarHBondContact O-N 3.43Å; L125-F129 VanDerWaalsContact O-CB 3.24Å; L125-F129 WeakPolarHBondContact O-CB 3.15Å; L125-F129 PolarHBondContact O-N 3.28Å; L125-M147 HydrophobicContact CD2-CE 3.94Å; L125-M147 HydrophobicContact CG-CE 3.98Å; L125-M147 HydrophobicContact CG-SD 4.21Å; L125-M170 HydrophobicContact CD2-CB 3.98Å; L125-M170 HydrophobicContact CD2-CE 4Å; L125-M170 HydrophobicContact CD2-CG 3.75Å; L125-I173 HydrophobicContact CD1-CG2 4.22Å; L125-I173 HydrophobicContact CD2-CG2 4.36Å; L125-I174 HydrophobicContact CD1-CD1 4.42Å; L125-I174 HydrophobicContact CD1-CG1 3.76Å; L125-M177 HydrophobicContact CD1-SD 3.94Å
126R95.9Very high93.7Very high49 Ų4939.9 Ų39.919%0.18523%0.226CC..Hα-helixtrans-67.4-43.5-179.9-57170.1179.3-148.60.2110.1D95 D124 F129 K130 L142 M147D95-R126 VanDerWaalsContact CG-NH2 3.32Å; D95-R126 IonicContact OD1-CZ 3.29Å; D95-R126 IonicContact OD1-NE 2.72Å; D95-R126 PolarHBondContact OD1-NE 2.94Å; D95-R126 IonicContact OD1-NH2 2.57Å; D95-R126 PolarHBondContact OD1-NH2 2.94Å; D95-R126 IonicContact OD2-CZ 3.72Å; D95-R126 IonicContact OD2-NE 2.82Å; D95-R126 IonicContact OD2-NH2 2.69Å; D95-R126 PolarHBondContact OD2-NH2 2.77Å; D124-R126 PolarHBondContact O-N 3.14Å; D124-R126 WeakPolarHBondContact OD1-CA 3.46Å; D124-R126 VanDerWaalsContact OD1-CB 3.3Å; D124-R126 WeakPolarHBondContact OD1-CB 3.4Å; D124-R126 PolarHBondContact OD1-N 2.87Å; R126-F129 PolarHBondContact O-N 3.3Å; R126-K130 WeakPolarHBondContact O-CB 3.37Å; R126-K130 PolarHBondContact O-N 3.44Å; R126-L142 HydrophobicContact CB-CD2 4.12Å; R126-L142 WeakPolarHBondContact CD-O 3.3Å; R126-L142 VanDerWaalsContact CG-O 3.26Å; R126-L142 WeakPolarHBondContact CG-O 3.35Å; R126-L142 VanDerWaalsContact CZ-O 3.3Å; R126-L142 PolarHBondContact NE-O 3.45Å; R126-L142 VanDerWaalsContact NE-O 3.15Å; R126-L142 PolarHBondContact NH1-O 2.86Å; R126-L142 VanDerWaalsContact O-CD2 3.24Å; R126-L142 WeakPolarHBondContact O-CD2 3.03Å; R126-M147 HydrophobicContact CG-CE 4.29Å
127K96Very high93.7Very high37 Ų3740.7 Ų40.716%0.16123%0.232CC..Hα-helixtrans-66.5-43.4176-65-177.8-171.6172.20111.5D124 F129 K130 K131 I139 E190 E263D124-K127 HydrophobicContact CB-CB 4.1Å; D124-K127 HydrophobicContact CB-CD 3.95Å; D124-K127 HydrophobicContact CB-CG 4.01Å; D124-K127 PolarHBondContact O-N 2.79Å; D124-K127 VanDerWaalsContact O-N 3.14Å; D124-K127 PolarHBondContact OD1-N 3.49Å; K127-F129 VanDerWaalsContact C-N 3.34Å; K127-K130 PolarHBondContact O-N 3.26Å; K127-K131 WeakPolarHBondContact O-CG 2.98Å; K127-K131 PolarHBondContact O-N 3.19Å; K127-I139 HydrophobicContact CG-CD1 4.41Å; K127-E190 WeakPolarHBondContact CD-OE1 3.33Å; K127-E190 WeakPolarHBondContact CE-OE1 3.42Å; K127-E190 IonicContact NZ-OE1 3.78Å; K127-E190 PolarHBondContact NZ-OE1 3.02Å; K127-E190 IonicContact NZ-OE2 3.91Å; K127-E263 WeakPolarHBondContact CE-OE1 3.26Å; K127-E263 IonicContact NZ-OE1 3.64Å; K127-E263 PolarHBondContact NZ-OE1 3.07Å; K127-E263 IonicContact NZ-OE2 3.93Å; K127-E263 PolarHBondContact NZ-OE2 3.43Å
128E96.9Very high93.7Very high7 Ų736.9 Ų36.93%0.03322%0.217CC..Hα-helixtrans-63.6-40.7177.4-66.7-61.111800111.6F123 D124 L125 K131 C132 M177 H184 F186F123-E128 HydrophobicContact CB-CG 4.16Å; F123-E128 HydrophobicContact CD1-CG 4Å; F123-E128 HydrophobicContact CG-CG 4.5Å; D124-E128 WeakPolarHBondContact O-CG 3.4Å; D124-E128 PolarHBondContact O-N 3.2Å; L125-E128 PolarHBondContact O-N 3.43Å; E128-K131 WeakPolarHBondContact O-CB 3.48Å; E128-K131 PolarHBondContact O-N 2.84Å; E128-K131 IonicContact OE1-NZ 2.97Å; E128-K131 PolarHBondContact OE1-NZ 2.92Å; E128-C132 WeakPolarHBondContact O-CB 3.43Å; E128-C132 PolarHBondContact O-N 3.47Å; E128-M177 VanDerWaalsContact C-CE 3.47Å; E128-M177 HydrophobicContact CB-CE 3.87Å; E128-M177 WeakPolarHBondContact O-CE 3.46Å; E128-H184 IonicContact OE2-CD2 3.64Å; E128-H184 IonicContact OE2-CE1 3.74Å; E128-H184 PolarHBondContact OE2-CE1 2.8Å; E128-H184 VanDerWaalsContact OE2-CE1 3.29Å; E128-H184 IonicContact OE2-NE2 3.97Å; E128-H184 PolarHBondContact OE2-NE2 3.26Å; E128-F186 HydrophobicContact CB-CD1 4.35Å; E128-F186 HydrophobicContact CB-CE1 3.8Å; E128-F186 HydrophobicContact CG-CD1 3.9Å; E128-F186 HydrophobicContact CG-CE1 3.79Å
129F96.3Very high93.7Very high1 Ų139.1 Ų39.10%0.00423%0.226CC..Hα-helixtrans-64.8-42.9174.6-171.6-87.5000111.9L125 R126 K127 K131 C132 C133 L142 M147 L151 I173 M177L125-F129 VanDerWaalsContact O-CB 3.24Å; L125-F129 WeakPolarHBondContact O-CB 3.15Å; L125-F129 PolarHBondContact O-N 3.28Å; R126-F129 PolarHBondContact O-N 3.3Å; K127-F129 VanDerWaalsContact C-N 3.34Å; F129-K131 VanDerWaalsContact C-N 3.28Å; F129-K131 PolarHBondContact O-N 3.35Å; F129-C132 CarbonylContact O-C 3.55Å; F129-C132 WeakPolarHBondContact O-CB 3.32Å; F129-C132 PolarHBondContact O-N 3.24Å; F129-C132 VanDerWaalsContact O-N 3.12Å; F129-C133 HydrophobicContact CD1-CB 4.14Å; F129-C133 HydrophobicContact CE1-CB 3.8Å; F129-C133 HydrophobicContact CZ-CB 4.16Å; F129-C133 WeakPolarHBondContact O-CB 3.49Å; F129-C133 PolarHBondContact O-N 3.14Å; F129-L142 HydrophobicContact CB-CD2 4.13Å; F129-L142 HydrophobicContact CD1-CD1 4.13Å; F129-L142 HydrophobicContact CD1-CD2 3.76Å; F129-L142 HydrophobicContact CD1-CG 4.44Å; F129-L142 HydrophobicContact CE1-CD1 4.3Å; F129-L142 HydrophobicContact CG-CD2 4.32Å; F129-M147 HydrophobicContact CB-CG 4.25Å; F129-M147 HydrophobicContact CB-SD 3.43Å; F129-M147 WeakPolarHBondContact CB-SD 3.26Å; F129-M147 HydrophobicContact CD1-CG 3.79Å; F129-M147 HydrophobicContact CD1-SD 4.15Å; F129-M147 HydrophobicContact CD2-CB 4.19Å; F129-M147 HydrophobicContact CD2-CG 3.98Å; F129-M147 HydrophobicContact CD2-SD 3.89Å; F129-M147 HydrophobicContact CE1-CB 4.46Å; F129-M147 HydrophobicContact CE1-CG 4.06Å; F129-M147 HydrophobicContact CE2-CB 4.09Å; F129-M147 HydrophobicContact CE2-CG 4.26Å; F129-M147 HydrophobicContact CG-CB 4.42Å; F129-M147 HydrophobicContact CG-CG 3.73Å; F129-M147 HydrophobicContact CG-SD 3.56Å; F129-M147 VanDerWaalsContact CG-SD 3.56Å; F129-M147 HydrophobicContact CZ-CB 4.22Å; F129-M147 HydrophobicContact CZ-CG 4.3Å; F129-L151 HydrophobicContact CE2-CD1 3.89Å; F129-L151 HydrophobicContact CE2-CD2 3.93Å; F129-L151 HydrophobicContact CE2-CG 3.78Å; F129-L151 HydrophobicContact CZ-CD2 4.21Å; F129-L151 HydrophobicContact CZ-CG 4.1Å; F129-I173 HydrophobicContact CD2-CG2 3.89Å; F129-I173 HydrophobicContact CE2-CG2 4.29Å; F129-M177 HydrophobicContact CB-CE 4.46Å; F129-M177 HydrophobicContact CB-SD 4.26Å; F129-M177 HydrophobicContact CD2-CG 4.2Å; F129-M177 HydrophobicContact CD2-SD 3.9Å
130K95.1Very high93.3Very high49 Ų4944.5 Ų44.521%0.21326%0.256CS..Hα-helixtrans-61.6-35.9176.2-174.960.4170.6178.30112.5R126 K127 C133 P134 S136 P137 I139R126-K130 WeakPolarHBondContact O-CB 3.37Å; R126-K130 PolarHBondContact O-N 3.44Å; K127-K130 PolarHBondContact O-N 3.26Å; K130-C133 CarbonylContact O-C 3.47Å; K130-P134 PolarHBondContact NZ-O 2.83Å; K130-S136 WeakPolarHBondContact CD-OG 3.35Å; K130-S136 PolarHBondContact NZ-O 3.5Å; K130-P137 PolarHBondContact NZ-O 3.08Å; K130-I139 HydrophobicContact CB-CG1 4.15Å; K130-I139 HydrophobicContact CG-CD1 4.37Å; K130-I139 HydrophobicContact CG-CG1 4Å
131K93.8Very high93Very high117 Ų11749.5 Ų49.551%0.50928%0.278SS..Hα-helixtrans-64.6-44.1172.6-69.3171.1-171.9172.80111.3K127 E128 F129K127-K131 WeakPolarHBondContact O-CG 2.98Å; K127-K131 PolarHBondContact O-N 3.19Å; E128-K131 WeakPolarHBondContact O-CB 3.48Å; E128-K131 PolarHBondContact O-N 2.84Å; E128-K131 IonicContact OE1-NZ 2.97Å; E128-K131 PolarHBondContact OE1-NZ 2.92Å; F129-K131 VanDerWaalsContact C-N 3.28Å; F129-K131 PolarHBondContact O-N 3.35Å
132C91.9Very high92.8Very high23 Ų2348.1 Ų48.116%0.15527%0.268CS..Hα-helixtrans-68.5-36.7179.6178.80000112.9E128 F129 M177 Y182 H184E128-C132 WeakPolarHBondContact O-CB 3.43Å; E128-C132 PolarHBondContact O-N 3.47Å; F129-C132 CarbonylContact O-C 3.55Å; F129-C132 WeakPolarHBondContact O-CB 3.32Å; F129-C132 PolarHBondContact O-N 3.24Å; F129-C132 VanDerWaalsContact O-N 3.12Å; C132-M177 HydrophobicContact CB-CE 3.95Å; C132-Y182 VanDerWaalsContact SG-CB 3.5Å; C132-Y182 VanDerWaalsContact SG-CD1 3.53Å; C132-H184 HydrophobicContact CB-CB 4.28Å
133C90.6Very high92.5Very high17 Ų1751.5 Ų51.512%0.11529%0.286CS..  trans-129.176.6-172.9-620000110.6F129 K130 G135 S136 Y182F129-C133 HydrophobicContact CD1-CB 4.14Å; F129-C133 HydrophobicContact CE1-CB 3.8Å; F129-C133 HydrophobicContact CZ-CB 4.16Å; F129-C133 WeakPolarHBondContact O-CB 3.49Å; F129-C133 PolarHBondContact O-N 3.14Å; K130-C133 CarbonylContact O-C 3.47Å; C133-G135 PolarHBondContact O-N 3.03Å; C133-G135 VanDerWaalsContact O-N 3.07Å; C133-S136 VanDerWaalsContact O-CB 3.26Å; C133-S136 WeakPolarHBondContact O-CB 3.43Å; C133-S136 PolarHBondContact O-N 2.87Å; C133-S136 PolarHBondContact O-OG 3.02Å; C133-S136 VanDerWaalsContact O-OG 3.09Å; C133-Y182 WeakPolarHBondContact SG-CE1 3.46Å
134P87.5Confident92.2Very high99 Ų9950.9 Ų50.964%0.64328%0.284SS*.THydrogen-bonded Turntrans-58.5-29.6-173.6-27.135.5000114.7K130 S136K130-P134 PolarHBondContact NZ-O 2.83Å; P134-S136 VanDerWaalsContact C-N 3.25Å; P134-S136 PolarHBondContact O-N 3.41Å
135G86.3Confident91.9Very high86 Ų8653 Ų5389%0.88730%0.303SS*.THydrogen-bonded Turntrans-75.9-1.8177.500000115.4C133C133-G135 PolarHBondContact O-N 3.03Å; C133-G135 VanDerWaalsContact O-N 3.07Å
136S89.5Confident91.6Very high16 Ų1653.8 Ų53.811%0.11231%0.309CS..SBendtrans-66.1168.5174.676.60000111.7K130 C133 P134K130-S136 WeakPolarHBondContact CD-OG 3.35Å; K130-S136 PolarHBondContact NZ-O 3.5Å; C133-S136 VanDerWaalsContact O-CB 3.26Å; C133-S136 WeakPolarHBondContact O-CB 3.43Å; C133-S136 PolarHBondContact O-N 2.87Å; C133-S136 PolarHBondContact O-OG 3.02Å; C133-S136 VanDerWaalsContact O-OG 3.09Å; P134-S136 VanDerWaalsContact C-N 3.25Å; P134-S136 PolarHBondContact O-N 3.41Å
137P89.9Confident91.6Very high57 Ų5751.4 Ų51.437%0.3730%0.3SS..PPolyproline II helixtrans-53.7167.6170.1-26.135.5000113.7K130 K141K130-P137 PolarHBondContact NZ-O 3.08Å; P137-K141 HydrophobicContact CB-CB 4.28Å
138D90.8Very high91.4Very high94 Ų9449.9 Ų49.950%0.50329%0.294SS..PPolyproline II helixtrans-62152.4170.7-63-41.5000111.1D140 K141 L142D138-D140 WeakPolarHBondContact CB-OD1 3.39Å; D138-D140 PolarHBondContact O-N 3.3Å; D138-K141 PolarHBondContact O-N 2.72Å; D138-L142 PolarHBondContact O-N 3.46Å
139I89.3Confident91Very high73 Ų7356.8 Ų56.837%0.37433%0.326SS..G310 helixtrans-59.2-33.6-170.8-65.1169.3000112.1K127 K130 K141 L142K127-I139 HydrophobicContact CG-CD1 4.41Å; K130-I139 HydrophobicContact CB-CG1 4.15Å; K130-I139 HydrophobicContact CG-CD1 4.37Å; K130-I139 HydrophobicContact CG-CG1 4Å; I139-K141 PolarHBondContact O-N 3.42Å; I139-L142 PolarHBondContact O-N 2.79Å
140D87.1Confident90.6Very high124 Ų12459.1 Ų59.166%0.66334%0.343SS*.G310 helixtrans-65.8-23.4178.562.4-51.2000113.3D138D138-D140 WeakPolarHBondContact CB-OD1 3.39Å; D138-D140 PolarHBondContact O-N 3.3Å
141K89.5Confident90.3Very high136 Ų13657.9 Ų57.959%0.59134%0.338SS*.G310 helixtrans-104.2-2.4179-59.1176.9-170.4163.60113P137 D138 I139 D143P137-K141 HydrophobicContact CB-CB 4.28Å; D138-K141 PolarHBondContact O-N 2.72Å; I139-K141 PolarHBondContact O-N 3.42Å; K141-D143 PolarHBondContact O-N 3.03Å
142L91.7Very high89.8Confident0 Ų059.3 Ų59.30%035%0.351CS..  trans-90.8102.4-177.6-159.276.1000108.6R126 F129 D138 I139 M147R126-L142 HydrophobicContact CB-CD2 4.12Å; R126-L142 WeakPolarHBondContact CD-O 3.3Å; R126-L142 VanDerWaalsContact CG-O 3.26Å; R126-L142 WeakPolarHBondContact CG-O 3.35Å; R126-L142 VanDerWaalsContact CZ-O 3.3Å; R126-L142 PolarHBondContact NE-O 3.45Å; R126-L142 VanDerWaalsContact NE-O 3.15Å; R126-L142 PolarHBondContact NH1-O 2.86Å; R126-L142 VanDerWaalsContact O-CD2 3.24Å; R126-L142 WeakPolarHBondContact O-CD2 3.03Å; F129-L142 HydrophobicContact CB-CD2 4.13Å; F129-L142 HydrophobicContact CD1-CD1 4.13Å; F129-L142 HydrophobicContact CD1-CD2 3.76Å; F129-L142 HydrophobicContact CD1-CG 4.44Å; F129-L142 HydrophobicContact CE1-CD1 4.3Å; F129-L142 HydrophobicContact CG-CD2 4.32Å; D138-L142 PolarHBondContact O-N 3.46Å; I139-L142 PolarHBondContact O-N 2.79Å; L142-M147 HydrophobicContact CD1-CG 3.91Å; L142-M147 HydrophobicContact CD2-CG 4.06Å; L142-M147 HydrophobicContact CD2-SD 4.13Å; L142-M147 HydrophobicContact CG-CG 3.71Å; L142-M147 HydrophobicContact CG-SD 4.26Å
143D91.9Very high89.3Confident71 Ų7162.1 Ų62.138%0.3836%0.361SS..  trans-113179.1167.365.318.2000110.4K141 A145 A146 M147K141-D143 PolarHBondContact O-N 3.03Å; D143-A145 PolarHBondContact O-N 3.22Å; D143-A145 WeakPolarHBondContact OD1-CB 3.48Å; D143-A145 PolarHBondContact OD1-N 2.72Å; D143-A145 VanDerWaalsContact OD1-N 3.11Å; D143-A146 PolarHBondContact O-N 2.71Å; D143-A146 WeakPolarHBondContact OD1-CB 3.47Å; D143-A146 PolarHBondContact OD1-N 3.18Å; D143-M147 WeakPolarHBondContact O-CG 3.49Å; D143-M147 PolarHBondContact O-N 3.15Å
144V92.4Very high88.3Confident6 Ų670.4 Ų70.44%0.03640%0.398CS..Hα-helixtrans-56.8-40.4179.7177.90000111.6D95 M147 T148 Q166 D169 M170 I173D95-V144 HydrophobicContact CB-CG2 3.88Å; D95-V144 VanDerWaalsContact CG-CG2 3.44Å; V144-M147 HydrophobicContact CG2-CE 4.17Å; V144-M147 PolarHBondContact O-N 2.81Å; V144-T148 WeakPolarHBondContact O-CB 3.39Å; V144-T148 PolarHBondContact O-N 2.88Å; V144-T148 PolarHBondContact O-OG1 3.49Å; V144-Q166 HydrophobicContact CB-CG 4.03Å; V144-Q166 HydrophobicContact CG1-CG 4.15Å; V144-Q166 HydrophobicContact CG2-CG 3.73Å; V144-D169 HydrophobicContact CG1-CB 3.5Å; V144-M170 HydrophobicContact CG1-CG 4.29Å; V144-M170 HydrophobicContact CG2-CG 3.7Å; V144-M170 HydrophobicContact CG2-SD 4.31Å; V144-I173 HydrophobicContact CG1-CD1 3.94Å
145A90.6Very high87.2Confident51 Ų5173.4 Ų73.442%0.42140%0.401SS..Hα-helixtrans-65-44.7179.800000111.8D143 M147 T148 E149D143-A145 PolarHBondContact O-N 3.22Å; D143-A145 WeakPolarHBondContact OD1-CB 3.48Å; D143-A145 PolarHBondContact OD1-N 2.72Å; D143-A145 VanDerWaalsContact OD1-N 3.11Å; A145-M147 VanDerWaalsContact C-N 3.33Å; A145-M147 PolarHBondContact O-N 3.26Å; A145-T148 PolarHBondContact O-N 3.18Å; A145-E149 WeakPolarHBondContact O-CB 3.38Å; A145-E149 PolarHBondContact O-N 3.19Å
146A91.6Very high85.9Confident16 Ų1673.5 Ų73.513%0.13239%0.388CS..Hα-helixtrans-64.5-36.217700000112.5D143 S150D143-A146 PolarHBondContact O-N 2.71Å; D143-A146 WeakPolarHBondContact OD1-CB 3.47Å; D143-A146 PolarHBondContact OD1-N 3.18Å; A146-S150 WeakPolarHBondContact O-CB 3.41Å; A146-S150 PolarHBondContact O-N 2.68Å; A146-S150 PolarHBondContact O-OG 3.32Å
147M94Very high84.1Confident0 Ų080.4 Ų80.40%042%0.424CS..Hα-helixtrans-67.6-45174.7-70.2-173.7-71.100111.6L125 R126 F129 L142 D143 V144 A145 E149 S150 L151 I173L125-M147 HydrophobicContact CD2-CE 3.94Å; L125-M147 HydrophobicContact CG-CE 3.98Å; L125-M147 HydrophobicContact CG-SD 4.21Å; R126-M147 HydrophobicContact CG-CE 4.29Å; F129-M147 HydrophobicContact CB-CG 4.25Å; F129-M147 HydrophobicContact CB-SD 3.43Å; F129-M147 WeakPolarHBondContact CB-SD 3.26Å; F129-M147 HydrophobicContact CD1-CG 3.79Å; F129-M147 HydrophobicContact CD1-SD 4.15Å; F129-M147 HydrophobicContact CD2-CB 4.19Å; F129-M147 HydrophobicContact CD2-CG 3.98Å; F129-M147 HydrophobicContact CD2-SD 3.89Å; F129-M147 HydrophobicContact CE1-CB 4.46Å; F129-M147 HydrophobicContact CE1-CG 4.06Å; F129-M147 HydrophobicContact CE2-CB 4.09Å; F129-M147 HydrophobicContact CE2-CG 4.26Å; F129-M147 HydrophobicContact CG-CB 4.42Å; F129-M147 HydrophobicContact CG-CG 3.73Å; F129-M147 HydrophobicContact CG-SD 3.56Å; F129-M147 VanDerWaalsContact CG-SD 3.56Å; F129-M147 HydrophobicContact CZ-CB 4.22Å; F129-M147 HydrophobicContact CZ-CG 4.3Å; L142-M147 HydrophobicContact CD1-CG 3.91Å; L142-M147 HydrophobicContact CD2-CG 4.06Å; L142-M147 HydrophobicContact CD2-SD 4.13Å; L142-M147 HydrophobicContact CG-CG 3.71Å; L142-M147 HydrophobicContact CG-SD 4.26Å; D143-M147 WeakPolarHBondContact O-CG 3.49Å; D143-M147 PolarHBondContact O-N 3.15Å; V144-M147 HydrophobicContact CG2-CE 4.17Å; V144-M147 PolarHBondContact O-N 2.81Å; A145-M147 VanDerWaalsContact C-N 3.33Å; A145-M147 PolarHBondContact O-N 3.26Å; M147-E149 VanDerWaalsContact C-N 3.34Å; M147-E149 PolarHBondContact O-N 3.45Å; M147-S150 WeakPolarHBondContact O-CB 3.46Å; M147-S150 PolarHBondContact O-N 3.21Å; M147-L151 WeakPolarHBondContact O-CG 3.47Å; M147-L151 PolarHBondContact O-N 3.42Å; M147-L151 VanDerWaalsContact O-N 3.09Å; M147-I173 HydrophobicContact CB-CD1 3.67Å; M147-I173 HydrophobicContact CB-CG1 4.28Å; M147-I173 HydrophobicContact CE-CD1 4.26Å; M147-I173 HydrophobicContact SD-CG2 4.5Å
148T91.8Very high82.7Confident4 Ų481.3 Ų81.33%0.02543%0.432CS..Hα-helixtrans-60-43.2175.9-61.20000111.5V144 A145 L151 N152 F153V144-T148 WeakPolarHBondContact O-CB 3.39Å; V144-T148 PolarHBondContact O-N 2.88Å; V144-T148 PolarHBondContact O-OG1 3.49Å; A145-T148 PolarHBondContact O-N 3.18Å; T148-L151 PolarHBondContact O-N 3.41Å; T148-N152 PolarHBondContact O-N 2.71Å; T148-F153 HydrophobicContact CG2-CB 3.59Å; T148-F153 HydrophobicContact CG2-CD2 4.26Å; T148-F153 HydrophobicContact CG2-CG 4.45Å; T148-F153 PolarHBondContact O-N 3.02Å
149E90.4Very high80.9Confident152 Ų15284.3 Ų84.371%0.7145%0.453SS*.Hα-helixtrans-62.6-43.6175-175.6175-16300111.6A145 M147 L151 N152A145-E149 WeakPolarHBondContact O-CB 3.38Å; A145-E149 PolarHBondContact O-N 3.19Å; M147-E149 VanDerWaalsContact C-N 3.34Å; M147-E149 PolarHBondContact O-N 3.45Å; E149-L151 PolarHBondContact O-N 3.49Å; E149-N152 PolarHBondContact O-N 3.28Å
150S87.6Confident79.6Confident51 Ų5183.2 Ų83.236%0.35745%0.452SS..Hα-helixtrans-62.9-26.9177.8-60.70000113.3A146 M147A146-S150 WeakPolarHBondContact O-CB 3.41Å; A146-S150 PolarHBondContact O-N 2.68Å; A146-S150 PolarHBondContact O-OG 3.32Å; M147-S150 WeakPolarHBondContact O-CB 3.46Å; M147-S150 PolarHBondContact O-N 3.21Å
151L87.9Confident79.1Confident23 Ų2385.6 Ų85.612%0.1245%0.451CS..THydrogen-bonded Turntrans-91.5-1.9177.4-67178.2000113.6F129 M147 T148 E149 F153 I173 A176 Y182F129-L151 HydrophobicContact CE2-CD1 3.89Å; F129-L151 HydrophobicContact CE2-CD2 3.93Å; F129-L151 HydrophobicContact CE2-CG 3.78Å; F129-L151 HydrophobicContact CZ-CD2 4.21Å; F129-L151 HydrophobicContact CZ-CG 4.1Å; M147-L151 WeakPolarHBondContact O-CG 3.47Å; M147-L151 PolarHBondContact O-N 3.42Å; M147-L151 VanDerWaalsContact O-N 3.09Å; T148-L151 PolarHBondContact O-N 3.41Å; E149-L151 PolarHBondContact O-N 3.49Å; L151-F153 VanDerWaalsContact C-N 3.32Å; L151-F153 HydrophobicContact CB-CD2 3.86Å; L151-F153 HydrophobicContact CB-CE2 3.97Å; L151-F153 HydrophobicContact CB-CG 4.44Å; L151-F153 HydrophobicContact CD1-CD2 4.08Å; L151-F153 HydrophobicContact CD1-CE2 3.54Å; L151-F153 HydrophobicContact CD1-CZ 4.36Å; L151-F153 HydrophobicContact CG-CE2 4.44Å; L151-F153 PolarHBondContact O-N 3.4Å; L151-I173 HydrophobicContact CD1-CB 4.25Å; L151-I173 HydrophobicContact CD1-CG1 3.98Å; L151-I173 HydrophobicContact CD1-CG2 4.19Å; L151-A176 HydrophobicContact CD1-CB 3.85Å; L151-A176 HydrophobicContact CD2-CB 4.48Å; L151-Y182 HydrophobicContact CD2-CE2 3.77Å
152N84Confident78.8Confident147 Ų14783.1 Ų83.179%0.78644%0.439SS*.THydrogen-bonded Turntrans57.138.3-175.2-55-70.2000114.1T148 E149T148-N152 PolarHBondContact O-N 2.71Å; E149-N152 PolarHBondContact O-N 3.28Å
153F80.6Confident78.4Confident81 Ų8183.9 Ų83.936%0.35545%0.447SS..PPolyproline II helixtrans-78134.9172.8-75.3-45.8000111.5T148 L151 N172 A176T148-F153 HydrophobicContact CG2-CB 3.59Å; T148-F153 HydrophobicContact CG2-CD2 4.26Å; T148-F153 HydrophobicContact CG2-CG 4.45Å; T148-F153 PolarHBondContact O-N 3.02Å; L151-F153 VanDerWaalsContact C-N 3.32Å; L151-F153 HydrophobicContact CB-CD2 3.86Å; L151-F153 HydrophobicContact CB-CE2 3.97Å; L151-F153 HydrophobicContact CB-CG 4.44Å; L151-F153 HydrophobicContact CD1-CD2 4.08Å; L151-F153 HydrophobicContact CD1-CE2 3.54Å; L151-F153 HydrophobicContact CD1-CZ 4.36Å; L151-F153 HydrophobicContact CG-CE2 4.44Å; L151-F153 PolarHBondContact O-N 3.4Å; F153-N172 HydrophobicContact CE2-CB 4.04Å; F153-N172 HydrophobicContact CZ-CB 4.21Å; F153-A176 HydrophobicContact CE2-CB 4.18Å; F153-A176 HydrophobicContact CZ-CB 3.75Å
154E70Confident78.2Confident191 Ų19180.7 Ų80.789%0.89343%0.431SS*.PPolyproline II helixtrans-69130.7170.4-67.6-171167.200109.8S156E154-S156 PolarHBondContact O-N 2.81Å
155K64.4Low78.1Confident162 Ų16282.8 Ų82.870%0.70445%0.445SS*.PPolyproline II helixtrans-66.8127.4174.4-74.6-175.8177.21790109.6D157K155-D157 PolarHBondContact O-N 3.41Å
156S58.1Low78.1Confident88 Ų8884 Ų8462%0.61544%0.442SS*.  trans-78107.7168.2-176.30000109.2E154 S158E154-S156 PolarHBondContact O-N 2.81Å; S156-S158 PolarHBondContact O-N 3.04Å
157D53.1Low78.2Confident161 Ų16184 Ų8486%0.86144%0.441SS*.  trans-71.226.8178.3-86.8-17.7000114.2K155K155-D157 PolarHBondContact O-N 3.41Å
158S59.3Low78.1Confident77 Ų7787.2 Ų87.254%0.53846%0.456SS..  trans-74.7134.9175.569.50000110.9S156 S160S156-S158 PolarHBondContact O-N 3.04Å; S158-S160 PolarHBondContact O-N 3.49Å
159V53.8Low78.1Confident156 Ų15688.5 Ų88.595%0.94546%0.462SS*.  trans-67.384.7170.9-177.40000108
160S62.3Low78.4Confident50 Ų5082.3 Ų82.335%0.3543%0.434SS..PPolyproline II helixtrans-89.9153.2178.9770000110.6S158 S165S158-S160 PolarHBondContact O-N 3.49Å; S160-S165 VanDerWaalsContact OG-CB 3.29Å; S160-S165 WeakPolarHBondContact OG-CB 3.4Å; S160-S165 PolarHBondContact OG-N 3.38Å
161R76.3Confident78.7Confident174 Ų17480 Ų8066%0.65742%0.418SS*.PPolyproline II helixtrans-58.4156173.5-62.9179.1-173.91631.8109.9E36 G163 A164E36-R161 VanDerWaalsContact OE2-CD 3.23Å; E36-R161 WeakPolarHBondContact OE2-CD 3.26Å; E36-R161 IonicContact OE2-CZ 2.64Å; E36-R161 IonicContact OE2-NE 2.85Å; E36-R161 IonicContact OE2-NH1 2.64Å; E36-R161 PolarHBondContact OE2-NH1 2.7Å; R161-G163 PolarHBondContact O-N 2.89Å; R161-A164 HydrophobicContact CB-CB 4.25Å; R161-A164 WeakPolarHBondContact O-CB 2.9Å; R161-A164 PolarHBondContact O-N 2.74Å
162Y82Confident79Confident84 Ų8481.9 Ų81.933%0.32943%0.428SS..THydrogen-bonded Turntrans-51.3129.9179.5179.5-94.6000111.5T5 L18 L20 E53 T54 A164T5-Y162 WeakPolarHBondContact CG2-OH 3.25Å; L18-Y162 HydrophobicContact CD2-CD1 4.2Å; L20-Y162 VanDerWaalsContact CD1-O 3.32Å; L20-Y162 WeakPolarHBondContact CD1-O 3.21Å; E53-Y162 HydrophobicContact CB-CD2 4.25Å; E53-Y162 HydrophobicContact CB-CE2 3.77Å; E53-Y162 VanDerWaalsContact O-CD2 3.3Å; E53-Y162 WeakPolarHBondContact O-CD2 3.3Å; E53-Y162 PolarHBondContact OE2-OH 3.29Å; E53-Y162 VanDerWaalsContact OE2-OH 3.11Å; T54-Y162 HydrophobicContact CG2-CD1 3.75Å; T54-Y162 HydrophobicContact CG2-CD2 4.25Å; T54-Y162 HydrophobicContact CG2-CE1 3.76Å; T54-Y162 HydrophobicContact CG2-CE2 4.26Å; T54-Y162 HydrophobicContact CG2-CG 3.98Å; Y162-A164 PolarHBondContact O-N 3.49Å; Y162-A164 VanDerWaalsContact O-N 3.14Å
163G84Confident79.6Confident16 Ų1674.9 Ų74.917%0.16539%0.391CS..THydrogen-bonded Turntrans73.4-10.8-178.300000115.8R161 Q166 V167R161-G163 PolarHBondContact O-N 2.89Å; G163-Q166 WeakPolarHBondContact O-CB 3.48Å; G163-Q166 PolarHBondContact O-N 3.1Å; G163-V167 PolarHBondContact O-N 3.42Å; G163-V167 VanDerWaalsContact O-N 3.11Å
164A88.8Confident80.3Confident5 Ų571.7 Ų71.74%0.04138%0.377CS..Hα-helixtrans-64.1-49.618000000112L34 R161 Y162 Q166 V167 E168L34-A164 HydrophobicContact CD2-CB 3.56Å; R161-A164 HydrophobicContact CB-CB 4.25Å; R161-A164 WeakPolarHBondContact O-CB 2.9Å; R161-A164 PolarHBondContact O-N 2.74Å; Y162-A164 PolarHBondContact O-N 3.49Å; Y162-A164 VanDerWaalsContact O-N 3.14Å; A164-Q166 PolarHBondContact O-N 3.07Å; A164-V167 PolarHBondContact O-N 3.46Å; A164-V167 VanDerWaalsContact O-N 3.17Å; A164-E168 WeakPolarHBondContact O-CG 3.41Å; A164-E168 PolarHBondContact O-N 3.11Å
165S88.5Confident81.5Confident49 Ų4964.3 Ų64.334%0.34334%0.344SS..Hα-helixtrans-58.3-36.2174.91690000112.2S160 E168 D169S160-S165 VanDerWaalsContact OG-CB 3.29Å; S160-S165 WeakPolarHBondContact OG-CB 3.4Å; S160-S165 PolarHBondContact OG-N 3.38Å; S165-E168 PolarHBondContact O-N 2.88Å; S165-D169 WeakPolarHBondContact O-CB 3.39Å; S165-D169 PolarHBondContact O-N 3.07Å
166Q90.7Very high83Confident76 Ų7657.6 Ų57.636%0.35532%0.319SS..Hα-helixtrans-63.8-44.5177.5-171.9-177.32600111.3D95 V144 G163 A164 D169 M170D95-Q166 PolarHBondContact OD2-NE2 3.3Å; V144-Q166 HydrophobicContact CB-CG 4.03Å; V144-Q166 HydrophobicContact CG1-CG 4.15Å; V144-Q166 HydrophobicContact CG2-CG 3.73Å; G163-Q166 WeakPolarHBondContact O-CB 3.48Å; G163-Q166 PolarHBondContact O-N 3.1Å; A164-Q166 PolarHBondContact O-N 3.07Å; Q166-D169 PolarHBondContact O-N 3.34Å; Q166-M170 WeakPolarHBondContact O-CG 3.28Å; Q166-M170 PolarHBondContact O-N 3.27Å
167V93.8Very high84.7Confident18 Ų1853.4 Ų53.411%0.10929%0.29CS..Hα-helixtrans-69.4-35.3178.5175.50000111.9L20 K22 L34 G163 A164 G171L20-V167 HydrophobicContact CB-CG2 3.97Å; K22-V167 HydrophobicContact CB-CG1 3.95Å; K22-V167 HydrophobicContact CD-CG1 4.15Å; K22-V167 HydrophobicContact CG-CG1 3.73Å; L34-V167 HydrophobicContact CD1-CB 4.06Å; L34-V167 HydrophobicContact CD1-CG1 3.83Å; G163-V167 PolarHBondContact O-N 3.42Å; G163-V167 VanDerWaalsContact O-N 3.11Å; A164-V167 PolarHBondContact O-N 3.46Å; A164-V167 VanDerWaalsContact O-N 3.17Å; V167-G171 PolarHBondContact O-N 2.71Å; V167-G171 VanDerWaalsContact O-N 3.14Å
168E92.1Very high86.7Confident66 Ų6646.8 Ų46.831%0.30825%0.254SS..Hα-helixtrans-59.6-51.4170.9-70.7-69.6173.100111.3K22 A164 S165 M170 G171 N172K22-E168 WeakPolarHBondContact CE-OE1 3.24Å; K22-E168 WeakPolarHBondContact CE-OE2 3.36Å; K22-E168 IonicContact NZ-OE1 3.76Å; K22-E168 PolarHBondContact NZ-OE1 2.95Å; K22-E168 IonicContact NZ-OE2 2.76Å; K22-E168 PolarHBondContact NZ-OE2 3.33Å; A164-E168 WeakPolarHBondContact O-CG 3.41Å; A164-E168 PolarHBondContact O-N 3.11Å; S165-E168 PolarHBondContact O-N 2.88Å; E168-M170 VanDerWaalsContact C-N 3.34Å; E168-M170 PolarHBondContact O-N 2.94Å; E168-G171 PolarHBondContact O-N 2.79Å; E168-G171 VanDerWaalsContact O-N 3.08Å; E168-N172 PolarHBondContact O-N 2.93Å; E168-N172 PolarHBondContact O-ND2 3.15Å
169D93.1Very high88.4Confident31 Ų3144.6 Ų44.617%0.16624%0.239CC..Hα-helixtrans-61.3-41.8179.7-72.4-10000111.6V144 S165 Q166 G171 N172 I173V144-D169 HydrophobicContact CG1-CB 3.5Å; S165-D169 WeakPolarHBondContact O-CB 3.39Å; S165-D169 PolarHBondContact O-N 3.07Å; Q166-D169 PolarHBondContact O-N 3.34Å; D169-G171 VanDerWaalsContact C-N 3.3Å; D169-G171 PolarHBondContact O-N 3.35Å; D169-N172 PolarHBondContact O-N 2.98Å; D169-N172 VanDerWaalsContact O-N 3.16Å; D169-I173 WeakPolarHBondContact O-CB 3.3Å; D169-I173 WeakPolarHBondContact O-CD1 3.36Å; D169-I173 VanDerWaalsContact O-CG1 3.23Å; D169-I173 WeakPolarHBondContact O-CG1 3.41Å; D169-I173 PolarHBondContact O-N 2.91Å
170M95.7Very high90.1Very high22 Ų2245 Ų4511%0.10823%0.23CC..Hα-helixtrans-56.5-43.6173.4-73.5176.167.200112D95 L125 V144 Q166 E168 I173 I174D95-M170 HydrophobicContact CB-CE 4.16Å; D95-M170 HydrophobicContact CB-SD 3.9Å; D95-M170 VanDerWaalsContact N-CE 3.34Å; L125-M170 HydrophobicContact CD2-CB 3.98Å; L125-M170 HydrophobicContact CD2-CE 4Å; L125-M170 HydrophobicContact CD2-CG 3.75Å; V144-M170 HydrophobicContact CG1-CG 4.29Å; V144-M170 HydrophobicContact CG2-CG 3.7Å; V144-M170 HydrophobicContact CG2-SD 4.31Å; Q166-M170 WeakPolarHBondContact O-CG 3.28Å; Q166-M170 PolarHBondContact O-N 3.27Å; E168-M170 VanDerWaalsContact C-N 3.34Å; E168-M170 PolarHBondContact O-N 2.94Å; M170-I173 PolarHBondContact O-N 2.93Å; M170-I174 WeakPolarHBondContact O-CD1 3.37Å; M170-I174 VanDerWaalsContact O-CG1 3.24Å; M170-I174 WeakPolarHBondContact O-CG1 3.42Å; M170-I174 PolarHBondContact O-N 2.94Å
171G95.2Very high91.5Very high3 Ų347.8 Ų47.83%0.03125%0.247CC..Hα-helixtrans-60.8-44.6175.900000112.2V167 E168 D169 I174 L175V167-G171 PolarHBondContact O-N 2.71Å; V167-G171 VanDerWaalsContact O-N 3.14Å; E168-G171 PolarHBondContact O-N 2.79Å; E168-G171 VanDerWaalsContact O-N 3.08Å; D169-G171 VanDerWaalsContact C-N 3.3Å; D169-G171 PolarHBondContact O-N 3.35Å; G171-I174 PolarHBondContact O-N 3.07Å; G171-L175 WeakPolarHBondContact O-CG 3.28Å; G171-L175 PolarHBondContact O-N 2.63Å
172N93.8Very high92.2Very high62 Ų6243.8 Ų43.833%0.33223%0.232SC..Hα-helixtrans-65.7-41.8178-66.1-33.3000112.4F153 E168 D169 L175 A176F153-N172 HydrophobicContact CE2-CB 4.04Å; F153-N172 HydrophobicContact CZ-CB 4.21Å; E168-N172 PolarHBondContact O-N 2.93Å; E168-N172 PolarHBondContact O-ND2 3.15Å; D169-N172 PolarHBondContact O-N 2.98Å; D169-N172 VanDerWaalsContact O-N 3.16Å; N172-L175 PolarHBondContact O-N 3.18Å; N172-A176 PolarHBondContact O-N 3.06Å
173I95.5Very high92.8Very high0 Ų044.4 Ų44.40%024%0.242CC..Hα-helixtrans-58.4-48.5174.1-70159.8000110L125 F129 V144 M147 L151 D169 M170 L175 A176 M177L125-I173 HydrophobicContact CD1-CG2 4.22Å; L125-I173 HydrophobicContact CD2-CG2 4.36Å; F129-I173 HydrophobicContact CD2-CG2 3.89Å; F129-I173 HydrophobicContact CE2-CG2 4.29Å; V144-I173 HydrophobicContact CG1-CD1 3.94Å; M147-I173 HydrophobicContact CB-CD1 3.67Å; M147-I173 HydrophobicContact CB-CG1 4.28Å; M147-I173 HydrophobicContact CE-CD1 4.26Å; M147-I173 HydrophobicContact SD-CG2 4.5Å; L151-I173 HydrophobicContact CD1-CB 4.25Å; L151-I173 HydrophobicContact CD1-CG1 3.98Å; L151-I173 HydrophobicContact CD1-CG2 4.19Å; D169-I173 WeakPolarHBondContact O-CB 3.3Å; D169-I173 WeakPolarHBondContact O-CD1 3.36Å; D169-I173 VanDerWaalsContact O-CG1 3.23Å; D169-I173 WeakPolarHBondContact O-CG1 3.41Å; D169-I173 PolarHBondContact O-N 2.91Å; M170-I173 PolarHBondContact O-N 2.93Å; I173-L175 VanDerWaalsContact C-N 3.34Å; I173-L175 PolarHBondContact O-N 3.11Å; I173-A176 PolarHBondContact O-N 3.01Å; I173-M177 HydrophobicContact CG2-CG 4.3Å; I173-M177 HydrophobicContact CG2-SD 3.75Å; I173-M177 VanDerWaalsContact O-CG 3.26Å; I173-M177 WeakPolarHBondContact O-CG 3.39Å; I173-M177 PolarHBondContact O-N 3.36Å
174I96.4Very high93.3Very high14 Ų1445.1 Ų45.17%0.07224%0.24CC..Hα-helixtrans-59.8-45.1178.6-69164.8000110.6V24 L26 C93 L125 M170 G171 A176 M177 I178 F186V24-I174 HydrophobicContact CB-CG2 4.47Å; V24-I174 HydrophobicContact CG1-CG2 3.93Å; V24-I174 HydrophobicContact CG2-CD1 4.34Å; L26-I174 HydrophobicContact CD2-CG2 3.74Å; C93-I174 HydrophobicContact CB-CD1 4.33Å; L125-I174 HydrophobicContact CD1-CD1 4.42Å; L125-I174 HydrophobicContact CD1-CG1 3.76Å; M170-I174 WeakPolarHBondContact O-CD1 3.37Å; M170-I174 VanDerWaalsContact O-CG1 3.24Å; M170-I174 WeakPolarHBondContact O-CG1 3.42Å; M170-I174 PolarHBondContact O-N 2.94Å; G171-I174 PolarHBondContact O-N 3.07Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-A176 PolarHBondContact O-N 2.82Å; I174-M177 PolarHBondContact O-N 3.41Å; I174-I178 WeakPolarHBondContact O-CG1 3.37Å; I174-I178 PolarHBondContact O-N 3.28Å; I174-I178 VanDerWaalsContact O-N 3.12Å; I174-F186 HydrophobicContact CG1-CZ 4.3Å; I174-F186 HydrophobicContact CG2-CE2 4.03Å; I174-F186 HydrophobicContact CG2-CZ 4.19Å
175L95.1Very high93.5Very high36 Ų3653.9 Ų53.919%0.18827%0.272CS..Hα-helixtrans-62.4-38.3177.6-73.5-167.2000113.2V24 K29 V31 G171 N172 I173 I178 S179V24-L175 HydrophobicContact CG1-CD2 3.77Å; V24-L175 HydrophobicContact CG1-CG 4.35Å; K29-L175 HydrophobicContact CB-CD2 4.2Å; V31-L175 HydrophobicContact CG2-CD1 3.59Å; V31-L175 HydrophobicContact CG2-CD2 4.5Å; V31-L175 HydrophobicContact CG2-CG 3.82Å; G171-L175 WeakPolarHBondContact O-CG 3.28Å; G171-L175 PolarHBondContact O-N 2.63Å; N172-L175 PolarHBondContact O-N 3.18Å; I173-L175 VanDerWaalsContact C-N 3.34Å; I173-L175 PolarHBondContact O-N 3.11Å; L175-I178 HydrophobicContact CD2-CD1 4.03Å; L175-I178 WeakPolarHBondContact O-CG1 3.39Å; L175-S179 WeakPolarHBondContact O-CB 3.25Å; L175-S179 PolarHBondContact O-N 3.32Å; L175-S179 PolarHBondContact O-OG 3.32Å
176A94.6Very high93.8Very high22 Ų2253 Ų5318%0.18226%0.263CS..Hα-helixtrans-66-45.9174.400000111.5L151 F153 N172 I173 I174 I178 S179L151-A176 HydrophobicContact CD1-CB 3.85Å; L151-A176 HydrophobicContact CD2-CB 4.48Å; F153-A176 HydrophobicContact CE2-CB 4.18Å; F153-A176 HydrophobicContact CZ-CB 3.75Å; N172-A176 PolarHBondContact O-N 3.06Å; I173-A176 PolarHBondContact O-N 3.01Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-A176 PolarHBondContact O-N 2.82Å; A176-I178 VanDerWaalsContact C-N 3.3Å; A176-I178 PolarHBondContact O-N 2.93Å; A176-S179 PolarHBondContact O-N 3.13Å
177M95.4Very high93.9Very high0 Ų053.2 Ų53.20%027%0.272CS..Hα-helixtrans-58.5-40.6-180-72.2172.262.700112.3L125 E128 F129 C132 I173 I174 S179 Y182 N183 H184 F186L125-M177 HydrophobicContact CD1-SD 3.94Å; E128-M177 VanDerWaalsContact C-CE 3.47Å; E128-M177 HydrophobicContact CB-CE 3.87Å; E128-M177 WeakPolarHBondContact O-CE 3.46Å; F129-M177 HydrophobicContact CB-CE 4.46Å; F129-M177 HydrophobicContact CB-SD 4.26Å; F129-M177 HydrophobicContact CD2-CG 4.2Å; F129-M177 HydrophobicContact CD2-SD 3.9Å; C132-M177 HydrophobicContact CB-CE 3.95Å; I173-M177 HydrophobicContact CG2-CG 4.3Å; I173-M177 HydrophobicContact CG2-SD 3.75Å; I173-M177 VanDerWaalsContact O-CG 3.26Å; I173-M177 WeakPolarHBondContact O-CG 3.39Å; I173-M177 PolarHBondContact O-N 3.36Å; I174-M177 PolarHBondContact O-N 3.41Å; M177-S179 VanDerWaalsContact C-N 3.28Å; M177-S179 PolarHBondContact O-N 3.13Å; M177-Y182 VanDerWaalsContact O-CB 3.23Å; M177-Y182 WeakPolarHBondContact O-CB 3.4Å; M177-N183 PolarHBondContact O-N 3.44Å; M177-H184 HydrophobicContact CB-CB 4.06Å; M177-H184 HydrophobicContact CE-CB 4.5Å; M177-H184 VanDerWaalsContact CE-CD2 3.49Å; M177-H184 WeakPolarHBondContact CE-CD2 3.44Å; M177-H184 WeakPolarHBondContact O-CB 3.38Å; M177-H184 PolarHBondContact O-N 2.87Å; M177-F186 HydrophobicContact CE-CE1 4.39Å; M177-F186 HydrophobicContact CE-CZ 3.96Å
178I95.4Very high93.9Very high22 Ų2257.9 Ų57.911%0.11330%0.297CS..THydrogen-bonded Turntrans-81.1-5.3179.668.5175.8000113.8L26 K29 I174 L175 A176 F186L26-I178 HydrophobicContact CB-CD1 4.4Å; L26-I178 HydrophobicContact CD2-CD1 4Å; L26-I178 HydrophobicContact CD2-CG2 4.3Å; K29-I178 HydrophobicContact CG-CD1 4.06Å; I174-I178 WeakPolarHBondContact O-CG1 3.37Å; I174-I178 PolarHBondContact O-N 3.28Å; I174-I178 VanDerWaalsContact O-N 3.12Å; L175-I178 HydrophobicContact CD2-CD1 4.03Å; L175-I178 WeakPolarHBondContact O-CG1 3.39Å; A176-I178 VanDerWaalsContact C-N 3.3Å; A176-I178 PolarHBondContact O-N 2.93Å; I178-F186 HydrophobicContact CG2-CD2 4.24Å; I178-F186 HydrophobicContact CG2-CE2 3.81Å
179S93.9Very high94.1Very high31 Ų3155.9 Ų55.922%0.21729%0.29CS..SBendtrans-102.3167.1-179.3-63.50000111.2K29 L175 A176 M177 Y182 N183K29-S179 PolarHBondContact NZ-OG 3.06Å; K29-S179 VanDerWaalsContact NZ-OG 3.1Å; L175-S179 WeakPolarHBondContact O-CB 3.25Å; L175-S179 PolarHBondContact O-N 3.32Å; L175-S179 PolarHBondContact O-OG 3.32Å; A176-S179 PolarHBondContact O-N 3.13Å; M177-S179 VanDerWaalsContact C-N 3.28Å; M177-S179 PolarHBondContact O-N 3.13Å; S179-Y182 PolarHBondContact O-N 3.42Å; S179-N183 PolarHBondContact O-N 2.65Å
180E90.6Very high94.3Very high164 Ų16456.1 Ų56.177%0.76629%0.29SS*.THydrogen-bonded Turntrans-61.4141.9172.4-69.4-173.117500110.1
181P90.4Very high94.3Very high108 Ų10863.3 Ų63.370%0.70132%0.315SS*.THydrogen-bonded Turncis-86.8-6.3734.7-36.3000115
182Y91.9Very high94.4Very high90 Ų9063.5 Ų63.535%0.35332%0.316SS..THydrogen-bonded Turntrans-78.7-43-166.7-62-67.8000114.4C132 C133 L151 M177 S179 H184C132-Y182 VanDerWaalsContact SG-CB 3.5Å; C132-Y182 VanDerWaalsContact SG-CD1 3.53Å; C133-Y182 WeakPolarHBondContact SG-CE1 3.46Å; L151-Y182 HydrophobicContact CD2-CE2 3.77Å; M177-Y182 VanDerWaalsContact O-CB 3.23Å; M177-Y182 WeakPolarHBondContact O-CB 3.4Å; S179-Y182 PolarHBondContact O-N 3.42Å; Y182-H184 PolarHBondContact O-N 3.3Å; Y182-H184 VanDerWaalsContact O-N 3.1Å
183N93.6Very high94.4Very high98 Ų9864 Ų6452%0.52432%0.319SS..  trans48.736.3179.8-61.7-60.9000114M177 S179M177-N183 PolarHBondContact O-N 3.44Å; S179-N183 PolarHBondContact O-N 2.65Å
184H94.7Very high94Very high30 Ų3071.1 Ų71.114%0.13935%0.347CS..  trans-63.6144-177.7-175.365000111.7E128 C132 M177 Y182 F186E128-H184 IonicContact OE2-CD2 3.64Å; E128-H184 IonicContact OE2-CE1 3.74Å; E128-H184 PolarHBondContact OE2-CE1 2.8Å; E128-H184 VanDerWaalsContact OE2-CE1 3.29Å; E128-H184 IonicContact OE2-NE2 3.97Å; E128-H184 PolarHBondContact OE2-NE2 3.26Å; C132-H184 HydrophobicContact CB-CB 4.28Å; M177-H184 HydrophobicContact CB-CB 4.06Å; M177-H184 HydrophobicContact CE-CB 4.5Å; M177-H184 VanDerWaalsContact CE-CD2 3.49Å; M177-H184 WeakPolarHBondContact CE-CD2 3.44Å; M177-H184 WeakPolarHBondContact O-CB 3.38Å; M177-H184 PolarHBondContact O-N 2.87Å; Y182-H184 PolarHBondContact O-N 3.3Å; Y182-H184 VanDerWaalsContact O-N 3.1Å; H184-F186 AromaticContact CD2-CE2 3.83Å; H184-F186 AromaticContact CD2-CZ 3.87Å
185R94.2Very high93.6Very high189 Ų18976.4 Ų76.471%0.71337%0.369SS*.  trans-124.5120177.1-170.9177.2-171.6-91.1-2.1110.8S187R185-S187 PolarHBondContact O-N 2.85Å
186F94.4Very high93.4Very high32 Ų3275.8 Ų75.814%0.1437%0.365CS..  trans-74105.6172.3-64.5-88000110L26 F123 E128 I174 M177 I178 H184L26-F186 HydrophobicContact CD1-CD2 4.3Å; F123-F186 HydrophobicContact CB-CD1 4.17Å; F123-F186 HydrophobicContact CD1-CB 4.3Å; F123-F186 AromaticContact CD1-CD1 3.84Å; F123-F186 HydrophobicContact CD1-CD1 3.84Å; F123-F186 HydrophobicContact CD2-CB 4.27Å; F123-F186 HydrophobicContact CD2-CD1 4.16Å; F123-F186 HydrophobicContact CE1-CB 3.85Å; F123-F186 HydrophobicContact CE1-CD1 4.25Å; F123-F186 HydrophobicContact CE2-CB 3.83Å; F123-F186 HydrophobicContact CG-CB 4.49Å; F123-F186 AromaticContact CG-CD1 3.79Å; F123-F186 HydrophobicContact CG-CD1 3.79Å; F123-F186 HydrophobicContact CZ-CB 3.61Å; E128-F186 HydrophobicContact CB-CD1 4.35Å; E128-F186 HydrophobicContact CB-CE1 3.8Å; E128-F186 HydrophobicContact CG-CD1 3.9Å; E128-F186 HydrophobicContact CG-CE1 3.79Å; I174-F186 HydrophobicContact CG1-CZ 4.3Å; I174-F186 HydrophobicContact CG2-CE2 4.03Å; I174-F186 HydrophobicContact CG2-CZ 4.19Å; M177-F186 HydrophobicContact CE-CE1 4.39Å; M177-F186 HydrophobicContact CE-CZ 3.96Å; I178-F186 HydrophobicContact CG2-CD2 4.24Å; I178-F186 HydrophobicContact CG2-CE2 3.81Å; H184-F186 AromaticContact CD2-CE2 3.83Å; H184-F186 AromaticContact CD2-CZ 3.87Å
187S92.7Very high93.1Very high80 Ų8079.4 Ų79.456%0.55938%0.378SS*.  trans-131.1-26.4-175.160.70000115.9R185 P189R185-S187 PolarHBondContact O-N 2.85Å; S187-P189 WeakPolarHBondContact O-CD 3.24Å
188D93.3Very high92.6Very high115 Ų11582 Ų8262%0.61540%0.397SS*.  trans-12180.3-175.8-172.535.6000110.5
189P96.4Very high91.9Very high25 Ų2582.1 Ų82.116%0.16240%0.403CS..  trans-72.3145.9179.730.7-34.5000110.5S121 F122 F123 S187S121-P189 VanDerWaalsContact OG-CB 3.3Å; S121-P189 WeakPolarHBondContact OG-CB 3.19Å; S121-P189 VanDerWaalsContact OG-CG 3.23Å; S121-P189 WeakPolarHBondContact OG-CG 3.3Å; F122-P189 CarbonylContact O-C 3.52Å; F122-P189 WeakPolarHBondContact O-CA 3.48Å; F122-P189 WeakPolarHBondContact O-CB 3.41Å; F123-P189 HydrophobicContact CD1-CB 4.14Å; F123-P189 HydrophobicContact CD2-CB 4.23Å; F123-P189 HydrophobicContact CE1-CB 3.82Å; F123-P189 HydrophobicContact CE1-CG 4.46Å; F123-P189 HydrophobicContact CE2-CB 3.92Å; F123-P189 HydrophobicContact CG-CB 4.34Å; F123-P189 HydrophobicContact CZ-CB 3.69Å; F123-P189 HydrophobicContact CZ-CG 4.09Å; S187-P189 WeakPolarHBondContact O-CD 3.24Å
190E96.8Very high91.3Very high35 Ų3584.5 Ų84.516%0.16442%0.416CS..EExtended strand (participates in β ladder)trans-60.9153.1167.2-70-161.8-143.200111.3R101 S121 F122 D124 K127R101-E190 IonicContact CZ-OE2 2.73Å; R101-E190 IonicContact NE-OE2 2.97Å; R101-E190 PolarHBondContact NE-OE2 3.16Å; R101-E190 IonicContact NH2-OE2 3.95Å; R101-E190 PolarHBondContact NH2-OE2 3.44Å; S121-E190 VanDerWaalsContact CA-O 3.24Å; S121-E190 WeakPolarHBondContact CA-O 3.41Å; S121-E190 PolarHBondContact OG-O 3.43Å; F122-E190 HydrophobicContact CD1-CB 4.19Å; F122-E190 HydrophobicContact CE1-CB 3.77Å; F122-E190 HydrophobicContact CE2-CB 4.1Å; F122-E190 HydrophobicContact CE2-CG 4.48Å; F122-E190 HydrophobicContact CZ-CB 3.71Å; F122-E190 HydrophobicContact CZ-CG 4.33Å; F122-E190 PolarHBondContact N-O 3.46Å; F122-E190 WeakPolarHBondContact O-CA 3.28Å; F122-E190 WeakPolarHBondContact O-CB 3.32Å; F122-E190 PolarHBondContact O-N 2.94Å; D124-E190 WeakPolarHBondContact CB-OE1 3.49Å; K127-E190 WeakPolarHBondContact CD-OE1 3.33Å; K127-E190 WeakPolarHBondContact CE-OE1 3.42Å; K127-E190 IonicContact NZ-OE1 3.78Å; K127-E190 PolarHBondContact NZ-OE1 3.02Å; K127-E190 IonicContact NZ-OE2 3.91Å
191R96.7Very high91Very high173 Ų17377.2 Ų77.265%0.65338%0.383SS*.EExtended strand (participates in β ladder)trans-125.9147179.9-62.8-172.5179.4-158.4-1.9112.4R101 Y120 N235R101-R191 PolarHBondContact NH1-O 2.67Å; R101-R191 PolarHBondContact NH2-O 3.31Å; R101-R191 VanDerWaalsContact NH2-O 3.08Å; Y120-R191 WeakPolarHBondContact O-CA 3.34Å; R191-N235 PolarHBondContact O-ND2 3.44Å
192V96.9Very high90.6Very high7 Ų774.9 Ų74.94%0.04237%0.37CS..  trans-111.7132.3165.9-175.30000108.2I100 Y120 F122 Y194 N235I100-V192 HydrophobicContact CG2-CG2 3.99Å; Y120-V192 HydrophobicContact CD1-CB 4.27Å; Y120-V192 HydrophobicContact CD1-CG1 4.49Å; Y120-V192 WeakPolarHBondContact CD1-O 2.97Å; Y120-V192 PolarHBondContact O-N 3.37Å; F122-V192 HydrophobicContact CE1-CG2 4.17Å; V192-Y194 PolarHBondContact O-N 3.32Å; V192-N235 WeakPolarHBondContact CA-OD1 3.32Å
193N93.8Very high90.1Very high73 Ų7376.8 Ų76.839%0.3938%0.38SS..  trans-69.8129.3179.8-70.6-9000110.7K195 N235N193-K195 VanDerWaalsContact C-N 3.34Å; N193-K195 PolarHBondContact O-N 3.47Å; N193-N235 PolarHBondContact N-OD1 3.46Å
194Y87.5Confident89.5Confident150 Ų15080.3 Ų80.359%0.58840%0.395SS*.SBendtrans-60.5-45.9179.2-173.6-95.1000111.9Y120 V192 K232Y120-Y194 HydrophobicContact CD1-CD2 4.32Å; Y120-Y194 AromaticContact CE1-CD2 3.76Å; Y120-Y194 HydrophobicContact CE1-CD2 3.76Å; Y120-Y194 HydrophobicContact CE1-CG 4.39Å; Y120-Y194 AromaticContact CE2-CD2 3.95Å; Y120-Y194 HydrophobicContact CE2-CD2 3.95Å; Y120-Y194 HydrophobicContact CE2-CE2 4.2Å; Y120-Y194 AromaticContact CZ-CD2 3.54Å; Y120-Y194 AromaticContact CZ-CE2 3.92Å; V192-Y194 PolarHBondContact O-N 3.32Å; Y194-K232 PolarHBondContact O-NZ 3.37Å
195K88.2Confident89Confident124 Ų12482.2 Ų82.254%0.53940%0.404SS..SBendtrans-131.4151.4-179.562.5179.7-177.4176.20110.3N193N193-K195 VanDerWaalsContact C-N 3.34Å; N193-K195 PolarHBondContact O-N 3.47Å
196F90.7Very high88.7Confident24 Ų2481 Ų8111%0.10541%0.411CS..  trans-77.1136.4166.7167.6-110.3000109.9D224 A228 I236 A241F196-D224 HydrophobicContact CE1-CB 3.87Å; F196-A228 HydrophobicContact CB-CB 3.44Å; F196-A228 VanDerWaalsContact CB-CB 3.44Å; F196-A228 HydrophobicContact CD1-CB 4.04Å; F196-A228 HydrophobicContact CD2-CB 4.46Å; F196-A228 HydrophobicContact CG-CB 3.73Å; F196-I236 HydrophobicContact CD2-CB 3.98Å; F196-I236 HydrophobicContact CD2-CG2 3.93Å; F196-I236 HydrophobicContact CE2-CB 4.15Å; F196-I236 HydrophobicContact CE2-CG2 3.57Å; F196-A241 HydrophobicContact CE1-CB 4.21Å; F196-A241 HydrophobicContact CE2-CB 4.24Å; F196-A241 HydrophobicContact CZ-CB 3.66Å
197E87.8Confident88.6Confident98 Ų9880.4 Ų80.446%0.45841%0.409SS..  trans-102.4109.1178.5-63-173.8174.300109.8K238 G239E197-K238 HydrophobicContact CB-CB 4.34Å; E197-K238 HydrophobicContact CB-CG 4.04Å; E197-K238 CarbonylContact O-C 3.49Å; E197-K238 WeakPolarHBondContact O-CA 3.3Å; E197-G239 PolarHBondContact O-N 3.18Å
198S84.5Confident88.6Confident55 Ų5581.2 Ų81.239%0.38541%0.407SS..  trans-64.8150.4169-51.90000109.7D224S198-D224 PolarHBondContact OG-OD2 3.07Å
199G81.6Confident88.6Confident24 Ų2479.7 Ų79.725%0.24740%0.399CS..  trans-177.8171.3-177.200000112.6G239 A392G199-G239 VanDerWaalsContact O-CA 3.29Å; G199-G239 WeakPolarHBondContact O-CA 3.3Å; G199-A392 WeakPolarHBondContact O-CB 3.47Å
200T81.8Confident88.6Confident80 Ų8079.2 Ų79.249%0.49140%0.396SS..  trans-87.5148.5174.250.70000111.3L306 A392T200-L306 HydrophobicContact CG2-CB 3.77Å; T200-L306 HydrophobicContact CG2-CD1 3.39Å; T200-L306 HydrophobicContact CG2-CG 4.23Å; T200-A392 HydrophobicContact CG2-CB 3.9Å
201C83.3Confident88.6Confident11 Ų1178.1 Ų78.17%0.07439%0.392CS..EExtended strand (participates in β ladder)trans-112.3131.8168.8-178.80000109.3E205 F291 A295 G297C201-E205 PolarHBondContact SG-OE2 2.98Å; C201-F291 HydrophobicContact CB-CE1 4.07Å; C201-A295 HydrophobicContact CB-CB 4.12Å; C201-G297 PolarHBondContact O-N 3.08Å; C201-G297 VanDerWaalsContact O-N 3.11Å
202S81.9Confident88.7Confident60 Ų6069.9 Ų69.942%0.4236%0.361SS..EExtended strand (participates in β ladder)trans-78.6140.2176.9176.40000109.9M204 E205 L292S202-M204 PolarHBondContact O-N 2.7Å; S202-M204 PolarHBondContact OG-N 2.87Å; S202-E205 VanDerWaalsContact O-CB 3.23Å; S202-E205 WeakPolarHBondContact O-CB 3.42Å; S202-E205 PolarHBondContact O-N 2.75Å; S202-L292 WeakPolarHBondContact O-CD2 3.44Å
203K81.1Confident88.8Confident129 Ų12969.6 Ų69.656%0.56136%0.359SS*.THydrogen-bonded Turntrans-63.3-20.1172.9-165.9173.6-178.2177.90113.5E205 G297 T298K203-E205 VanDerWaalsContact C-N 3.33Å; K203-G297 PolarHBondContact N-O 3.28Å; K203-T298 HydrophobicContact CB-CG2 3.47Å; K203-T298 VanDerWaalsContact CB-CG2 3.47Å; K203-T298 HydrophobicContact CD-CG2 3.64Å; K203-T298 HydrophobicContact CG-CG2 4.17Å
204M81.7Confident89Confident172 Ų17269.4 Ų69.485%0.84735%0.353SS*.THydrogen-bonded Turntrans-88.8-2.1177.4-57.2-179.710000112.8S202S202-M204 PolarHBondContact O-N 2.7Å; S202-M204 PolarHBondContact OG-N 2.87Å
205E84.7Confident89.5Confident70 Ų7062.4 Ų62.433%0.32733%0.326SS..  trans-70.3134.5179.3-165.3174.3174.500110.6C201 S202 K203 I207 R258 L292C201-E205 PolarHBondContact SG-OE2 2.98Å; S202-E205 VanDerWaalsContact O-CB 3.23Å; S202-E205 WeakPolarHBondContact O-CB 3.42Å; S202-E205 PolarHBondContact O-N 2.75Å; K203-E205 VanDerWaalsContact C-N 3.33Å; E205-I207 HydrophobicContact CG-CG1 4.47Å; E205-R258 IonicContact OE1-CZ 3.79Å; E205-R258 VanDerWaalsContact OE1-CZ 3.28Å; E205-R258 IonicContact OE1-NH1 2.79Å; E205-R258 PolarHBondContact OE1-NH1 3.42Å; E205-R258 IonicContact OE1-NH2 2.72Å; E205-R258 PolarHBondContact OE1-NH2 2.85Å; E205-R258 IonicContact OE2-NH1 3.3Å; E205-R258 PolarHBondContact OE2-NH1 3.07Å; E205-L292 WeakPolarHBondContact O-CD1 3.39Å
206L87.6Confident90Very high165 Ų16560.6 Ų60.686%0.86432%0.315SS*.  trans-85.9118.2172.2-64.9176000108.6
207I91.5Very high90.2Very high18 Ų1860.3 Ų60.39%0.09232%0.319CS..  trans-112.9124.7178.5-55.8-176000107.7E205 D209 V212 R258 F291 L292E205-I207 HydrophobicContact CG-CG1 4.47Å; I207-D209 PolarHBondContact O-N 3.12Å; I207-V212 HydrophobicContact CG2-CG2 3.69Å; I207-R258 HydrophobicContact CG2-CG 4.26Å; I207-F291 HydrophobicContact CD1-CB 4.32Å; I207-F291 HydrophobicContact CD1-CD1 3.35Å; I207-F291 HydrophobicContact CD1-CE1 4.01Å; I207-F291 HydrophobicContact CD1-CG 4.15Å; I207-L292 HydrophobicContact CD1-CD1 4.47Å; I207-L292 HydrophobicContact CD1-CD2 3.6Å; I207-L292 HydrophobicContact CD1-CG 3.74Å; I207-L292 HydrophobicContact CG1-CD1 4.49Å; I207-L292 HydrophobicContact CG1-CD2 4.21Å; I207-L292 HydrophobicContact CG1-CG 4.27Å
208D93.2Very high90.5Very high97 Ų9755.7 Ų55.752%0.51930%0.298SS..  trans-70.6125.7173.6-177.6-4000110.2S210 T211D208-S210 PolarHBondContact O-N 2.8Å; D208-S210 VanDerWaalsContact O-N 3.15Å; D208-S210 WeakPolarHBondContact OD1-CB 3.3Å; D208-S210 PolarHBondContact OD1-N 3.35Å; D208-S210 PolarHBondContact OD1-OG 3.41Å; D208-S210 VanDerWaalsContact OD1-OG 3.06Å; D208-S210 PolarHBondContact OD2-OG 3.45Å; D208-T211 HydrophobicContact CB-CG2 3.99Å; D208-T211 PolarHBondContact O-N 3.41Å; D208-T211 PolarHBondContact O-OG1 3.22Å
209D93.7Very high90.9Very high84 Ų8454.9 Ų54.945%0.44929%0.291SS..G310 helixtrans-56.8-26.2176.6-68.8-14.7000112.3I207 T211 A286 T287 G288I207-D209 PolarHBondContact O-N 3.12Å; D209-T211 PolarHBondContact O-N 2.89Å; D209-A286 VanDerWaalsContact O-O 3.09Å; D209-T287 HydrophobicContact CB-CG2 4.49Å; D209-T287 WeakPolarHBondContact OD1-CA 3.07Å; D209-T287 WeakPolarHBondContact OD1-CB 3.31Å; D209-G288 PolarHBondContact OD1-N 3.5Å
210S95.7Very high91Very high15 Ų1562.6 Ų62.611%0.10531%0.313CS..G310 helixtrans-67.7-13.7176.580.20000113.5D208 E262 R265D208-S210 PolarHBondContact O-N 2.8Å; D208-S210 VanDerWaalsContact O-N 3.15Å; D208-S210 WeakPolarHBondContact OD1-CB 3.3Å; D208-S210 PolarHBondContact OD1-N 3.35Å; D208-S210 PolarHBondContact OD1-OG 3.41Å; D208-S210 VanDerWaalsContact OD1-OG 3.06Å; D208-S210 PolarHBondContact OD2-OG 3.45Å; S210-E262 WeakPolarHBondContact O-CA 3.23Å; S210-R265 VanDerWaalsContact O-CB 3.28Å; S210-R265 WeakPolarHBondContact O-CB 2.94Å; S210-R265 WeakPolarHBondContact O-CG 3.35Å; S210-R265 PolarHBondContact O-NE 3.37Å; S210-R265 PolarHBondContact O-NH1 2.88Å; S210-R265 VanDerWaalsContact O-NH1 3.17Å
211T97.4Very high91.1Very high12 Ų1266.3 Ų66.37%0.07433%0.325CS..G310 helixtrans-104.9-1.3-170.967.60000114.8D208 D209 F259D208-T211 HydrophobicContact CB-CG2 3.99Å; D208-T211 PolarHBondContact O-N 3.41Å; D208-T211 PolarHBondContact O-OG1 3.22Å; D209-T211 PolarHBondContact O-N 2.89Å; T211-F259 PolarHBondContact O-N 3.48Å
212V98.1Very high91.4Very high0 Ų066 Ų660%032%0.323CS..EExtended strand (participates in β ladder)trans-112.6137.9-172.2-169.60000112.2I207 L256 V257 R258 A286 F291I207-V212 HydrophobicContact CG2-CG2 3.69Å; V212-L256 HydrophobicContact CG1-CD2 4.27Å; V212-V257 WeakPolarHBondContact CA-O 3.33Å; V212-R258 HydrophobicContact CG2-CB 4.33Å; V212-R258 HydrophobicContact CG2-CG 4.41Å; V212-A286 HydrophobicContact CB-CB 4.44Å; V212-A286 HydrophobicContact CG1-CB 3.95Å; V212-A286 PolarHBondContact O-N 3.49Å; V212-A286 VanDerWaalsContact O-N 3.11Å; V212-F291 HydrophobicContact CG1-CB 4.07Å; V212-F291 HydrophobicContact CG1-CD2 4.27Å; V212-F291 HydrophobicContact CG2-CB 4.33Å
213V98.6Very high91.8Very high0 Ų063.5 Ų63.50%031%0.305CS..EExtended strand (participates in β ladder)trans-119.6155.6165.9-54.60000111.5F231 L256 V257 F259 R265 A268 L269 V283 Y284V213-F231 HydrophobicContact CG2-CZ 4.17Å; V213-L256 WeakPolarHBondContact O-CA 3.39Å; V213-V257 HydrophobicContact CG2-CB 3.88Å; V213-V257 HydrophobicContact CG2-CG2 4.48Å; V213-V257 PolarHBondContact N-O 3.18Å; V213-V257 PolarHBondContact O-N 3.04Å; V213-F259 HydrophobicContact CB-CE2 4.44Å; V213-F259 HydrophobicContact CG1-CE2 3.99Å; V213-F259 HydrophobicContact CG2-CE2 3.65Å; V213-F259 HydrophobicContact CG2-CZ 4.35Å; V213-R265 HydrophobicContact CG1-CG 3.64Å; V213-A268 HydrophobicContact CG1-CB 4.23Å; V213-L269 HydrophobicContact CG1-CD2 4.09Å; V213-L269 HydrophobicContact CG1-CG 4.4Å; V213-V283 HydrophobicContact CB-CG1 3.79Å; V213-V283 HydrophobicContact CG1-CG1 4.04Å; V213-V283 HydrophobicContact CG2-CG1 3.91Å; V213-Y284 CarbonylContact C-O 3.46Å; V213-Y284 WeakPolarHBondContact CA-O 3.49Å; V213-Y284 WeakPolarHBondContact CB-O 3.25Å
214R98.3Very high92.2Very high70 Ų7057.6 Ų57.626%0.26428%0.28SS..EExtended strand (participates in β ladder)trans-105.3120.9164.2-171.7172.1-173.3158.62.7109.3R216 E254 A255 L256 V283 Y284 A286R214-R216 HydrophobicContact CG-CG 4.27Å; R214-E254 IonicContact CZ-OE1 3.89Å; R214-E254 IonicContact CZ-OE2 2.79Å; R214-E254 IonicContact NE-OE1 3.28Å; R214-E254 PolarHBondContact NE-OE1 3.41Å; R214-E254 IonicContact NE-OE2 3.86Å; R214-E254 VanDerWaalsContact NH2-CD 3.3Å; R214-E254 IonicContact NH2-OE1 3.96Å; R214-E254 PolarHBondContact NH2-OE1 3.16Å; R214-E254 IonicContact NH2-OE2 2.71Å; R214-E254 PolarHBondContact NH2-OE2 3.46Å; R214-A255 CarbonylContact C-O 3.53Å; R214-A255 WeakPolarHBondContact CA-O 3.23Å; R214-L256 HydrophobicContact CB-CD2 3.81Å; R214-L256 HydrophobicContact CG-CD2 4.09Å; R214-V283 WeakPolarHBondContact O-CA 3.33Å; R214-Y284 PolarHBondContact N-O 2.91Å; R214-Y284 PolarHBondContact O-N 2.76Å; R214-A286 HydrophobicContact CB-CB 4.04Å
215A98.3Very high92.6Very high2 Ų251.3 Ų51.32%0.01725%0.248CC..EExtended strand (participates in β ladder)trans-96.7130.7170.300000109.3L218 F231 E254 A255 I281 E282A215-L218 HydrophobicContact CB-CD1 3.86Å; A215-L218 VanDerWaalsContact O-CD1 3.29Å; A215-L218 WeakPolarHBondContact O-CD1 3.23Å; A215-F231 HydrophobicContact CB-CE2 4.48Å; A215-E254 CarbonylContact O-C 3.53Å; A215-E254 VanDerWaalsContact O-CA 3.24Å; A215-E254 WeakPolarHBondContact O-CA 3.34Å; A215-A255 PolarHBondContact N-O 3.49Å; A215-A255 PolarHBondContact O-N 3.21Å; A215-I281 HydrophobicContact CB-CG2 3.91Å; A215-E282 CarbonylContact C-O 3.58Å; A215-E282 WeakPolarHBondContact CA-O 3.38Å
216R97.6Very high93Very high86 Ų8650.3 Ų50.333%0.32525%0.245SC..EExtended strand (participates in β ladder)trans-124.3155.2176.4-58.8-171.6168.9145.67111.2R214 E254 I281 E282R214-R216 HydrophobicContact CG-CG 4.27Å; R216-E254 HydrophobicContact CB-CG 4.39Å; R216-E254 VanDerWaalsContact CD-OE1 3.3Å; R216-E254 WeakPolarHBondContact CD-OE1 3.19Å; R216-E254 HydrophobicContact CG-CG 3.97Å; R216-E254 IonicContact CZ-OE1 3.12Å; R216-E254 IonicContact NE-OE1 2.73Å; R216-E254 PolarHBondContact NE-OE1 2.96Å; R216-I281 WeakPolarHBondContact O-CA 3.44Å; R216-E282 HydrophobicContact CB-CB 4.28Å; R216-E282 PolarHBondContact N-O 2.73Å; R216-E282 PolarHBondContact O-N 2.82Å
217G95.6Very high93.4Very high18 Ų1842.5 Ų42.519%0.18621%0.205CC..SBendtrans91.17.6177.700000114G253 R279G217-G253 PolarHBondContact N-O 2.76Å; G217-R279 PolarHBondContact O-NE 3.23Å; G217-R279 VanDerWaalsContact O-NE 3.1Å; G217-R279 PolarHBondContact O-NH2 3.21Å; G217-R279 VanDerWaalsContact O-NH2 3.13Å
218L95Very high93.6Very high2 Ų242.2 Ų42.21%0.0121%0.205CC..  trans-56.2140179.9-69.678.3000110.6A215 W220 I227 L243 G253 A255 I281A215-L218 HydrophobicContact CB-CD1 3.86Å; A215-L218 VanDerWaalsContact O-CD1 3.29Å; A215-L218 WeakPolarHBondContact O-CD1 3.23Å; L218-W220 PolarHBondContact O-N 2.84Å; L218-I227 HydrophobicContact CD2-CD1 3.67Å; L218-I227 HydrophobicContact CD2-CG1 3.54Å; L218-L243 HydrophobicContact CD2-CD2 4.19Å; L218-G253 WeakPolarHBondContact CD1-O 3.39Å; L218-G253 PolarHBondContact N-O 3.06Å; L218-A255 HydrophobicContact CD1-CB 4.45Å; L218-A255 HydrophobicContact CD2-CB 3.92Å; L218-I281 HydrophobicContact CG-CD1 4.44Å
219P91.4Very high93.7Very high38 Ų3843.7 Ų43.725%0.24720%0.203CC..  trans-49.3140.4164-23.128.9000111.5Q221 S222 M276 R279P219-Q221 PolarHBondContact O-N 3.36Å; P219-Q221 VanDerWaalsContact O-N 3.1Å; P219-S222 WeakPolarHBondContact CB-OG 3.25Å; P219-S222 VanDerWaalsContact CD-OG 3.25Å; P219-S222 WeakPolarHBondContact CD-OG 3.2Å; P219-S222 VanDerWaalsContact O-CB 3.24Å; P219-S222 WeakPolarHBondContact O-CB 3.45Å; P219-S222 PolarHBondContact O-N 3.36Å; P219-S222 PolarHBondContact O-OG 3.27Å; P219-S222 VanDerWaalsContact O-OG 3.07Å; P219-M276 HydrophobicContact CG-CG 4.47Å; P219-M276 HydrophobicContact CG-SD 4.34Å; P219-R279 HydrophobicContact CG-CB 4.3Å; P219-R279 HydrophobicContact CG-CG 4.03Å
220W84.6Confident93.8Very high186 Ų18640.8 Ų40.871%0.70519%0.186SC*.THydrogen-bonded Turntrans-64-21.6-175.6-64.5-36000114.3L218 R251L218-W220 PolarHBondContact O-N 2.84Å; W220-R251 WeakPolarHBondContact O-CD 3.45Å
221Q83.6Confident93.9Very high157 Ų15740.1 Ų40.173%0.73418%0.182SC*.THydrogen-bonded Turntrans-89.3-4.7176.9-64.1-169.270.700113.2P219 S223 R251P219-Q221 PolarHBondContact O-N 3.36Å; P219-Q221 VanDerWaalsContact O-N 3.1Å; Q221-S223 PolarHBondContact O-N 2.69Å; Q221-R251 PolarHBondContact O-NH1 2.73Å
222S89.9Confident93.9Very high6 Ų641.7 Ų41.74%0.04219%0.187CC..  trans-57.4138.6-178-660000112.3P219 D226 R251 M276P219-S222 WeakPolarHBondContact CB-OG 3.25Å; P219-S222 VanDerWaalsContact CD-OG 3.25Å; P219-S222 WeakPolarHBondContact CD-OG 3.2Å; P219-S222 VanDerWaalsContact O-CB 3.24Å; P219-S222 WeakPolarHBondContact O-CB 3.45Å; P219-S222 PolarHBondContact O-N 3.36Å; P219-S222 PolarHBondContact O-OG 3.27Å; P219-S222 VanDerWaalsContact O-OG 3.07Å; S222-D226 WeakPolarHBondContact CA-OD2 3.29Å; S222-R251 PolarHBondContact O-NH1 3.28Å; S222-M276 PolarHBondContact OG-SD 3Å
223S89.8Confident93.8Very high6 Ų641.7 Ų41.74%0.04219%0.188CC..  trans-103.4172.5174.663.50000111.8Q221 Q225 D226 I227 R389Q221-S223 PolarHBondContact O-N 2.69Å; S223-Q225 PolarHBondContact O-N 3.38Å; S223-Q225 PolarHBondContact OG-N 3.42Å; S223-D226 WeakPolarHBondContact CB-OD2 3.45Å; S223-D226 PolarHBondContact N-OD2 3.46Å; S223-D226 PolarHBondContact O-N 3.35Å; S223-D226 VanDerWaalsContact OG-CG 3.28Å; S223-D226 PolarHBondContact OG-N 3.27Å; S223-D226 PolarHBondContact OG-OD2 2.97Å; S223-I227 WeakPolarHBondContact O-CG1 3.13Å; S223-I227 PolarHBondContact O-N 2.71Å; S223-I227 VanDerWaalsContact O-N 3.11Å; S223-R389 VanDerWaalsContact CB-CD 3.46Å
224D90.3Very high93.8Very high5 Ų542.2 Ų42.23%0.02719%0.191CC..Hα-helixtrans-57.8-35.1168.256.4-20.6000112.6F196 S198 I227 A228 A241 R389 T391F196-D224 HydrophobicContact CE1-CB 3.87Å; S198-D224 PolarHBondContact OG-OD2 3.07Å; D224-I227 WeakPolarHBondContact O-CB 3.49Å; D224-I227 PolarHBondContact O-N 3Å; D224-A228 WeakPolarHBondContact O-CB 3.4Å; D224-A228 PolarHBondContact O-N 3.11Å; D224-A241 HydrophobicContact CB-CB 4.09Å; D224-R389 IonicContact OD1-CZ 3.02Å; D224-R389 IonicContact OD1-NE 3.48Å; D224-R389 PolarHBondContact OD1-NE 2.91Å; D224-T391 HydrophobicContact CB-CG2 3.66Å
225Q90.6Very high93.7Very high40 Ų4039.6 Ų39.619%0.18718%0.182CC..Hα-helixtrans-69.4-34.7174.3-64.8-61.5-4.500112.9S223 I227 A228 R229S223-Q225 PolarHBondContact O-N 3.38Å; S223-Q225 PolarHBondContact OG-N 3.42Å; Q225-I227 VanDerWaalsContact C-N 3.31Å; Q225-A228 PolarHBondContact O-N 3.23Å; Q225-R229 WeakPolarHBondContact O-CG 3.43Å; Q225-R229 PolarHBondContact O-N 3.22Å
226D93Very high93.7Very high50 Ų5040 Ų4027%0.26718%0.184SC..Hα-helixtrans-65.7-39174.2-58.1-51.6000111S222 S223 R229 F230 M276S222-D226 WeakPolarHBondContact CA-OD2 3.29Å; S223-D226 WeakPolarHBondContact CB-OD2 3.45Å; S223-D226 PolarHBondContact N-OD2 3.46Å; S223-D226 PolarHBondContact O-N 3.35Å; S223-D226 VanDerWaalsContact OG-CG 3.28Å; S223-D226 PolarHBondContact OG-N 3.27Å; S223-D226 PolarHBondContact OG-OD2 2.97Å; D226-R229 PolarHBondContact O-N 3.43Å; D226-R229 IonicContact OD1-NH1 3.88Å; D226-R229 PolarHBondContact OD1-NH1 3Å; D226-F230 PolarHBondContact O-N 3.27Å; D226-M276 HydrophobicContact CB-SD 4.38Å
227I95.5Very high93.6Very high1 Ų136.6 Ų36.61%0.00517%0.174CC..Hα-helixtrans-62-46.9172-65.7164.8000110.7L218 S223 D224 Q225 R229 F230 F231 L243 A255 V257L218-I227 HydrophobicContact CD2-CD1 3.67Å; L218-I227 HydrophobicContact CD2-CG1 3.54Å; S223-I227 WeakPolarHBondContact O-CG1 3.13Å; S223-I227 PolarHBondContact O-N 2.71Å; S223-I227 VanDerWaalsContact O-N 3.11Å; D224-I227 WeakPolarHBondContact O-CB 3.49Å; D224-I227 PolarHBondContact O-N 3Å; Q225-I227 VanDerWaalsContact C-N 3.31Å; I227-R229 VanDerWaalsContact C-N 3.3Å; I227-R229 PolarHBondContact O-N 3.17Å; I227-F230 WeakPolarHBondContact O-CB 3.24Å; I227-F230 PolarHBondContact O-N 3.4Å; I227-F230 VanDerWaalsContact O-N 3.17Å; I227-F231 HydrophobicContact CG2-CD2 3.95Å; I227-F231 HydrophobicContact CG2-CE2 4.13Å; I227-F231 WeakPolarHBondContact O-CD2 3.43Å; I227-F231 PolarHBondContact O-N 2.85Å; I227-L243 HydrophobicContact CD1-CD2 3.66Å; I227-L243 HydrophobicContact CD1-CG 4.18Å; I227-A255 HydrophobicContact CD1-CB 3.49Å; I227-A255 VanDerWaalsContact CD1-CB 3.49Å; I227-A255 HydrophobicContact CG1-CB 4.45Å; I227-V257 HydrophobicContact CG2-CG2 3.51Å
228A95.6Very high93.3Very high12 Ų1241.1 Ų41.110%0.09919%0.189CC..Hα-helixtrans-62.8-36.1178.300000112.7F196 D224 Q225 F231 K232 I236F196-A228 HydrophobicContact CB-CB 3.44Å; F196-A228 VanDerWaalsContact CB-CB 3.44Å; F196-A228 HydrophobicContact CD1-CB 4.04Å; F196-A228 HydrophobicContact CD2-CB 4.46Å; F196-A228 HydrophobicContact CG-CB 3.73Å; D224-A228 WeakPolarHBondContact O-CB 3.4Å; D224-A228 PolarHBondContact O-N 3.11Å; Q225-A228 PolarHBondContact O-N 3.23Å; A228-F231 CarbonylContact O-C 3.57Å; A228-F231 PolarHBondContact O-N 3.15Å; A228-K232 PolarHBondContact O-N 3.46Å; A228-I236 HydrophobicContact CB-CD1 4.21Å
229R95.2Very high93Very high127 Ų12741.4 Ų41.448%0.47919%0.192SC..Hα-helixtrans-66.5-41.6172.5-72.8-174.8-154.7108.4-0.1111.7Q225 D226 I227 F231 K232Q225-R229 WeakPolarHBondContact O-CG 3.43Å; Q225-R229 PolarHBondContact O-N 3.22Å; D226-R229 PolarHBondContact O-N 3.43Å; D226-R229 IonicContact OD1-NH1 3.88Å; D226-R229 PolarHBondContact OD1-NH1 3Å; I227-R229 VanDerWaalsContact C-N 3.3Å; I227-R229 PolarHBondContact O-N 3.17Å; R229-F231 VanDerWaalsContact C-N 3.27Å; R229-F231 PolarHBondContact O-N 2.88Å; R229-K232 VanDerWaalsContact O-CB 3.25Å; R229-K232 WeakPolarHBondContact O-CB 3.23Å; R229-K232 PolarHBondContact O-N 2.93Å; R229-K232 VanDerWaalsContact O-N 3.12Å
230F96.7Very high93.1Very high23 Ų2339.7 Ų39.710%0.10118%0.181CC..Hα-helixtrans-61.2-35.9175.8177.6-93.3000112.6D226 I227 R271 H274 M276 I281 V283D226-F230 PolarHBondContact O-N 3.27Å; I227-F230 WeakPolarHBondContact O-CB 3.24Å; I227-F230 PolarHBondContact O-N 3.4Å; I227-F230 VanDerWaalsContact O-N 3.17Å; F230-R271 HydrophobicContact CE1-CB 4.13Å; F230-R271 HydrophobicContact CZ-CB 4.09Å; F230-R271 PolarHBondContact O-NH1 3.3Å; F230-H274 HydrophobicContact CE2-CB 3.64Å; F230-H274 HydrophobicContact CZ-CB 3.75Å; F230-M276 HydrophobicContact CB-CE 3.37Å; F230-M276 HydrophobicContact CD2-CB 4.02Å; F230-M276 HydrophobicContact CD2-CE 4.12Å; F230-M276 HydrophobicContact CG-CE 3.77Å; F230-I281 HydrophobicContact CD2-CG1 4.09Å; F230-I281 HydrophobicContact CE1-CB 4.2Å; F230-I281 HydrophobicContact CE1-CG2 4.07Å; F230-I281 HydrophobicContact CE2-CB 3.83Å; F230-I281 HydrophobicContact CE2-CG1 3.68Å; F230-I281 HydrophobicContact CZ-CB 3.58Å; F230-I281 HydrophobicContact CZ-CG1 3.95Å; F230-I281 HydrophobicContact CZ-CG2 3.96Å; F230-V283 HydrophobicContact CE1-CG2 4.06Å; F230-V283 HydrophobicContact CZ-CG2 4.41Å
231F97.6Very high93.6Very high1 Ų131 Ų310%0.00415%0.149CC..THydrogen-bonded Turntrans-96.621174.8-65.6-65.8000114V213 A215 I227 A228 R229 G233 L234 I236 V257 F259 A268 V283V213-F231 HydrophobicContact CG2-CZ 4.17Å; A215-F231 HydrophobicContact CB-CE2 4.48Å; I227-F231 HydrophobicContact CG2-CD2 3.95Å; I227-F231 HydrophobicContact CG2-CE2 4.13Å; I227-F231 WeakPolarHBondContact O-CD2 3.43Å; I227-F231 PolarHBondContact O-N 2.85Å; A228-F231 CarbonylContact O-C 3.57Å; A228-F231 PolarHBondContact O-N 3.15Å; R229-F231 VanDerWaalsContact C-N 3.27Å; R229-F231 PolarHBondContact O-N 2.88Å; F231-G233 PolarHBondContact O-N 3.4Å; F231-L234 HydrophobicContact CD1-CD1 4.29Å; F231-L234 WeakPolarHBondContact O-CB 3.29Å; F231-L234 PolarHBondContact O-N 3.39Å; F231-I236 HydrophobicContact CB-CD1 4.19Å; F231-V257 HydrophobicContact CD2-CG1 4.32Å; F231-V257 HydrophobicContact CD2-CG2 4.41Å; F231-V257 HydrophobicContact CE2-CB 4.43Å; F231-V257 HydrophobicContact CE2-CG2 3.96Å; F231-F259 HydrophobicContact CB-CE1 4.09Å; F231-F259 HydrophobicContact CB-CZ 4.24Å; F231-F259 HydrophobicContact CD1-CE1 4.42Å; F231-F259 AromaticContact CD1-CZ 3.85Å; F231-F259 HydrophobicContact CD1-CZ 3.85Å; F231-F259 HydrophobicContact CD2-CZ 4.17Å; F231-F259 HydrophobicContact CE1-CZ 4.22Å; F231-F259 HydrophobicContact CG-CE1 4.2Å; F231-F259 AromaticContact CG-CZ 3.83Å; F231-F259 HydrophobicContact CG-CZ 3.83Å; F231-A268 HydrophobicContact CD1-CB 3.8Å; F231-A268 HydrophobicContact CE1-CB 3.63Å; F231-V283 HydrophobicContact CE1-CG1 4.33Å; F231-V283 HydrophobicContact CE1-CG2 4.23Å; F231-V283 HydrophobicContact CZ-CG1 4.16Å; F231-V283 HydrophobicContact CZ-CG2 4.06Å
232K96.4Very high94Very high45 Ų4523.6 Ų23.620%0.19611%0.114CC..THydrogen-bonded Turntrans-54.8138.9-179.2-167.974.5175.5175.30111.3H105 P106 Y194 A228 R229 L234 R271H105-K232 HydrophobicContact CB-CG 4.17Å; P106-K232 WeakPolarHBondContact CG-O 3.24Å; Y194-K232 PolarHBondContact O-NZ 3.37Å; A228-K232 PolarHBondContact O-N 3.46Å; R229-K232 VanDerWaalsContact O-CB 3.25Å; R229-K232 WeakPolarHBondContact O-CB 3.23Å; R229-K232 PolarHBondContact O-N 2.93Å; R229-K232 VanDerWaalsContact O-N 3.12Å; K232-L234 VanDerWaalsContact C-N 3.33Å; K232-R271 PolarHBondContact O-NH1 3.34Å; K232-R271 PolarHBondContact O-NH2 3.45Å
233G96.5Very high94.2Very high1 Ų123.6 Ų23.61%0.0111%0.114CC..THydrogen-bonded Turntrans95.4-20.7-173.200000113.6R101 H105 F231R101-G233 WeakPolarHBondContact CG-O 3.3Å; R101-G233 PolarHBondContact NH1-O 2.86Å; H105-G233 VanDerWaalsContact CB-CA 3.46Å; F231-G233 PolarHBondContact O-N 3.4Å
234L98.1Very high94.3Very high11 Ų1123.7 Ų23.76%0.05811%0.114CC..SBendtrans-102.9139.2174.3-49.7179.2000109.7R101 F231 K232 I236 F259 L267 A268R101-L234 HydrophobicContact CB-CD2 4.12Å; F231-L234 HydrophobicContact CD1-CD1 4.29Å; F231-L234 WeakPolarHBondContact O-CB 3.29Å; F231-L234 PolarHBondContact O-N 3.39Å; K232-L234 VanDerWaalsContact C-N 3.33Å; L234-I236 PolarHBondContact O-N 3.41Å; L234-F259 HydrophobicContact CB-CD1 4.06Å; L234-F259 HydrophobicContact CB-CE1 3.81Å; L234-F259 HydrophobicContact CD1-CE1 4.17Å; L234-L267 HydrophobicContact CD1-CB 4.1Å; L234-L267 HydrophobicContact CD2-CB 3.62Å; L234-L267 HydrophobicContact CD2-CD1 3.64Å; L234-L267 HydrophobicContact CD2-CG 4.31Å; L234-A268 HydrophobicContact CD1-CB 3.73Å
235N97.6Very high94.3Very high14 Ų1424.3 Ų24.38%0.07512%0.118CC..  trans-86.6106.2179.9-60.4-20.2000109.8R191 V192 N193 F259 V260 H264R191-N235 PolarHBondContact O-ND2 3.44Å; V192-N235 WeakPolarHBondContact CA-OD1 3.32Å; N193-N235 PolarHBondContact N-OD1 3.46Å; N235-F259 WeakPolarHBondContact O-CA 3.37Å; N235-V260 HydrophobicContact CB-CG1 4.04Å; N235-V260 HydrophobicContact CB-CG2 3.67Å; N235-V260 PolarHBondContact O-N 3.05Å; N235-H264 PolarHBondContact N-ND1 3.02Å; N235-H264 VanDerWaalsContact N-ND1 3.16Å
236I97.2Very high94.2Very high11 Ų1124.7 Ų24.76%0.05612%0.121CC..EExtended strand (participates in β ladder)trans-76.1137.4165.8-57.2174.7000108F196 A228 F231 L234 V257 R258 F259F196-I236 HydrophobicContact CD2-CB 3.98Å; F196-I236 HydrophobicContact CD2-CG2 3.93Å; F196-I236 HydrophobicContact CE2-CB 4.15Å; F196-I236 HydrophobicContact CE2-CG2 3.57Å; A228-I236 HydrophobicContact CB-CD1 4.21Å; F231-I236 HydrophobicContact CB-CD1 4.19Å; L234-I236 PolarHBondContact O-N 3.41Å; I236-V257 HydrophobicContact CD1-CG1 3.72Å; I236-V257 HydrophobicContact CG1-CG1 3.84Å; I236-V257 HydrophobicContact CG2-CG1 3.91Å; I236-R258 VanDerWaalsContact CG2-O 3.3Å; I236-R258 WeakPolarHBondContact CG2-O 3.49Å; I236-F259 HydrophobicContact CG1-CD1 4Å; I236-F259 HydrophobicContact CG1-CE1 3.72Å
237A95Very high93.5Very high15 Ų1526.2 Ų26.212%0.12414%0.14CC..EExtended strand (participates in β ladder)trans-63.7157.5176.100000111.5G239 G240 R258 V260A237-G239 PolarHBondContact O-N 2.86Å; A237-G240 VanDerWaalsContact O-CA 3.32Å; A237-G240 WeakPolarHBondContact O-CA 3.22Å; A237-G240 PolarHBondContact O-N 2.73Å; A237-R258 HydrophobicContact CB-CG 4.21Å; A237-R258 PolarHBondContact N-O 3.3Å; A237-V260 HydrophobicContact CB-CG1 4.35Å
238K90.8Very high92.7Very high113 Ų11332.4 Ų32.449%0.49117%0.169SC..EExtended strand (participates in β ladder)trans-57126.6174.3-179.8175.4178.7176.80109.7E197 G240 E309E197-K238 HydrophobicContact CB-CB 4.34Å; E197-K238 HydrophobicContact CB-CG 4.04Å; E197-K238 CarbonylContact O-C 3.49Å; E197-K238 WeakPolarHBondContact O-CA 3.3Å; K238-G240 PolarHBondContact O-N 3.12Å; K238-E309 IonicContact NZ-OE1 3.86Å; K238-E309 PolarHBondContact NZ-OE1 3.11Å
239G88.4Confident91.9Very high8 Ų831.8 Ų31.88%0.08216%0.164CC..EExtended strand (participates in β ladder)trans67.18.7-173.800000114.8E197 G199 A237 A241E197-G239 PolarHBondContact O-N 3.18Å; G199-G239 VanDerWaalsContact O-CA 3.29Å; G199-G239 WeakPolarHBondContact O-CA 3.3Å; A237-G239 PolarHBondContact O-N 2.86Å; G239-A241 PolarHBondContact O-N 3.03Å
240G93.3Very high91.3Very high1 Ų132.5 Ų32.51%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-73.814.8-174.700000115.1A237 K238 V257 R258A237-G240 VanDerWaalsContact O-CA 3.32Å; A237-G240 WeakPolarHBondContact O-CA 3.22Å; A237-G240 PolarHBondContact O-N 2.73Å; K238-G240 PolarHBondContact O-N 3.12Å; G240-V257 CarbonylContact O-C 3.5Å; G240-V257 WeakPolarHBondContact O-CA 3.42Å; G240-R258 PolarHBondContact O-N 3.36Å
241A94.4Very high90.9Very high5 Ų532.9 Ų32.94%0.04117%0.168CC..EExtended strand (participates in β ladder)trans-125.1113.7177.100000110.3F196 D224 G239F196-A241 HydrophobicContact CE1-CB 4.21Å; F196-A241 HydrophobicContact CE2-CB 4.24Å; F196-A241 HydrophobicContact CZ-CB 3.66Å; D224-A241 HydrophobicContact CB-CB 4.09Å; G239-A241 PolarHBondContact O-N 3.03Å
242A93.1Very high90.5Very high0 Ų035.8 Ų35.80%018%0.183CC..EExtended strand (participates in β ladder)trans-123.6110.8-174.500000110.9A255 L256 F291 I294 A295 A393A242-A255 CarbonylContact O-C 3.4Å; A242-A255 WeakPolarHBondContact O-CA 3.44Å; A242-L256 PolarHBondContact N-O 2.97Å; A242-L256 PolarHBondContact O-N 3.17Å; A242-F291 HydrophobicContact CB-CE2 3.96Å; A242-F291 HydrophobicContact CB-CZ 4.29Å; A242-I294 HydrophobicContact CB-CG2 3.89Å; A242-A295 HydrophobicContact CB-CB 3.89Å; A242-A393 HydrophobicContact CB-CB 3.85Å
243L93.3Very high90.3Very high7 Ų734 Ų344%0.03718%0.177CC..EExtended strand (participates in β ladder)trans-73.4132.2174.3-72.1164.8000110.3L218 I227 A255 T391 Q397L218-L243 HydrophobicContact CD2-CD2 4.19Å; I227-L243 HydrophobicContact CD1-CD2 3.66Å; I227-L243 HydrophobicContact CD1-CG 4.18Å; L243-A255 HydrophobicContact CD2-CB 4.3Å; L243-T391 HydrophobicContact CD1-CG2 4.17Å; L243-Q397 PolarHBondContact O-NE2 2.93Å
244C92.3Very high90.2Very high7 Ų735.3 Ų35.35%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-85.2135.1178.9-61.80000111.2N252 E254C244-N252 WeakPolarHBondContact CB-OD1 3.28Å; C244-N252 PolarHBondContact O-N 2.91Å; C244-N252 PolarHBondContact O-OD1 3.46Å; C244-N252 VanDerWaalsContact O-OD1 3.07Å; C244-E254 HydrophobicContact CB-CB 4.06Å; C244-E254 WeakPolarHBondContact CB-O 3.42Å; C244-E254 PolarHBondContact N-O 3.19Å
245L89.9Confident90.2Very high19 Ų1934.8 Ų34.810%0.09918%0.181CC..EExtended strand (participates in β ladder)trans-103.3145.1173-56.5-176.5000111.6R250 R251 E394 Q397 V398L245-R250 CarbonylContact C-O 3.59Å; L245-R250 WeakPolarHBondContact CA-O 3.46Å; L245-R251 HydrophobicContact CD2-CG 4.05Å; L245-E394 HydrophobicContact CD1-CG 3.99Å; L245-E394 HydrophobicContact CD2-CG 4.13Å; L245-E394 HydrophobicContact CG-CG 4.39Å; L245-Q397 HydrophobicContact CD1-CB 3.95Å; L245-V398 HydrophobicContact CD1-CG2 3.57Å
246N87.4Confident90.1Very high48 Ų4834.4 Ų34.426%0.25718%0.178SC..  trans-75.9177.71697210.2000111.9Q248 G249 R250 N252 R401N246-Q248 VanDerWaalsContact CG-OE1 3.3Å; N246-Q248 PolarHBondContact ND2-OE1 2.98Å; N246-Q248 VanDerWaalsContact ND2-OE1 3.13Å; N246-Q248 PolarHBondContact O-N 3.36Å; N246-Q248 VanDerWaalsContact O-N 3.15Å; N246-Q248 WeakPolarHBondContact OD1-CA 3.42Å; N246-Q248 PolarHBondContact OD1-N 2.73Å; N246-Q248 PolarHBondContact OD1-OE1 3.38Å; N246-G249 PolarHBondContact O-N 3.2Å; N246-G249 PolarHBondContact OD1-N 2.8Å; N246-G249 VanDerWaalsContact OD1-N 3.08Å; N246-R250 VanDerWaalsContact CG-O 3.26Å; N246-R250 PolarHBondContact N-O 3.21Å; N246-R250 PolarHBondContact OD1-N 2.66Å; N246-R250 PolarHBondContact OD1-O 2.89Å; N246-N252 HydrophobicContact CB-CB 4.22Å; N246-R401 PolarHBondContact O-NH2 3.43Å
247A79.3Confident90.2Very high81 Ų8133.9 Ų33.967%0.66918%0.176SC*.THydrogen-bonded Turntrans-57-30178.200000113.6G249 R401A247-G249 VanDerWaalsContact C-N 3.28Å; A247-G249 PolarHBondContact O-N 2.87Å; A247-R401 PolarHBondContact O-NE 3.05Å; A247-R401 VanDerWaalsContact O-NE 3.1Å
248Q78.2Confident90.3Very high131 Ų13135 Ų3561%0.61218%0.177SC*.THydrogen-bonded Turntrans-85.25.6177.3-59.380.527.400113.6N246 R250N246-Q248 VanDerWaalsContact CG-OE1 3.3Å; N246-Q248 PolarHBondContact ND2-OE1 2.98Å; N246-Q248 VanDerWaalsContact ND2-OE1 3.13Å; N246-Q248 PolarHBondContact O-N 3.36Å; N246-Q248 VanDerWaalsContact O-N 3.15Å; N246-Q248 WeakPolarHBondContact OD1-CA 3.42Å; N246-Q248 PolarHBondContact OD1-N 2.73Å; N246-Q248 PolarHBondContact OD1-OE1 3.38Å; Q248-R250 VanDerWaalsContact C-N 3.3Å; Q248-R250 PolarHBondContact O-N 3.07Å
249G79.4Confident90.6Very high0 Ų029.7 Ų29.70%015%0.154CC..SBendtrans73.718.9-179.400000115.1N246 A247 R315N246-G249 PolarHBondContact O-N 3.2Å; N246-G249 PolarHBondContact OD1-N 2.8Å; N246-G249 VanDerWaalsContact OD1-N 3.08Å; A247-G249 VanDerWaalsContact C-N 3.28Å; A247-G249 PolarHBondContact O-N 2.87Å; G249-R315 VanDerWaalsContact O-CZ 3.3Å; G249-R315 PolarHBondContact O-NH1 2.83Å; G249-R315 PolarHBondContact O-NH2 3.11Å
250R82.9Confident91Very high142 Ų14233.2 Ų33.254%0.53617%0.174SC..SBendtrans-100.4150.6173.8-55.7-173.2177.2-178.5-4.6109.7L245 N246 Q248 N252L245-R250 CarbonylContact C-O 3.59Å; L245-R250 WeakPolarHBondContact CA-O 3.46Å; N246-R250 VanDerWaalsContact CG-O 3.26Å; N246-R250 PolarHBondContact N-O 3.21Å; N246-R250 PolarHBondContact OD1-N 2.66Å; N246-R250 PolarHBondContact OD1-O 2.89Å; Q248-R250 VanDerWaalsContact C-N 3.3Å; Q248-R250 PolarHBondContact O-N 3.07Å; R250-N252 PolarHBondContact O-N 3.38Å
251R87.3Confident91.2Very high30 Ų3034.8 Ų34.811%0.11318%0.184CC..EExtended strand (participates in β ladder)trans-57.6131.9172.1-66.2166.2179.9-166.3-16.4110W220 Q221 S222 L245 R389 E394W220-R251 WeakPolarHBondContact O-CD 3.45Å; Q221-R251 PolarHBondContact O-NH1 2.73Å; S222-R251 PolarHBondContact O-NH1 3.28Å; L245-R251 HydrophobicContact CD2-CG 4.05Å; R251-R389 PolarHBondContact NH2-O 3.25Å; R251-E394 IonicContact NE-OE2 3.61Å; R251-E394 IonicContact NH2-OE2 2.7Å; R251-E394 PolarHBondContact NH2-OE2 3.45Å
252N89.6Confident91.3Very high62 Ų6239 Ų3933%0.33220%0.203SC..EExtended strand (participates in β ladder)trans-95.2-0.6178.871.3-11.5000113.1C244 N246 R250 E254C244-N252 WeakPolarHBondContact CB-OD1 3.28Å; C244-N252 PolarHBondContact O-N 2.91Å; C244-N252 PolarHBondContact O-OD1 3.46Å; C244-N252 VanDerWaalsContact O-OD1 3.07Å; N246-N252 HydrophobicContact CB-CB 4.22Å; R250-N252 PolarHBondContact O-N 3.38Å; N252-E254 PolarHBondContact ND2-OE2 2.84Å; N252-E254 WeakPolarHBondContact OD1-CB 3.27Å; N252-E254 PolarHBondContact OD1-N 3.02Å
253G91.8Very high91.4Very high7 Ų742.3 Ų42.37%0.07222%0.219CC..EExtended strand (participates in β ladder)trans82.822.1-175.700000113.5G217 L218G217-G253 PolarHBondContact N-O 2.76Å; L218-G253 WeakPolarHBondContact CD1-O 3.39Å; L218-G253 PolarHBondContact N-O 3.06Å
254E95.4Very high91.6Very high30 Ų3042.3 Ų42.314%0.1422%0.218CC..EExtended strand (participates in β ladder)trans-123.7154.2174.1-49.9-177.9126.700111.3R214 A215 R216 C244 N252R214-E254 IonicContact CZ-OE1 3.89Å; R214-E254 IonicContact CZ-OE2 2.79Å; R214-E254 IonicContact NE-OE1 3.28Å; R214-E254 PolarHBondContact NE-OE1 3.41Å; R214-E254 IonicContact NE-OE2 3.86Å; R214-E254 VanDerWaalsContact NH2-CD 3.3Å; R214-E254 IonicContact NH2-OE1 3.96Å; R214-E254 PolarHBondContact NH2-OE1 3.16Å; R214-E254 IonicContact NH2-OE2 2.71Å; R214-E254 PolarHBondContact NH2-OE2 3.46Å; A215-E254 CarbonylContact O-C 3.53Å; A215-E254 VanDerWaalsContact O-CA 3.24Å; A215-E254 WeakPolarHBondContact O-CA 3.34Å; R216-E254 HydrophobicContact CB-CG 4.39Å; R216-E254 VanDerWaalsContact CD-OE1 3.3Å; R216-E254 WeakPolarHBondContact CD-OE1 3.19Å; R216-E254 HydrophobicContact CG-CG 3.97Å; R216-E254 IonicContact CZ-OE1 3.12Å; R216-E254 IonicContact NE-OE1 2.73Å; R216-E254 PolarHBondContact NE-OE1 2.96Å; C244-E254 HydrophobicContact CB-CB 4.06Å; C244-E254 WeakPolarHBondContact CB-O 3.42Å; C244-E254 PolarHBondContact N-O 3.19Å; N252-E254 PolarHBondContact ND2-OE2 2.84Å; N252-E254 WeakPolarHBondContact OD1-CB 3.27Å; N252-E254 PolarHBondContact OD1-N 3.02Å
255A96.9Very high91.9Very high0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-144.1151.8172.300000111R214 A215 L218 I227 A242 L243R214-A255 CarbonylContact C-O 3.53Å; R214-A255 WeakPolarHBondContact CA-O 3.23Å; A215-A255 PolarHBondContact N-O 3.49Å; A215-A255 PolarHBondContact O-N 3.21Å; L218-A255 HydrophobicContact CD1-CB 4.45Å; L218-A255 HydrophobicContact CD2-CB 3.92Å; I227-A255 HydrophobicContact CD1-CB 3.49Å; I227-A255 VanDerWaalsContact CD1-CB 3.49Å; I227-A255 HydrophobicContact CG1-CB 4.45Å; A242-A255 CarbonylContact O-C 3.4Å; A242-A255 WeakPolarHBondContact O-CA 3.44Å; L243-A255 HydrophobicContact CD2-CB 4.3Å
256L97.1Very high92.2Very high5 Ų544.2 Ų44.23%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-104.4134.2165.4-70.4164.6000108.9V212 V213 R214 A242 A286 D290 F291 I294V212-L256 HydrophobicContact CG1-CD2 4.27Å; V213-L256 WeakPolarHBondContact O-CA 3.39Å; R214-L256 HydrophobicContact CB-CD2 3.81Å; R214-L256 HydrophobicContact CG-CD2 4.09Å; A242-L256 PolarHBondContact N-O 2.97Å; A242-L256 PolarHBondContact O-N 3.17Å; L256-A286 HydrophobicContact CD2-CB 3.58Å; L256-D290 VanDerWaalsContact CD1-C 3.43Å; L256-D290 HydrophobicContact CD1-CB 4.06Å; L256-D290 WeakPolarHBondContact CD1-O 3.47Å; L256-D290 HydrophobicContact CD2-CB 4.39Å; L256-F291 HydrophobicContact CB-CD2 3.8Å; L256-F291 HydrophobicContact CB-CE2 4.47Å; L256-I294 HydrophobicContact CD1-CB 4.24Å; L256-I294 HydrophobicContact CD1-CG1 3.73Å
257V97.8Very high92.7Very high0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-128.4122.4-176.5-171.10000109.3V212 V213 I227 F231 I236 G240 F259V212-V257 WeakPolarHBondContact CA-O 3.33Å; V213-V257 HydrophobicContact CG2-CB 3.88Å; V213-V257 HydrophobicContact CG2-CG2 4.48Å; V213-V257 PolarHBondContact N-O 3.18Å; V213-V257 PolarHBondContact O-N 3.04Å; I227-V257 HydrophobicContact CG2-CG2 3.51Å; F231-V257 HydrophobicContact CD2-CG1 4.32Å; F231-V257 HydrophobicContact CD2-CG2 4.41Å; F231-V257 HydrophobicContact CE2-CB 4.43Å; F231-V257 HydrophobicContact CE2-CG2 3.96Å; I236-V257 HydrophobicContact CD1-CG1 3.72Å; I236-V257 HydrophobicContact CG1-CG1 3.84Å; I236-V257 HydrophobicContact CG2-CG1 3.91Å; G240-V257 CarbonylContact O-C 3.5Å; G240-V257 WeakPolarHBondContact O-CA 3.42Å; V257-F259 HydrophobicContact CB-CE2 4.36Å; V257-F259 HydrophobicContact CB-CZ 4.49Å; V257-F259 HydrophobicContact CG1-CE1 4.31Å; V257-F259 HydrophobicContact CG1-CE2 4.06Å; V257-F259 HydrophobicContact CG1-CZ 3.85Å
258R97.1Very high93.6Very high40 Ų4038.4 Ų38.415%0.15119%0.185CC..EExtended strand (participates in β ladder)trans-101.9121.3176.5177.1-176.4175.3-165.3-0.1109.9E205 I207 V212 I236 A237 G240 F291E205-R258 IonicContact OE1-CZ 3.79Å; E205-R258 VanDerWaalsContact OE1-CZ 3.28Å; E205-R258 IonicContact OE1-NH1 2.79Å; E205-R258 PolarHBondContact OE1-NH1 3.42Å; E205-R258 IonicContact OE1-NH2 2.72Å; E205-R258 PolarHBondContact OE1-NH2 2.85Å; E205-R258 IonicContact OE2-NH1 3.3Å; E205-R258 PolarHBondContact OE2-NH1 3.07Å; I207-R258 HydrophobicContact CG2-CG 4.26Å; V212-R258 HydrophobicContact CG2-CB 4.33Å; V212-R258 HydrophobicContact CG2-CG 4.41Å; I236-R258 VanDerWaalsContact CG2-O 3.3Å; I236-R258 WeakPolarHBondContact CG2-O 3.49Å; A237-R258 HydrophobicContact CB-CG 4.21Å; A237-R258 PolarHBondContact N-O 3.3Å; G240-R258 PolarHBondContact O-N 3.36Å; R258-F291 HydrophobicContact CB-CD2 4.11Å; R258-F291 HydrophobicContact CB-CE2 3.93Å; R258-F291 HydrophobicContact CB-CZ 4.21Å
259F98.1Very high94.5Very high1 Ų134.1 Ų34.10%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-90.2166.2173-61.9-83.6000111.4T211 V213 F231 L234 N235 I236 V257 S261 H264 R265 A268T211-F259 PolarHBondContact O-N 3.48Å; V213-F259 HydrophobicContact CB-CE2 4.44Å; V213-F259 HydrophobicContact CG1-CE2 3.99Å; V213-F259 HydrophobicContact CG2-CE2 3.65Å; V213-F259 HydrophobicContact CG2-CZ 4.35Å; F231-F259 HydrophobicContact CB-CE1 4.09Å; F231-F259 HydrophobicContact CB-CZ 4.24Å; F231-F259 HydrophobicContact CD1-CE1 4.42Å; F231-F259 AromaticContact CD1-CZ 3.85Å; F231-F259 HydrophobicContact CD1-CZ 3.85Å; F231-F259 HydrophobicContact CD2-CZ 4.17Å; F231-F259 HydrophobicContact CE1-CZ 4.22Å; F231-F259 HydrophobicContact CG-CE1 4.2Å; F231-F259 AromaticContact CG-CZ 3.83Å; F231-F259 HydrophobicContact CG-CZ 3.83Å; L234-F259 HydrophobicContact CB-CD1 4.06Å; L234-F259 HydrophobicContact CB-CE1 3.81Å; L234-F259 HydrophobicContact CD1-CE1 4.17Å; N235-F259 WeakPolarHBondContact O-CA 3.37Å; I236-F259 HydrophobicContact CG1-CD1 4Å; I236-F259 HydrophobicContact CG1-CE1 3.72Å; V257-F259 HydrophobicContact CB-CE2 4.36Å; V257-F259 HydrophobicContact CB-CZ 4.49Å; V257-F259 HydrophobicContact CG1-CE1 4.31Å; V257-F259 HydrophobicContact CG1-CE2 4.06Å; V257-F259 HydrophobicContact CG1-CZ 3.85Å; F259-S261 PolarHBondContact O-N 3.29Å; F259-H264 HydrophobicContact CB-CB 3.74Å; F259-H264 HydrophobicContact CD1-CB 4.05Å; F259-H264 HydrophobicContact CG-CB 4.06Å; F259-R265 HydrophobicContact CD2-CB 4.06Å; F259-A268 HydrophobicContact CD2-CB 4.33Å; F259-A268 HydrophobicContact CE1-CB 4.13Å; F259-A268 HydrophobicContact CE2-CB 3.42Å; F259-A268 VanDerWaalsContact CE2-CB 3.42Å; F259-A268 HydrophobicContact CZ-CB 3.31Å
260V96.9Very high95.3Very high82 Ų8237.3 Ų37.350%0.49718%0.181SC..SBendtrans-73.7-15.5176.9-58.80000113.5N235 A237 H264N235-V260 HydrophobicContact CB-CG1 4.04Å; N235-V260 HydrophobicContact CB-CG2 3.67Å; N235-V260 PolarHBondContact O-N 3.05Å; A237-V260 HydrophobicContact CB-CG1 4.35Å; V260-H264 WeakPolarHBondContact CG2-ND1 3.45Å
261S96.9Very high96Very high33 Ų3330.8 Ų30.823%0.23116%0.157CC..SBendtrans-153.8159.5-177.564.70000112.2F259 E263 H264 R265F259-S261 PolarHBondContact O-N 3.29Å; S261-E263 VanDerWaalsContact C-N 3.28Å; S261-E263 PolarHBondContact O-N 2.66Å; S261-H264 PolarHBondContact O-N 2.86Å; S261-H264 PolarHBondContact OG-N 2.92Å; S261-R265 PolarHBondContact O-N 3.17Å
262E97Very high96.4Very high95 Ų9532.6 Ų32.644%0.44417%0.166SC..Hα-helixtrans-58.7-41.1171.8177.8162.6-143.100111.7S210 H264 R265 D266S210-E262 WeakPolarHBondContact O-CA 3.23Å; E262-H264 VanDerWaalsContact C-N 3.3Å; E262-H264 PolarHBondContact O-N 3.21Å; E262-R265 CarbonylContact O-C 3.48Å; E262-R265 WeakPolarHBondContact O-CA 3.33Å; E262-R265 VanDerWaalsContact O-CB 3.27Å; E262-R265 WeakPolarHBondContact O-CB 3.02Å; E262-R265 PolarHBondContact O-N 3.24Å; E262-R265 IonicContact OE1-CZ 2.74Å; E262-R265 IonicContact OE1-NH2 3.72Å; E262-R265 PolarHBondContact OE1-NH2 3.14Å; E262-D266 PolarHBondContact O-N 2.84Å
263E95.6Very high96.7Very high69 Ų6933.5 Ų33.532%0.32217%0.167SC..Hα-helixtrans-56.1-44.8178.9179.2174.6-143.600111.9Q97 K127 S261 D266 L267Q97-E263 VanDerWaalsContact NE2-CD 3.29Å; Q97-E263 PolarHBondContact NE2-OE1 3.01Å; Q97-E263 PolarHBondContact OE1-OE1 2.85Å; K127-E263 WeakPolarHBondContact CE-OE1 3.26Å; K127-E263 IonicContact NZ-OE1 3.64Å; K127-E263 PolarHBondContact NZ-OE1 3.07Å; K127-E263 IonicContact NZ-OE2 3.93Å; K127-E263 PolarHBondContact NZ-OE2 3.43Å; S261-E263 VanDerWaalsContact C-N 3.28Å; S261-E263 PolarHBondContact O-N 2.66Å; E263-D266 PolarHBondContact O-N 3.21Å; E263-L267 WeakPolarHBondContact O-CG 3.34Å; E263-L267 PolarHBondContact O-N 3.15Å
264H97.8Very high96.9Very high6 Ų634 Ų343%0.02817%0.167CC..Hα-helixtrans-68.4-35.4176.1-71.7-173.1000112.3R101 N235 F259 V260 S261 E262 D266 L267 A268R101-H264 PolarHBondContact NH1-NE2 2.91Å; R101-H264 PolarHBondContact NH2-NE2 3.2Å; N235-H264 PolarHBondContact N-ND1 3.02Å; N235-H264 VanDerWaalsContact N-ND1 3.16Å; F259-H264 HydrophobicContact CB-CB 3.74Å; F259-H264 HydrophobicContact CD1-CB 4.05Å; F259-H264 HydrophobicContact CG-CB 4.06Å; V260-H264 WeakPolarHBondContact CG2-ND1 3.45Å; S261-H264 PolarHBondContact O-N 2.86Å; S261-H264 PolarHBondContact OG-N 2.92Å; E262-H264 VanDerWaalsContact C-N 3.3Å; E262-H264 PolarHBondContact O-N 3.21Å; H264-D266 VanDerWaalsContact C-N 3.33Å; H264-L267 PolarHBondContact O-N 2.98Å; H264-A268 WeakPolarHBondContact O-CB 3.47Å; H264-A268 PolarHBondContact O-N 3.06Å
265R97.9Very high96.8Very high8 Ų837.5 Ų37.53%0.0318%0.184CC..Hα-helixtrans-60.9-44.1173-175.8-71.4-55-94.70.5110.3S210 V213 F259 S261 E262 A268 L269S210-R265 VanDerWaalsContact O-CB 3.28Å; S210-R265 WeakPolarHBondContact O-CB 2.94Å; S210-R265 WeakPolarHBondContact O-CG 3.35Å; S210-R265 PolarHBondContact O-NE 3.37Å; S210-R265 PolarHBondContact O-NH1 2.88Å; S210-R265 VanDerWaalsContact O-NH1 3.17Å; V213-R265 HydrophobicContact CG1-CG 3.64Å; F259-R265 HydrophobicContact CD2-CB 4.06Å; S261-R265 PolarHBondContact O-N 3.17Å; E262-R265 CarbonylContact O-C 3.48Å; E262-R265 WeakPolarHBondContact O-CA 3.33Å; E262-R265 VanDerWaalsContact O-CB 3.27Å; E262-R265 WeakPolarHBondContact O-CB 3.02Å; E262-R265 PolarHBondContact O-N 3.24Å; E262-R265 IonicContact OE1-CZ 2.74Å; E262-R265 IonicContact OE1-NH2 3.72Å; E262-R265 PolarHBondContact OE1-NH2 3.14Å; R265-A268 VanDerWaalsContact O-CB 3.3Å; R265-A268 WeakPolarHBondContact O-CB 3.49Å; R265-A268 PolarHBondContact O-N 2.85Å; R265-A268 VanDerWaalsContact O-N 3.16Å; R265-L269 WeakPolarHBondContact O-CG 3.3Å; R265-L269 PolarHBondContact O-N 3.32Å; R265-L269 VanDerWaalsContact O-N 3.07Å
266D96.9Very high96.6Very high59 Ų5938.5 Ų38.532%0.31619%0.189SC..Hα-helixtrans-67.5-40.5-179.8-72.3-17.7000112.4E262 E263 H264 A268 L269 Q270E262-D266 PolarHBondContact O-N 2.84Å; E263-D266 PolarHBondContact O-N 3.21Å; H264-D266 VanDerWaalsContact C-N 3.33Å; D266-A268 VanDerWaalsContact C-N 3.27Å; D266-A268 PolarHBondContact O-N 3.19Å; D266-L269 WeakPolarHBondContact O-CB 3.3Å; D266-L269 PolarHBondContact O-N 2.97Å; D266-Q270 PolarHBondContact O-N 2.68Å
267L97.2Very high96.2Very high7 Ų741.6 Ų41.64%0.03722%0.221CC..Hα-helixtrans-61.6-36.1170-68.6179.6000112.3Q97 L98 R101 Q102 L234 E263 H264 L269 Q270Q97-L267 HydrophobicContact CG-CD1 4.13Å; L98-L267 HydrophobicContact CD2-CD2 3.36Å; R101-L267 HydrophobicContact CB-CD1 4.33Å; Q102-L267 HydrophobicContact CG-CD2 4.27Å; Q102-L267 PolarHBondContact NE2-O 2.95Å; L234-L267 HydrophobicContact CD1-CB 4.1Å; L234-L267 HydrophobicContact CD2-CB 3.62Å; L234-L267 HydrophobicContact CD2-CD1 3.64Å; L234-L267 HydrophobicContact CD2-CG 4.31Å; E263-L267 WeakPolarHBondContact O-CG 3.34Å; E263-L267 PolarHBondContact O-N 3.15Å; H264-L267 PolarHBondContact O-N 2.98Å; L267-L269 VanDerWaalsContact C-N 3.31Å; L267-L269 PolarHBondContact O-N 3.22Å; L267-Q270 WeakPolarHBondContact O-CB 3.42Å; L267-Q270 PolarHBondContact O-N 2.67Å
268A97.9Very high95.8Very high0 Ų048.2 Ų48.20%026%0.262CS..Hα-helixtrans-64.8-34.9175.700000112.2V213 F231 L234 F259 H264 R265 D266 Q270 R271V213-A268 HydrophobicContact CG1-CB 4.23Å; F231-A268 HydrophobicContact CD1-CB 3.8Å; F231-A268 HydrophobicContact CE1-CB 3.63Å; L234-A268 HydrophobicContact CD1-CB 3.73Å; F259-A268 HydrophobicContact CD2-CB 4.33Å; F259-A268 HydrophobicContact CE1-CB 4.13Å; F259-A268 HydrophobicContact CE2-CB 3.42Å; F259-A268 VanDerWaalsContact CE2-CB 3.42Å; F259-A268 HydrophobicContact CZ-CB 3.31Å; H264-A268 WeakPolarHBondContact O-CB 3.47Å; H264-A268 PolarHBondContact O-N 3.06Å; R265-A268 VanDerWaalsContact O-CB 3.3Å; R265-A268 WeakPolarHBondContact O-CB 3.49Å; R265-A268 PolarHBondContact O-N 2.85Å; R265-A268 VanDerWaalsContact O-N 3.16Å; D266-A268 VanDerWaalsContact C-N 3.27Å; D266-A268 PolarHBondContact O-N 3.19Å; A268-Q270 PolarHBondContact O-N 2.69Å; A268-R271 WeakPolarHBondContact O-CB 3.31Å; A268-R271 PolarHBondContact O-N 3.49Å
269L97.6Very high95.7Very high40 Ų4051.3 Ų51.321%0.20927%0.274CS..Hα-helixtrans-64.2-28.9175.3-64.7170000112.4V213 R265 D266 L267 R271 H272 V283 K285V213-L269 HydrophobicContact CG1-CD2 4.09Å; V213-L269 HydrophobicContact CG1-CG 4.4Å; R265-L269 WeakPolarHBondContact O-CG 3.3Å; R265-L269 PolarHBondContact O-N 3.32Å; R265-L269 VanDerWaalsContact O-N 3.07Å; D266-L269 WeakPolarHBondContact O-CB 3.3Å; D266-L269 PolarHBondContact O-N 2.97Å; L267-L269 VanDerWaalsContact C-N 3.31Å; L267-L269 PolarHBondContact O-N 3.22Å; L269-R271 PolarHBondContact O-N 2.83Å; L269-H272 WeakPolarHBondContact O-CB 3.42Å; L269-H272 PolarHBondContact O-N 3.44Å; L269-H272 VanDerWaalsContact O-N 3.16Å; L269-V283 HydrophobicContact CD2-CG1 4.21Å; L269-K285 HydrophobicContact CD1-CD 4.2Å; L269-K285 VanDerWaalsContact CD1-CE 3.43Å; L269-K285 HydrophobicContact CD1-CG 3.66Å; L269-K285 HydrophobicContact CD2-CG 4Å; L269-K285 HydrophobicContact CG-CG 4.48Å
270Q96.2Very high95.6Very high68 Ų6857 Ų5732%0.31830%0.296SS..THydrogen-bonded Turntrans-68.8-11.4175-59.7177.13.900113D266 L267 A268 H272D266-Q270 PolarHBondContact O-N 2.68Å; L267-Q270 WeakPolarHBondContact O-CB 3.42Å; L267-Q270 PolarHBondContact O-N 2.67Å; A268-Q270 PolarHBondContact O-N 2.69Å; Q270-H272 PolarHBondContact O-N 2.86Å
271R96.1Very high95.6Very high5 Ų553 Ų532%0.01927%0.272CS..THydrogen-bonded Turntrans-87.714.8172.4-54.8-165.2-175-176.53.2113.3R101 F230 K232 A268 L269 K273 H274R101-R271 PolarHBondContact O-NH2 3.38Å; F230-R271 HydrophobicContact CE1-CB 4.13Å; F230-R271 HydrophobicContact CZ-CB 4.09Å; F230-R271 PolarHBondContact O-NH1 3.3Å; K232-R271 PolarHBondContact O-NH1 3.34Å; K232-R271 PolarHBondContact O-NH2 3.45Å; A268-R271 WeakPolarHBondContact O-CB 3.31Å; A268-R271 PolarHBondContact O-N 3.49Å; L269-R271 PolarHBondContact O-N 2.83Å; R271-K273 PolarHBondContact O-N 3.33Å; R271-H274 HydrophobicContact CB-CB 4.21Å; R271-H274 WeakPolarHBondContact CB-ND1 3.47Å; R271-H274 VanDerWaalsContact O-CB 3.31Å; R271-H274 WeakPolarHBondContact O-CB 3.37Å; R271-H274 PolarHBondContact O-N 2.96Å
272H96.4Very high95.7Very high68 Ų6853.6 Ų53.632%0.31527%0.271SS..THydrogen-bonded Turntrans-60.4128.4175.2-17380000110.2L269 Q270 H274 V283 Y284L269-H272 WeakPolarHBondContact O-CB 3.42Å; L269-H272 PolarHBondContact O-N 3.44Å; L269-H272 VanDerWaalsContact O-N 3.16Å; Q270-H272 PolarHBondContact O-N 2.86Å; H272-H274 VanDerWaalsContact C-N 3.25Å; H272-H274 PolarHBondContact O-N 3.47Å; H272-V283 PolarHBondContact ND1-N 3.37Å; H272-V283 VanDerWaalsContact ND1-N 3.19Å; H272-V283 PolarHBondContact ND1-O 3.49Å; H272-Y284 AromaticContact CE1-CE1 3.82Å; H272-Y284 AromaticContact CE1-CZ 3.82Å
273K95.7Very high95.7Very high80 Ų8049.2 Ų49.235%0.34825%0.251SS..THydrogen-bonded Turntrans699-172.8-54.6-59.3-172.1174.70116R271 Y280 I281 E282R271-K273 PolarHBondContact O-N 3.33Å; K273-Y280 HydrophobicContact CD-CD2 3.61Å; K273-Y280 HydrophobicContact CD-CE2 4.06Å; K273-Y280 HydrophobicContact CD-CG 4.26Å; K273-I281 VanDerWaalsContact CA-O 3.31Å; K273-I281 WeakPolarHBondContact CA-O 3.05Å; K273-I281 PolarHBondContact N-O 2.88Å; K273-E282 HydrophobicContact CD-CG 4.32Å; K273-E282 IonicContact NZ-OE1 3.72Å; K273-E282 PolarHBondContact NZ-OE1 3.34Å
274H95.8Very high95.9Very high17 Ų1750.2 Ų50.28%0.07925%0.252CS..  trans-65.4156.9168.9-72-165.1000111.4G10 S11 E13 F230 R271 H272 Y280 I281G10-H274 PolarHBondContact O-CE1 3.34Å; S11-H274 PolarHBondContact O-NE2 3.26Å; E13-H274 VanDerWaalsContact CD-CA 3.45Å; E13-H274 HydrophobicContact CG-CB 4.01Å; E13-H274 WeakPolarHBondContact CG-CD2 3.42Å; E13-H274 VanDerWaalsContact CG-CG 3.42Å; E13-H274 WeakPolarHBondContact OE1-CB 3.47Å; E13-H274 IonicContact OE1-CG 2.71Å; E13-H274 VanDerWaalsContact OE2-CA 3.31Å; E13-H274 WeakPolarHBondContact OE2-CA 3.24Å; F230-H274 HydrophobicContact CE2-CB 3.64Å; F230-H274 HydrophobicContact CZ-CB 3.75Å; R271-H274 HydrophobicContact CB-CB 4.21Å; R271-H274 WeakPolarHBondContact CB-ND1 3.47Å; R271-H274 VanDerWaalsContact O-CB 3.31Å; R271-H274 WeakPolarHBondContact O-CB 3.37Å; R271-H274 PolarHBondContact O-N 2.96Å; H272-H274 VanDerWaalsContact C-N 3.25Å; H272-H274 PolarHBondContact O-N 3.47Å; H274-Y280 CarbonylContact O-C 3.52Å; H274-Y280 WeakPolarHBondContact O-CA 3.49Å; H274-I281 PolarHBondContact O-N 3.28Å
275H93.8Very high95.9Very high105 Ų10556.2 Ų56.249%0.48628%0.278SS..EExtended strand (participates in β ladder)trans-95.3132.1-173.1-69.476.1000113E13 R279E13-H275 PolarHBondContact OE1-N 3.27Å; E13-H275 IonicContact OE2-CE1 3.47Å; E13-H275 IonicContact OE2-CG 3.41Å; E13-H275 PolarHBondContact OE2-N 3.42Å; E13-H275 IonicContact OE2-ND1 2.7Å; E13-H275 PolarHBondContact OE2-ND1 3.23Å; H275-R279 WeakPolarHBondContact CA-O 3.37Å
276M92.8Very high95.8Very high21 Ų2156.2 Ų56.210%0.10328%0.28CS..EExtended strand (participates in β ladder)trans-11193.4163.9-173.2-172.4-73.300108.2P219 S222 D226 F230 T278 R279 I281P219-M276 HydrophobicContact CG-CG 4.47Å; P219-M276 HydrophobicContact CG-SD 4.34Å; S222-M276 PolarHBondContact OG-SD 3Å; D226-M276 HydrophobicContact CB-SD 4.38Å; F230-M276 HydrophobicContact CB-CE 3.37Å; F230-M276 HydrophobicContact CD2-CB 4.02Å; F230-M276 HydrophobicContact CD2-CE 4.12Å; F230-M276 HydrophobicContact CG-CE 3.77Å; M276-T278 PolarHBondContact O-N 3.25Å; M276-R279 PolarHBondContact N-O 3.27Å; M276-R279 PolarHBondContact O-N 3.27Å; M276-I281 HydrophobicContact CB-CD1 3.77Å; M276-I281 HydrophobicContact CB-CG1 3.61Å; M276-I281 HydrophobicContact CE-CG1 4.42Å; M276-I281 HydrophobicContact SD-CD1 4.47Å
277G88.8Confident95.8Very high69 Ų6955.6 Ų55.671%0.71128%0.278SS*.THydrogen-bonded Turntrans64.7-124.7-169.900000110.7R279G277-R279 VanDerWaalsContact C-N 3.28Å; G277-R279 PolarHBondContact O-N 3.48Å
278T89.6Confident95.6Very high139 Ų13955.3 Ų55.385%0.85328%0.277SS*.THydrogen-bonded Turntrans-87.79-178.557.90000114.1M276M276-T278 PolarHBondContact O-N 3.25Å
279R94.4Very high95.3Very high106 Ų10661 Ų6140%0.430%0.304SS..EExtended strand (participates in β ladder)trans-122.7124.8-171.4-63.4-73.8-67.9-131.9-6.6109.2G217 P219 H275 M276 G277G217-R279 PolarHBondContact O-NE 3.23Å; G217-R279 VanDerWaalsContact O-NE 3.1Å; G217-R279 PolarHBondContact O-NH2 3.21Å; G217-R279 VanDerWaalsContact O-NH2 3.13Å; P219-R279 HydrophobicContact CG-CB 4.3Å; P219-R279 HydrophobicContact CG-CG 4.03Å; H275-R279 WeakPolarHBondContact CA-O 3.37Å; M276-R279 PolarHBondContact N-O 3.27Å; M276-R279 PolarHBondContact O-N 3.27Å; G277-R279 VanDerWaalsContact C-N 3.28Å; G277-R279 PolarHBondContact O-N 3.48Å
280Y95.5Very high95.1Very high119 Ų11961.6 Ų61.647%0.46731%0.307SS..EExtended strand (participates in β ladder)trans-70.1145163.866.1-100.5000109.4K273 H274 E282K273-Y280 HydrophobicContact CD-CD2 3.61Å; K273-Y280 HydrophobicContact CD-CE2 4.06Å; K273-Y280 HydrophobicContact CD-CG 4.26Å; H274-Y280 CarbonylContact O-C 3.52Å; H274-Y280 WeakPolarHBondContact O-CA 3.49Å; Y280-E282 HydrophobicContact CD2-CG 4.11Å; Y280-E282 HydrophobicContact CE2-CG 3.9Å
281I98Very high95Very high0 Ų058.4 Ų58.40%029%0.292CS..  trans-108.6129.8179.3-55.3-50.6000109.2A215 R216 L218 F230 K273 H274 M276 V283A215-I281 HydrophobicContact CB-CG2 3.91Å; R216-I281 WeakPolarHBondContact O-CA 3.44Å; L218-I281 HydrophobicContact CG-CD1 4.44Å; F230-I281 HydrophobicContact CD2-CG1 4.09Å; F230-I281 HydrophobicContact CE1-CB 4.2Å; F230-I281 HydrophobicContact CE1-CG2 4.07Å; F230-I281 HydrophobicContact CE2-CB 3.83Å; F230-I281 HydrophobicContact CE2-CG1 3.68Å; F230-I281 HydrophobicContact CZ-CB 3.58Å; F230-I281 HydrophobicContact CZ-CG1 3.95Å; F230-I281 HydrophobicContact CZ-CG2 3.96Å; K273-I281 VanDerWaalsContact CA-O 3.31Å; K273-I281 WeakPolarHBondContact CA-O 3.05Å; K273-I281 PolarHBondContact N-O 2.88Å; H274-I281 PolarHBondContact O-N 3.28Å; M276-I281 HydrophobicContact CB-CD1 3.77Å; M276-I281 HydrophobicContact CB-CG1 3.61Å; M276-I281 HydrophobicContact CE-CG1 4.42Å; M276-I281 HydrophobicContact SD-CD1 4.47Å; I281-V283 HydrophobicContact CG2-CG2 4.24Å
282E98.2Very high94.8Very high44 Ų4459.8 Ų59.821%0.20630%0.3CS..EExtended strand (participates in β ladder)trans-92.7119.4173-56-179.7131.800108.9A215 R216 K273 Y280 Y284A215-E282 CarbonylContact C-O 3.58Å; A215-E282 WeakPolarHBondContact CA-O 3.38Å; R216-E282 HydrophobicContact CB-CB 4.28Å; R216-E282 PolarHBondContact N-O 2.73Å; R216-E282 PolarHBondContact O-N 2.82Å; K273-E282 HydrophobicContact CD-CG 4.32Å; K273-E282 IonicContact NZ-OE1 3.72Å; K273-E282 PolarHBondContact NZ-OE1 3.34Å; Y280-E282 HydrophobicContact CD2-CG 4.11Å; Y280-E282 HydrophobicContact CE2-CG 3.9Å; E282-Y284 HydrophobicContact CB-CD2 4.32Å; E282-Y284 HydrophobicContact CB-CE2 3.49Å; E282-Y284 VanDerWaalsContact CB-CE2 3.49Å
283V98.3Very high94.4Very high4 Ų462.5 Ų62.52%0.02431%0.311CS..EExtended strand (participates in β ladder)trans-106.1128.4177.5-1660000109V213 R214 F230 F231 L269 H272 I281V213-V283 HydrophobicContact CB-CG1 3.79Å; V213-V283 HydrophobicContact CG1-CG1 4.04Å; V213-V283 HydrophobicContact CG2-CG1 3.91Å; R214-V283 WeakPolarHBondContact O-CA 3.33Å; F230-V283 HydrophobicContact CE1-CG2 4.06Å; F230-V283 HydrophobicContact CZ-CG2 4.41Å; F231-V283 HydrophobicContact CE1-CG1 4.33Å; F231-V283 HydrophobicContact CE1-CG2 4.23Å; F231-V283 HydrophobicContact CZ-CG1 4.16Å; F231-V283 HydrophobicContact CZ-CG2 4.06Å; L269-V283 HydrophobicContact CD2-CG1 4.21Å; H272-V283 PolarHBondContact ND1-N 3.37Å; H272-V283 VanDerWaalsContact ND1-N 3.19Å; H272-V283 PolarHBondContact ND1-O 3.49Å; I281-V283 HydrophobicContact CG2-CG2 4.24Å
284Y98.1Very high94.1Very high89 Ų8960.6 Ų60.635%0.34930%0.304SS..EExtended strand (participates in β ladder)trans-132.6156.8179.1-59.7-70.5000110.9V213 R214 H272 E282V213-Y284 CarbonylContact C-O 3.46Å; V213-Y284 WeakPolarHBondContact CA-O 3.49Å; V213-Y284 WeakPolarHBondContact CB-O 3.25Å; R214-Y284 PolarHBondContact N-O 2.91Å; R214-Y284 PolarHBondContact O-N 2.76Å; H272-Y284 AromaticContact CE1-CE1 3.82Å; H272-Y284 AromaticContact CE1-CZ 3.82Å; E282-Y284 HydrophobicContact CB-CD2 4.32Å; E282-Y284 HydrophobicContact CB-CE2 3.49Å; E282-Y284 VanDerWaalsContact CB-CE2 3.49Å
285K97.8Very high93.7Very high132 Ų13260 Ų6057%0.57430%0.302SS*.EExtended strand (participates in β ladder)trans-62.4144.8168.8-66.3-172.9177-166.30110.2L269L269-K285 HydrophobicContact CD1-CD 4.2Å; L269-K285 VanDerWaalsContact CD1-CE 3.43Å; L269-K285 HydrophobicContact CD1-CG 3.66Å; L269-K285 HydrophobicContact CD2-CG 4Å; L269-K285 HydrophobicContact CG-CG 4.48Å
286A97.3Very high93.1Very high9 Ų955.4 Ų55.47%0.07428%0.283CS..EExtended strand (participates in β ladder)trans-142.2169.9173.200000109.6D209 V212 R214 L256D209-A286 VanDerWaalsContact O-O 3.09Å; V212-A286 HydrophobicContact CB-CB 4.44Å; V212-A286 HydrophobicContact CG1-CB 3.95Å; V212-A286 PolarHBondContact O-N 3.49Å; V212-A286 VanDerWaalsContact O-N 3.11Å; R214-A286 HydrophobicContact CB-CB 4.04Å; L256-A286 HydrophobicContact CD2-CB 3.58Å
287T95.8Very high92.2Very high45 Ų4554.9 Ų54.928%0.27628%0.283SS..  trans-100.6161-178.7630000112D209 E289 D290 F291D209-T287 HydrophobicContact CB-CG2 4.49Å; D209-T287 WeakPolarHBondContact OD1-CA 3.07Å; D209-T287 WeakPolarHBondContact OD1-CB 3.31Å; T287-E289 PolarHBondContact O-N 2.66Å; T287-D290 PolarHBondContact O-N 2.75Å; T287-D290 VanDerWaalsContact OG1-CG 3.25Å; T287-D290 PolarHBondContact OG1-N 2.97Å; T287-D290 VanDerWaalsContact OG1-N 3.1Å; T287-D290 PolarHBondContact OG1-OD2 2.9Å; T287-F291 PolarHBondContact O-N 2.57Å; T287-F291 VanDerWaalsContact O-N 3.17Å
288G93.4Very high91Very high1 Ų156.1 Ų56.11%0.0128%0.277CS..Hα-helixtrans-60.6-36.116900000111.7D209 D290 F291 L292D209-G288 PolarHBondContact OD1-N 3.5Å; G288-D290 PolarHBondContact O-N 3.3Å; G288-F291 WeakPolarHBondContact O-CB 3.47Å; G288-F291 PolarHBondContact O-N 2.81Å; G288-L292 WeakPolarHBondContact O-CG 3.31Å; G288-L292 PolarHBondContact O-N 2.78Å
289E92.8Very high90.1Very high121 Ų12151.3 Ų51.357%0.56525%0.249SC*.Hα-helixtrans-61.7-43.3174.8-162.8-162.415200111.9T287 F291 L292 K293T287-E289 PolarHBondContact O-N 2.66Å; E289-F291 VanDerWaalsContact C-N 3.29Å; E289-F291 PolarHBondContact O-N 2.88Å; E289-L292 PolarHBondContact O-N 3.24Å; E289-K293 VanDerWaalsContact CD-NZ 3.27Å; E289-K293 VanDerWaalsContact O-CG 3.31Å; E289-K293 WeakPolarHBondContact O-CG 3.43Å; E289-K293 PolarHBondContact O-N 3.17Å; E289-K293 WeakPolarHBondContact OE1-CE 3.46Å; E289-K293 IonicContact OE1-NZ 3.49Å; E289-K293 PolarHBondContact OE1-NZ 3.11Å; E289-K293 IonicContact OE2-NZ 2.73Å
290D92.8Very high89.2Confident52 Ų5252.9 Ų52.928%0.27827%0.265SS..Hα-helixtrans-59.9-43174.9-74.9-18.1000110.9L256 T287 G288 K293L256-D290 VanDerWaalsContact CD1-C 3.43Å; L256-D290 HydrophobicContact CD1-CB 4.06Å; L256-D290 WeakPolarHBondContact CD1-O 3.47Å; L256-D290 HydrophobicContact CD2-CB 4.39Å; T287-D290 PolarHBondContact O-N 2.75Å; T287-D290 VanDerWaalsContact OG1-CG 3.25Å; T287-D290 PolarHBondContact OG1-N 2.97Å; T287-D290 VanDerWaalsContact OG1-N 3.1Å; T287-D290 PolarHBondContact OG1-OD2 2.9Å; G288-D290 PolarHBondContact O-N 3.3Å; D290-K293 PolarHBondContact O-N 3.26Å; D290-K293 IonicContact OD1-NZ 3.3Å
291F93.8Very high88.4Confident1 Ų152.4 Ų52.40%0.00427%0.267CS..Hα-helixtrans-62-48176.8-171.9-87.5000111.4C201 I207 V212 A242 L256 R258 T287 G288 E289 K293 I294 A295C201-F291 HydrophobicContact CB-CE1 4.07Å; I207-F291 HydrophobicContact CD1-CB 4.32Å; I207-F291 HydrophobicContact CD1-CD1 3.35Å; I207-F291 HydrophobicContact CD1-CE1 4.01Å; I207-F291 HydrophobicContact CD1-CG 4.15Å; V212-F291 HydrophobicContact CG1-CB 4.07Å; V212-F291 HydrophobicContact CG1-CD2 4.27Å; V212-F291 HydrophobicContact CG2-CB 4.33Å; A242-F291 HydrophobicContact CB-CE2 3.96Å; A242-F291 HydrophobicContact CB-CZ 4.29Å; L256-F291 HydrophobicContact CB-CD2 3.8Å; L256-F291 HydrophobicContact CB-CE2 4.47Å; R258-F291 HydrophobicContact CB-CD2 4.11Å; R258-F291 HydrophobicContact CB-CE2 3.93Å; R258-F291 HydrophobicContact CB-CZ 4.21Å; T287-F291 PolarHBondContact O-N 2.57Å; T287-F291 VanDerWaalsContact O-N 3.17Å; G288-F291 WeakPolarHBondContact O-CB 3.47Å; G288-F291 PolarHBondContact O-N 2.81Å; E289-F291 VanDerWaalsContact C-N 3.29Å; E289-F291 PolarHBondContact O-N 2.88Å; F291-K293 VanDerWaalsContact C-N 3.32Å; F291-K293 PolarHBondContact O-N 2.83Å; F291-I294 PolarHBondContact O-N 3.47Å; F291-I294 VanDerWaalsContact O-N 3.09Å; F291-A295 HydrophobicContact CD1-CB 3.83Å; F291-A295 HydrophobicContact CE1-CB 3.4Å; F291-A295 VanDerWaalsContact CE1-CB 3.4Å; F291-A295 HydrophobicContact CE2-CB 4.47Å; F291-A295 HydrophobicContact CZ-CB 3.75Å; F291-A295 WeakPolarHBondContact O-CB 3.42Å; F291-A295 PolarHBondContact O-N 2.81Å
292L91.6Very high87.4Confident33 Ų3352.4 Ų52.417%0.17327%0.267CS..Hα-helixtrans-65-32.1-179.8-70.5172.3000113S202 E205 I207 G288 E289 I294 G296S202-L292 WeakPolarHBondContact O-CD2 3.44Å; E205-L292 WeakPolarHBondContact O-CD1 3.39Å; I207-L292 HydrophobicContact CD1-CD1 4.47Å; I207-L292 HydrophobicContact CD1-CD2 3.6Å; I207-L292 HydrophobicContact CD1-CG 3.74Å; I207-L292 HydrophobicContact CG1-CD1 4.49Å; I207-L292 HydrophobicContact CG1-CD2 4.21Å; I207-L292 HydrophobicContact CG1-CG 4.27Å; G288-L292 WeakPolarHBondContact O-CG 3.31Å; G288-L292 PolarHBondContact O-N 2.78Å; E289-L292 PolarHBondContact O-N 3.24Å; L292-I294 PolarHBondContact O-N 3.37Å; L292-G296 WeakPolarHBondContact O-CA 3.41Å; L292-G296 PolarHBondContact O-N 3.08Å
293K88.8Confident86.5Confident126 Ų12653 Ų5355%0.54828%0.279SS..Hα-helixtrans-60-30.6173.5-76.9166.4-175.9156.60112.5E289 D290 F291E289-K293 VanDerWaalsContact CD-NZ 3.27Å; E289-K293 VanDerWaalsContact O-CG 3.31Å; E289-K293 WeakPolarHBondContact O-CG 3.43Å; E289-K293 PolarHBondContact O-N 3.17Å; E289-K293 WeakPolarHBondContact OE1-CE 3.46Å; E289-K293 IonicContact OE1-NZ 3.49Å; E289-K293 PolarHBondContact OE1-NZ 3.11Å; E289-K293 IonicContact OE2-NZ 2.73Å; D290-K293 PolarHBondContact O-N 3.26Å; D290-K293 IonicContact OD1-NZ 3.3Å; F291-K293 VanDerWaalsContact C-N 3.32Å; F291-K293 PolarHBondContact O-N 2.83Å
294I88.7Confident85.8Confident40 Ų4059.7 Ų59.721%0.20531%0.311CS..Hα-helixtrans-98.1-43.4-177-58.6-55.3000111.7A242 L256 F291 L292 Q397A242-I294 HydrophobicContact CB-CG2 3.89Å; L256-I294 HydrophobicContact CD1-CB 4.24Å; L256-I294 HydrophobicContact CD1-CG1 3.73Å; F291-I294 PolarHBondContact O-N 3.47Å; F291-I294 VanDerWaalsContact O-N 3.09Å; L292-I294 PolarHBondContact O-N 3.37Å; I294-Q397 HydrophobicContact CG2-CG 4.39Å; I294-Q397 VanDerWaalsContact O-CG 3.31Å; I294-Q397 WeakPolarHBondContact O-CG 2.97Å
295A87.1Confident85.1Confident4 Ų456.3 Ų56.33%0.03330%0.298CS..Hα-helixtrans-102.3-19.7-172.300000114.3C201 A242 F291 G297 A393C201-A295 HydrophobicContact CB-CB 4.12Å; A242-A295 HydrophobicContact CB-CB 3.89Å; F291-A295 HydrophobicContact CD1-CB 3.83Å; F291-A295 HydrophobicContact CE1-CB 3.4Å; F291-A295 VanDerWaalsContact CE1-CB 3.4Å; F291-A295 HydrophobicContact CE2-CB 4.47Å; F291-A295 HydrophobicContact CZ-CB 3.75Å; F291-A295 WeakPolarHBondContact O-CB 3.42Å; F291-A295 PolarHBondContact O-N 2.81Å; A295-G297 PolarHBondContact O-N 3Å; A295-A393 HydrophobicContact CB-CB 4Å
296G82.8Confident84.4Confident9 Ų951.4 Ų51.49%0.09328%0.277CS..EExtended strand (participates in β ladder)trans-71.6108.6-175.400000111.7L292L292-G296 WeakPolarHBondContact O-CA 3.41Å; L292-G296 PolarHBondContact O-N 3.08Å
297G71.9Confident83.4Confident10 Ų1054.7 Ų54.710%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-100.2150.1176.900000113.5C201 K203 A295C201-G297 PolarHBondContact O-N 3.08Å; C201-G297 VanDerWaalsContact O-N 3.11Å; K203-G297 PolarHBondContact N-O 3.28Å; A295-G297 PolarHBondContact O-N 3Å
298T64.2Low82.3Confident95 Ų9557.7 Ų57.758%0.58331%0.309SS*.  trans-134.9-2.1169.258.40000113.9K203 N300K203-T298 HydrophobicContact CB-CG2 3.47Å; K203-T298 VanDerWaalsContact CB-CG2 3.47Å; K203-T298 HydrophobicContact CD-CG2 3.64Å; K203-T298 HydrophobicContact CG-CG2 4.17Å; T298-N300 PolarHBondContact O-N 3.16Å
299S71.4Confident81.1Confident37 Ų3764.2 Ų64.226%0.25934%0.339SS..  trans-77.2124.2-176.1179.30000111.5E301 V302 A303S299-E301 VanDerWaalsContact C-N 3.28Å; S299-E301 PolarHBondContact O-N 3.45Å; S299-E301 PolarHBondContact OG-N 3.32Å; S299-V302 PolarHBondContact O-N 3.22Å; S299-A303 PolarHBondContact O-N 3.32Å
300N75.8Confident80.1Confident140 Ų14064.8 Ų64.875%0.74935%0.346SS*.Hα-helixtrans-59.6-37175.9-76.4-14.3000112.4T298 V302 A303 Q304T298-N300 PolarHBondContact O-N 3.16Å; N300-V302 VanDerWaalsContact C-N 3.33Å; N300-V302 PolarHBondContact O-N 3.5Å; N300-A303 PolarHBondContact O-N 3.16Å; N300-Q304 WeakPolarHBondContact O-CB 3.42Å; N300-Q304 PolarHBondContact O-N 3.11Å
301E77.2Confident79.7Confident109 Ų10963.9 Ų63.951%0.50934%0.34SS..Hα-helixtrans-62.4-42.7177-177.8-179.3-160.200111S299 Q304 F305 L346S299-E301 VanDerWaalsContact C-N 3.28Å; S299-E301 PolarHBondContact O-N 3.45Å; S299-E301 PolarHBondContact OG-N 3.32Å; E301-Q304 PolarHBondContact O-N 3.07Å; E301-F305 WeakPolarHBondContact O-CB 3.47Å; E301-F305 PolarHBondContact O-N 2.86Å; E301-L346 HydrophobicContact CG-CD1 4.15Å; E301-L346 WeakPolarHBondContact OE1-CD1 3.25Å
302V78.1Confident79.5Confident0 Ų064.6 Ų64.60%035%0.345CS..Hα-helixtrans-70.6-38.1177.1-173.30000111S299 N300 Q304 F305 L306 V395 Q396 L399S299-V302 PolarHBondContact O-N 3.22Å; N300-V302 VanDerWaalsContact C-N 3.33Å; N300-V302 PolarHBondContact O-N 3.5Å; V302-Q304 VanDerWaalsContact C-N 3.29Å; V302-Q304 PolarHBondContact O-N 3.36Å; V302-F305 PolarHBondContact O-N 2.88Å; V302-L306 HydrophobicContact CG1-CD1 3.45Å; V302-L306 VanDerWaalsContact CG1-CD1 3.45Å; V302-L306 HydrophobicContact CG1-CG 3.94Å; V302-L306 VanDerWaalsContact O-CB 3.24Å; V302-L306 WeakPolarHBondContact O-CB 3.43Å; V302-L306 VanDerWaalsContact O-CG 3.23Å; V302-L306 WeakPolarHBondContact O-CG 3.38Å; V302-L306 PolarHBondContact O-N 2.87Å; V302-V395 HydrophobicContact CG1-CB 4.47Å; V302-V395 HydrophobicContact CG1-CG1 3.77Å; V302-V395 HydrophobicContact CG2-CG1 4.4Å; V302-Q396 VanDerWaalsContact CB-NE2 3.27Å; V302-Q396 HydrophobicContact CG1-CG 3.99Å; V302-L399 HydrophobicContact CG2-CD1 3.24Å
303A79.4Confident79.5Confident55 Ų5563.8 Ų63.846%0.45534%0.34SS..Hα-helixtrans-61.2-40.1173.800000111.3S299 N300 L306 S307S299-A303 PolarHBondContact O-N 3.32Å; N300-A303 PolarHBondContact O-N 3.16Å; A303-L306 CarbonylContact O-C 3.57Å; A303-S307 WeakPolarHBondContact O-CA 3.39Å; A303-S307 VanDerWaalsContact O-CB 3.28Å; A303-S307 WeakPolarHBondContact O-CB 3.32Å; A303-S307 PolarHBondContact O-N 3.5Å
304Q82.3Confident79.8Confident146 Ų14657.8 Ų57.868%0.68231%0.314SS*.Hα-helixtrans-68.1-44.8176-173.6176.4-4.600111.8N300 E301 V302 L306 S307N300-Q304 WeakPolarHBondContact O-CB 3.42Å; N300-Q304 PolarHBondContact O-N 3.11Å; E301-Q304 PolarHBondContact O-N 3.07Å; V302-Q304 VanDerWaalsContact C-N 3.29Å; V302-Q304 PolarHBondContact O-N 3.36Å; Q304-L306 VanDerWaalsContact C-N 3.32Å; Q304-L306 PolarHBondContact O-N 3.33Å; Q304-S307 VanDerWaalsContact O-CB 3.32Å; Q304-S307 WeakPolarHBondContact O-CB 3.2Å; Q304-S307 PolarHBondContact O-N 3.47Å; Q304-S307 PolarHBondContact O-OG 3.4Å
305F83.9Confident80Confident18 Ų1856 Ų568%0.07931%0.305CS..Hα-helixtrans-61-41.3176179.9-106.5000111.9E301 V302 I313 L346 F360 L362 V395E301-F305 WeakPolarHBondContact O-CB 3.47Å; E301-F305 PolarHBondContact O-N 2.86Å; V302-F305 PolarHBondContact O-N 2.88Å; F305-I313 HydrophobicContact CE1-CG2 4.49Å; F305-L346 HydrophobicContact CB-CD2 4.13Å; F305-L346 HydrophobicContact CD1-CB 4.46Å; F305-L346 HydrophobicContact CD1-CD2 3.82Å; F305-L346 HydrophobicContact CD2-CB 3.63Å; F305-L346 HydrophobicContact CD2-CD2 4.15Å; F305-L346 HydrophobicContact CD2-CG 4.44Å; F305-L346 HydrophobicContact CE1-CB 4.33Å; F305-L346 HydrophobicContact CE1-CD2 4.22Å; F305-L346 HydrophobicContact CE2-CB 3.45Å; F305-L346 VanDerWaalsContact CE2-CB 3.45Å; F305-L346 HydrophobicContact CG-CB 4.14Å; F305-L346 HydrophobicContact CG-CD2 3.78Å; F305-L346 HydrophobicContact CZ-CB 3.82Å; F305-F360 HydrophobicContact CE1-CB 3.93Å; F305-F360 HydrophobicContact CZ-CB 3.73Å; F305-L362 HydrophobicContact CD1-CD1 4.31Å; F305-L362 HydrophobicContact CD1-CD2 4.42Å; F305-L362 HydrophobicContact CD2-CD1 3.54Å; F305-L362 HydrophobicContact CD2-CG 4.26Å; F305-L362 HydrophobicContact CE1-CD1 4.11Å; F305-L362 HydrophobicContact CE1-CD2 3.74Å; F305-L362 HydrophobicContact CE1-CG 3.94Å; F305-L362 HydrophobicContact CE2-CD1 3.3Å; F305-L362 HydrophobicContact CE2-CD2 4.29Å; F305-L362 HydrophobicContact CE2-CG 3.55Å; F305-L362 HydrophobicContact CG-CD1 4.06Å; F305-L362 HydrophobicContact CZ-CD1 3.63Å; F305-L362 HydrophobicContact CZ-CD2 3.69Å; F305-L362 HydrophobicContact CZ-CG 3.37Å; F305-L362 VanDerWaalsContact O-CD1 3.29Å; F305-L362 WeakPolarHBondContact O-CD1 3.39Å; F305-V395 HydrophobicContact CD1-CG1 4.38Å; F305-V395 HydrophobicContact CE1-CG2 4.39Å
306L82.5Confident80.4Confident28 Ų2855.9 Ų55.915%0.14730%0.304CS..THydrogen-bonded Turntrans-91.88.1-179.3-57.8179.4000113.6T200 V302 A303 Q304 K308 I313 A392T200-L306 HydrophobicContact CG2-CB 3.77Å; T200-L306 HydrophobicContact CG2-CD1 3.39Å; T200-L306 HydrophobicContact CG2-CG 4.23Å; V302-L306 HydrophobicContact CG1-CD1 3.45Å; V302-L306 VanDerWaalsContact CG1-CD1 3.45Å; V302-L306 HydrophobicContact CG1-CG 3.94Å; V302-L306 VanDerWaalsContact O-CB 3.24Å; V302-L306 WeakPolarHBondContact O-CB 3.43Å; V302-L306 VanDerWaalsContact O-CG 3.23Å; V302-L306 WeakPolarHBondContact O-CG 3.38Å; V302-L306 PolarHBondContact O-N 2.87Å; A303-L306 CarbonylContact O-C 3.57Å; Q304-L306 VanDerWaalsContact C-N 3.32Å; Q304-L306 PolarHBondContact O-N 3.33Å; L306-K308 PolarHBondContact O-N 3.2Å; L306-I313 HydrophobicContact CD2-CD1 3.55Å; L306-I313 HydrophobicContact CD2-CG1 4.29Å; L306-A392 HydrophobicContact CD1-CB 3.64Å
307S77.9Confident81Confident78 Ų7857 Ų5755%0.54531%0.305SS..  trans-68.2-22.7-175.261.90000113.4A303 Q304A303-S307 WeakPolarHBondContact O-CA 3.39Å; A303-S307 VanDerWaalsContact O-CB 3.28Å; A303-S307 WeakPolarHBondContact O-CB 3.32Å; A303-S307 PolarHBondContact O-N 3.5Å; Q304-S307 VanDerWaalsContact O-CB 3.32Å; Q304-S307 WeakPolarHBondContact O-CB 3.2Å; Q304-S307 PolarHBondContact O-N 3.47Å; Q304-S307 PolarHBondContact O-OG 3.4Å
308K72.8Confident82Confident108 Ų10857.5 Ų57.547%0.4731%0.31SS..SBendtrans-87.5121.6-178.9-68.5179-178.3173.90109.7L306 Q311L306-K308 PolarHBondContact O-N 3.2Å; K308-Q311 VanDerWaalsContact CB-CD 3.41Å; K308-Q311 HydrophobicContact CB-CG 4.12Å; K308-Q311 VanDerWaalsContact CD-NE2 3.29Å
309E67.7Low83.5Confident139 Ų13953.2 Ų53.265%0.6528%0.284SS*.THydrogen-bonded Turntrans-70.3160.6177.6-60.3-156.8129.800112.5K238 Q311K238-E309 IonicContact NZ-OE1 3.86Å; K238-E309 PolarHBondContact NZ-OE1 3.11Å; E309-Q311 VanDerWaalsContact C-N 3.31Å; E309-Q311 PolarHBondContact O-N 3.2Å
310N70.6Confident84.6Confident132 Ų13252.7 Ų52.771%0.70628%0.28SS*.THydrogen-bonded Turntrans60.129.7175.4-61.3-37.4000116
311Q85Confident85.4Confident33 Ų3353.3 Ų53.315%0.15428%0.276CS..  trans-98.8149.3176.7-62-169.7-24.100112.8K308 E309 L362 F363K308-Q311 VanDerWaalsContact CB-CD 3.41Å; K308-Q311 HydrophobicContact CB-CG 4.12Å; K308-Q311 VanDerWaalsContact CD-NE2 3.29Å; E309-Q311 VanDerWaalsContact C-N 3.31Å; E309-Q311 PolarHBondContact O-N 3.2Å; Q311-L362 HydrophobicContact CB-CD2 4.23Å; Q311-L362 VanDerWaalsContact OE1-CD1 3.23Å; Q311-F363 WeakPolarHBondContact CA-O 3.48Å
312V89Confident86.2Confident17 Ų1753.8 Ų53.810%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-105.5127.3173.7-173.90000109F363 A369V312-F363 PolarHBondContact N-O 2.79Å; V312-F363 PolarHBondContact O-N 2.83Å; V312-A369 HydrophobicContact CB-CB 3.71Å; V312-A369 HydrophobicContact CG1-CB 3.35Å; V312-A369 HydrophobicContact CG2-CB 4.44Å
313I92.6Very high87Confident15 Ų1554.6 Ų54.68%0.07729%0.293CS..EExtended strand (participates in β ladder)trans-96.6131.8-177-49.2163000108.5F305 L306 F360 V361 L362 S390 V395F305-I313 HydrophobicContact CE1-CG2 4.49Å; L306-I313 HydrophobicContact CD2-CD1 3.55Å; L306-I313 HydrophobicContact CD2-CG1 4.29Å; I313-F360 HydrophobicContact CG2-CB 4.17Å; I313-F360 HydrophobicContact CG2-CD1 3.9Å; I313-F360 HydrophobicContact CG2-CG 4.47Å; I313-V361 WeakPolarHBondContact CA-O 3.47Å; I313-L362 HydrophobicContact CG1-CD2 3.82Å; I313-S390 PolarHBondContact O-N 2.9Å; I313-V395 HydrophobicContact CD1-CG2 4.19Å; I313-V395 HydrophobicContact CG2-CG2 3.94Å
314V94.3Very high87.7Confident0 Ų054.7 Ų54.70%029%0.288CS..EExtended strand (participates in β ladder)trans-120.1129.6169.2177.50000108.7F360 V361 F363 A369 L373 L387 F388V314-F360 CarbonylContact O-C 3.57Å; V314-F360 WeakPolarHBondContact O-CA 3.41Å; V314-V361 PolarHBondContact N-O 2.87Å; V314-V361 PolarHBondContact O-N 3.13Å; V314-F363 HydrophobicContact CB-CD2 4.3Å; V314-F363 HydrophobicContact CB-CE2 3.82Å; V314-F363 HydrophobicContact CG2-CD2 3.75Å; V314-F363 HydrophobicContact CG2-CE2 3.62Å; V314-A369 HydrophobicContact CG2-CB 4.2Å; V314-L373 HydrophobicContact CG1-CD2 4.01Å; V314-L373 HydrophobicContact CG2-CD2 4.38Å; V314-L373 HydrophobicContact CG2-CG 4.49Å; V314-L387 HydrophobicContact CG1-CB 4.22Å; V314-L387 HydrophobicContact CG1-CD2 4.29Å; V314-F388 CarbonylContact C-O 3.58Å; V314-F388 WeakPolarHBondContact CA-O 3.17Å; V314-F388 WeakPolarHBondContact CG1-O 3.45Å
315R94.3Very high88.3Confident4 Ų448.6 Ų48.62%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-88.9126.6172.3-174.8177174.3-170-2.6109.8G249 R317 D358 A359 F360 L387 F388 E394G249-R315 VanDerWaalsContact O-CZ 3.3Å; G249-R315 PolarHBondContact O-NH1 2.83Å; G249-R315 PolarHBondContact O-NH2 3.11Å; R315-R317 HydrophobicContact CG-CG 4.17Å; R315-D358 IonicContact CZ-OD2 3.67Å; R315-D358 IonicContact NE-OD2 3.45Å; R315-D358 PolarHBondContact NE-OD2 2.96Å; R315-D358 IonicContact NH2-OD2 3.19Å; R315-D358 PolarHBondContact NH2-OD2 3.5Å; R315-A359 CarbonylContact C-O 3.6Å; R315-A359 WeakPolarHBondContact CA-O 3.29Å; R315-F360 HydrophobicContact CB-CD1 3.8Å; R315-F360 HydrophobicContact CB-CE1 3.67Å; R315-F360 HydrophobicContact CG-CD1 4.03Å; R315-F360 HydrophobicContact CG-CE1 3.64Å; R315-F360 HydrophobicContact CG-CZ 4.1Å; R315-L387 WeakPolarHBondContact O-CA 3.5Å; R315-F388 PolarHBondContact N-O 2.97Å; R315-F388 PolarHBondContact O-N 3.07Å; R315-E394 VanDerWaalsContact CD-OE1 3.32Å; R315-E394 WeakPolarHBondContact CD-OE1 3.43Å; R315-E394 IonicContact CZ-OE1 3.57Å; R315-E394 IonicContact NH1-OE1 2.69Å; R315-E394 PolarHBondContact NH1-OE1 3.45Å
316M95.8Very high88.9Confident0 Ų052.3 Ų52.30%028%0.28CS..EExtended strand (participates in β ladder)trans-96.5137168.9-53.9-176.979.400109.5L319 V328 F331 F332 D358 A359 V361 I385 E386 L387M316-L319 HydrophobicContact CB-CD1 4.13Å; M316-L319 HydrophobicContact CB-CG 4.36Å; M316-L319 HydrophobicContact CE-CD2 3.93Å; M316-L319 HydrophobicContact SD-CD2 4.46Å; M316-V328 HydrophobicContact CE-CG1 4.14Å; M316-V328 HydrophobicContact SD-CG1 3.61Å; M316-V328 HydrophobicContact SD-CG2 4.42Å; M316-F331 HydrophobicContact CE-CD1 3.9Å; M316-F331 HydrophobicContact CE-CE1 4.07Å; M316-F332 HydrophobicContact CE-CE2 3.65Å; M316-F332 HydrophobicContact CE-CZ 3.75Å; M316-F332 HydrophobicContact CG-CE2 4.4Å; M316-F332 HydrophobicContact CG-CZ 4.17Å; M316-F332 HydrophobicContact SD-CE2 3.54Å; M316-F332 VanDerWaalsContact SD-CE2 3.54Å; M316-F332 HydrophobicContact SD-CZ 3.85Å; M316-D358 VanDerWaalsContact O-CA 3.31Å; M316-D358 WeakPolarHBondContact O-CA 3.24Å; M316-A359 HydrophobicContact CB-CB 4.44Å; M316-A359 PolarHBondContact N-O 3.39Å; M316-A359 PolarHBondContact O-N 3.47Å; M316-V361 HydrophobicContact CG-CG2 3.99Å; M316-V361 HydrophobicContact SD-CG2 3.55Å; M316-V361 VanDerWaalsContact SD-CG2 3.55Å; M316-I385 HydrophobicContact CB-CG2 4.22Å; M316-I385 HydrophobicContact CE-CG2 3.8Å; M316-E386 CarbonylContact C-O 3.59Å; M316-E386 WeakPolarHBondContact CA-O 3.33Å; M316-L387 HydrophobicContact CB-CD2 4.18Å; M316-L387 HydrophobicContact CE-CD2 4.14Å; M316-L387 HydrophobicContact CG-CD2 3.64Å
317R93.8Very high89.5Confident34 Ų3455 Ų5513%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-132.1146.8173.4-58.5-175.562.9-144.1-4.9111.1R315 G357 D358 E386 F388R315-R317 HydrophobicContact CG-CG 4.17Å; R317-G357 CarbonylContact C-O 3.6Å; R317-D358 WeakPolarHBondContact CG-OD1 3.33Å; R317-D358 IonicContact NE-OD1 3.65Å; R317-D358 IonicContact NE-OD2 2.69Å; R317-E386 HydrophobicContact CB-CB 4.3Å; R317-E386 PolarHBondContact N-O 3.37Å; R317-E386 IonicContact NH1-OE2 2.72Å; R317-E386 PolarHBondContact O-N 2.76Å; R317-F388 HydrophobicContact CG-CD2 4.45Å; R317-F388 HydrophobicContact CG-CE2 4.33Å
318G93.5Very high90.3Very high20 Ų2051.3 Ų51.321%0.20627%0.266CS..SBendtrans86.716.6177.500000114.4G357 R383G318-G357 PolarHBondContact N-O 3.5Å; G318-R383 WeakPolarHBondContact O-CB 3.36Å
319L95.8Very high91.5Very high5 Ų548.8 Ų48.83%0.02626%0.26CS..  trans-55.4138.2174.5-71.1166.2000110.5M316 A323 V328 F347 G357 A359 L380 I385M316-L319 HydrophobicContact CB-CD1 4.13Å; M316-L319 HydrophobicContact CB-CG 4.36Å; M316-L319 HydrophobicContact CE-CD2 3.93Å; M316-L319 HydrophobicContact SD-CD2 4.46Å; L319-A323 HydrophobicContact CB-CB 4.33Å; L319-A323 HydrophobicContact CD2-CB 4.42Å; L319-V328 HydrophobicContact CD2-CG2 4.16Å; L319-F347 HydrophobicContact CD1-CD1 4.39Å; L319-F347 HydrophobicContact CD1-CE1 4.07Å; L319-G357 WeakPolarHBondContact CB-O 3.39Å; L319-G357 PolarHBondContact N-O 3.45Å; L319-A359 HydrophobicContact CD1-CB 3.46Å; L319-A359 VanDerWaalsContact CD1-CB 3.46Å; L319-L380 HydrophobicContact CD2-CD1 3.91Å; L319-I385 HydrophobicContact CD2-CD1 3.97Å; L319-I385 HydrophobicContact CG-CD1 4.41Å
320P94.6Very high92.7Very high26 Ų2645.7 Ų45.717%0.16926%0.258CS..  trans-51.4142.1165.2-22.230.6000110.9T322 A323 L380 R383P320-T322 PolarHBondContact O-N 3.26Å; P320-T322 VanDerWaalsContact O-N 3.13Å; P320-A323 HydrophobicContact CB-CB 4.3Å; P320-A323 WeakPolarHBondContact O-CB 3.32Å; P320-A323 PolarHBondContact O-N 3.19Å; P320-L380 HydrophobicContact CG-CD2 3.83Å; P320-R383 HydrophobicContact CB-CG 4.46Å; P320-R383 HydrophobicContact CG-CB 4.1Å; P320-R383 HydrophobicContact CG-CG 3.85Å
321F93.1Very high93.9Very high152 Ų15240.3 Ų40.367%0.66723%0.228SC*.THydrogen-bonded Turntrans-66-14.3177.4-60.7-35.2000113.5P355F321-P355 HydrophobicContact CB-CG 3.77Å; F321-P355 HydrophobicContact CD1-CB 4.47Å; F321-P355 HydrophobicContact CD1-CG 4.17Å; F321-P355 HydrophobicContact CG-CG 4.27Å; F321-P355 VanDerWaalsContact O-CG 3.3Å; F321-P355 WeakPolarHBondContact O-CG 3.36Å
322T93.2Very high94.3Very high119 Ų11939 Ų3973%0.7322%0.222SC*.THydrogen-bonded Turntrans-97.14.817458.10000112.8P320 T324P320-T322 PolarHBondContact O-N 3.26Å; P320-T322 VanDerWaalsContact O-N 3.13Å; T322-T324 PolarHBondContact O-N 3.07Å
323A94.4Very high94.4Very high17 Ų1739.7 Ų39.714%0.1423%0.232CC..  trans-64.3132-17500000111.3L319 P320 E327 L380L319-A323 HydrophobicContact CB-CB 4.33Å; L319-A323 HydrophobicContact CD2-CB 4.42Å; P320-A323 HydrophobicContact CB-CB 4.3Å; P320-A323 WeakPolarHBondContact O-CB 3.32Å; P320-A323 PolarHBondContact O-N 3.19Å; A323-E327 VanDerWaalsContact CA-OE2 3.29Å; A323-E327 WeakPolarHBondContact CA-OE2 3.44Å; A323-L380 HydrophobicContact CB-CD2 4.38Å
324T95.2Very high94Very high57 Ų5748 Ų4835%0.3527%0.271SS..  trans-101.3161179.660.70000111.6T322 E326 E327 V328T322-T324 PolarHBondContact O-N 3.07Å; T324-E326 WeakPolarHBondContact CB-OE2 3.49Å; T324-E326 PolarHBondContact O-N 2.73Å; T324-E327 PolarHBondContact N-OE2 3.26Å; T324-E327 PolarHBondContact O-N 2.89Å; T324-E327 VanDerWaalsContact OG1-CG 3.27Å; T324-E327 WeakPolarHBondContact OG1-CG 3.01Å; T324-E327 PolarHBondContact OG1-N 2.88Å; T324-E327 PolarHBondContact OG1-OE2 3.31Å; T324-E327 VanDerWaalsContact OG1-OE2 3.08Å; T324-V328 PolarHBondContact O-N 3Å; T324-V328 VanDerWaalsContact O-N 3.15Å
325A95.2Very high93.4Very high19 Ų1955.5 Ų55.516%0.15731%0.305CS..Hα-helixtrans-60.5-35.8175.300000111.2V328 V329 K342 I345 F347A325-V328 PolarHBondContact O-N 3.49Å; A325-V329 VanDerWaalsContact O-CG2 3.3Å; A325-V329 WeakPolarHBondContact O-CG2 3.41Å; A325-V329 PolarHBondContact O-N 3.32Å; A325-K342 HydrophobicContact CB-CB 4.01Å; A325-K342 HydrophobicContact CB-CD 4.21Å; A325-K342 HydrophobicContact CB-CG 3.92Å; A325-I345 HydrophobicContact CB-CD1 4.17Å; A325-F347 HydrophobicContact CB-CE2 4.15Å
326E95.3Very high93.2Very high96 Ų9655.5 Ų55.545%0.44931%0.306SS..Hα-helixtrans-61.5-44.7176.3-65.573.6-166.900111.9T324 V328 V329 A330 K342T324-E326 WeakPolarHBondContact CB-OE2 3.49Å; T324-E326 PolarHBondContact O-N 2.73Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 3.47Å; E326-V329 PolarHBondContact O-N 2.88Å; E326-A330 WeakPolarHBondContact O-CB 3.26Å; E326-A330 PolarHBondContact O-N 3.15Å; E326-K342 WeakPolarHBondContact OE1-CE 3.32Å; E326-K342 IonicContact OE1-NZ 2.72Å; E326-K342 PolarHBondContact OE1-NZ 3.05Å
327E95.3Very high92.9Very high85 Ų8558 Ų5840%0.39732%0.322SS..Hα-helixtrans-65.7-36.2176.7-73.9168.8139.300111.9A323 T324 A330 F331 L380A323-E327 VanDerWaalsContact CA-OE2 3.29Å; A323-E327 WeakPolarHBondContact CA-OE2 3.44Å; T324-E327 PolarHBondContact N-OE2 3.26Å; T324-E327 PolarHBondContact O-N 2.89Å; T324-E327 VanDerWaalsContact OG1-CG 3.27Å; T324-E327 WeakPolarHBondContact OG1-CG 3.01Å; T324-E327 PolarHBondContact OG1-N 2.88Å; T324-E327 PolarHBondContact OG1-OE2 3.31Å; T324-E327 VanDerWaalsContact OG1-OE2 3.08Å; E327-A330 PolarHBondContact O-N 3.38Å; E327-F331 VanDerWaalsContact O-CB 3.3Å; E327-F331 WeakPolarHBondContact O-CB 3.48Å; E327-F331 PolarHBondContact O-N 3.15Å; E327-L380 HydrophobicContact CB-CD2 4.41Å
328V96.2Very high92.9Very high0 Ų057.1 Ų57.10%032%0.32CS..Hα-helixtrans-68.2-42.9175.2172.80000111.2M316 L319 T324 A325 E326 A330 F331 F332 I338 I345 F347 V361 L380M316-V328 HydrophobicContact CE-CG1 4.14Å; M316-V328 HydrophobicContact SD-CG1 3.61Å; M316-V328 HydrophobicContact SD-CG2 4.42Å; L319-V328 HydrophobicContact CD2-CG2 4.16Å; T324-V328 PolarHBondContact O-N 3Å; T324-V328 VanDerWaalsContact O-N 3.15Å; A325-V328 PolarHBondContact O-N 3.49Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 3.47Å; V328-A330 VanDerWaalsContact C-N 3.33Å; V328-A330 PolarHBondContact O-N 3.08Å; V328-F331 WeakPolarHBondContact O-CB 3.3Å; V328-F331 PolarHBondContact O-N 3.25Å; V328-F332 HydrophobicContact CG1-CD2 4.16Å; V328-F332 HydrophobicContact CG1-CE2 3.98Å; V328-F332 WeakPolarHBondContact O-CD2 3.27Å; V328-F332 PolarHBondContact O-N 3.49Å; V328-I338 HydrophobicContact CG1-CD1 4.16Å; V328-I345 HydrophobicContact CB-CD1 3.84Å; V328-I345 HydrophobicContact CG1-CD1 3.63Å; V328-I345 HydrophobicContact CG1-CG1 4.17Å; V328-I345 HydrophobicContact CG1-CG2 4.39Å; V328-F347 HydrophobicContact CG2-CE1 4.34Å; V328-F347 HydrophobicContact CG2-CZ 3.98Å; V328-V361 HydrophobicContact CG1-CG2 4.19Å; V328-L380 HydrophobicContact CG2-CD1 4.37Å
329V96.1Very high92.7Very high55 Ų5557.4 Ų57.433%0.33332%0.318SS..Hα-helixtrans-59.6-45.7172.8172.50000110.5A325 E326 F331 F332 G333 I338 K342 I345A325-V329 VanDerWaalsContact O-CG2 3.3Å; A325-V329 WeakPolarHBondContact O-CG2 3.41Å; A325-V329 PolarHBondContact O-N 3.32Å; E326-V329 PolarHBondContact O-N 2.88Å; V329-F331 PolarHBondContact O-N 2.97Å; V329-F332 PolarHBondContact O-N 3.06Å; V329-G333 PolarHBondContact O-N 3.5Å; V329-I338 HydrophobicContact CB-CD1 4.42Å; V329-I338 HydrophobicContact CG2-CD1 3.93Å; V329-K342 HydrophobicContact CG2-CG 4.4Å; V329-I345 HydrophobicContact CG2-CD1 3.91Å
330A94.4Very high92.3Very high73 Ų7359.5 Ų59.560%0.60334%0.341SS*.Hα-helixtrans-65.2-37.4178.800000112.5E326 E327 V328 G333E326-A330 WeakPolarHBondContact O-CB 3.26Å; E326-A330 PolarHBondContact O-N 3.15Å; E327-A330 PolarHBondContact O-N 3.38Å; V328-A330 VanDerWaalsContact C-N 3.33Å; V328-A330 PolarHBondContact O-N 3.08Å; A330-G333 PolarHBondContact O-N 3.26Å
331F94.9Very high92Very high20 Ų2059.6 Ų59.69%0.08835%0.346CS..Hα-helixtrans-57-52.1176.3173.2-95.9000110.9M316 E327 V328 V329 K375 E378 L380 I385 L387M316-F331 HydrophobicContact CE-CD1 3.9Å; M316-F331 HydrophobicContact CE-CE1 4.07Å; E327-F331 VanDerWaalsContact O-CB 3.3Å; E327-F331 WeakPolarHBondContact O-CB 3.48Å; E327-F331 PolarHBondContact O-N 3.15Å; V328-F331 WeakPolarHBondContact O-CB 3.3Å; V328-F331 PolarHBondContact O-N 3.25Å; V329-F331 PolarHBondContact O-N 2.97Å; F331-K375 HydrophobicContact CE1-CB 4.22Å; F331-K375 HydrophobicContact CE1-CD 4.37Å; F331-K375 HydrophobicContact CZ-CB 4.04Å; F331-K375 WeakPolarHBondContact O-CE 3.23Å; F331-K375 PolarHBondContact O-NZ 3.24Å; F331-E378 HydrophobicContact CE2-CB 3.79Å; F331-E378 HydrophobicContact CZ-CB 4.01Å; F331-L380 HydrophobicContact CB-CD1 3.95Å; F331-L380 HydrophobicContact CD2-CB 4.13Å; F331-L380 HydrophobicContact CD2-CD1 4.26Å; F331-L380 HydrophobicContact CD2-CG 4.45Å; F331-L380 HydrophobicContact CG-CD1 4.15Å; F331-I385 HydrophobicContact CE2-CG1 4.43Å; F331-I385 HydrophobicContact CZ-CB 4.25Å; F331-L387 HydrophobicContact CE1-CD1 4.08Å; F331-L387 HydrophobicContact CZ-CD1 4.42Å
332F94.6Very high91.9Very high5 Ų557.3 Ų57.32%0.02234%0.336CS..Hα-helixtrans-71.7-30.5178.3-70.8-64.6000113.3M316 V328 V329 C336 I338 V361 F363 A372 K375 L387M316-F332 HydrophobicContact CE-CE2 3.65Å; M316-F332 HydrophobicContact CE-CZ 3.75Å; M316-F332 HydrophobicContact CG-CE2 4.4Å; M316-F332 HydrophobicContact CG-CZ 4.17Å; M316-F332 HydrophobicContact SD-CE2 3.54Å; M316-F332 VanDerWaalsContact SD-CE2 3.54Å; M316-F332 HydrophobicContact SD-CZ 3.85Å; V328-F332 HydrophobicContact CG1-CD2 4.16Å; V328-F332 HydrophobicContact CG1-CE2 3.98Å; V328-F332 WeakPolarHBondContact O-CD2 3.27Å; V328-F332 PolarHBondContact O-N 3.49Å; V329-F332 PolarHBondContact O-N 3.06Å; F332-C336 HydrophobicContact CB-CB 4.14Å; F332-I338 HydrophobicContact CB-CG1 4.5Å; F332-I338 HydrophobicContact CD2-CD1 3.84Å; F332-I338 HydrophobicContact CD2-CG1 4.18Å; F332-V361 HydrophobicContact CD2-CG1 4.46Å; F332-V361 HydrophobicContact CE2-CB 4.39Å; F332-V361 HydrophobicContact CE2-CG1 4.14Å; F332-V361 HydrophobicContact CE2-CG2 4.05Å; F332-F363 HydrophobicContact CD1-CE1 4.49Å; F332-F363 AromaticContact CD1-CZ 3.96Å; F332-F363 HydrophobicContact CD1-CZ 3.96Å; F332-F363 HydrophobicContact CD2-CZ 4.25Å; F332-F363 HydrophobicContact CE1-CZ 4.02Å; F332-F363 HydrophobicContact CE2-CZ 4.27Å; F332-F363 HydrophobicContact CG-CE1 4.46Å; F332-F363 HydrophobicContact CG-CZ 4.09Å; F332-F363 HydrophobicContact CZ-CZ 4.15Å; F332-A372 HydrophobicContact CD1-CB 3.63Å; F332-A372 HydrophobicContact CE1-CB 3.55Å; F332-K375 HydrophobicContact CD1-CD 4.21Å; F332-L387 HydrophobicContact CE1-CD1 3.93Å; F332-L387 HydrophobicContact CE1-CD2 4.27Å; F332-L387 HydrophobicContact CZ-CD1 4.4Å; F332-L387 HydrophobicContact CZ-CD2 3.91Å
333G89.3Confident91.7Very high31 Ų3159.1 Ų59.132%0.3234%0.336SS..  trans65-170.1173.800000113.9V329 A330 H335 C336V329-G333 PolarHBondContact O-N 3.5Å; A330-G333 PolarHBondContact O-N 3.26Å; G333-H335 VanDerWaalsContact C-N 3.29Å; G333-H335 PolarHBondContact O-N 3.1Å; G333-C336 CarbonylContact O-C 3.52Å; G333-C336 PolarHBondContact O-N 2.79Å
334Q84.9Confident91.5Very high189 Ų18958.3 Ų58.388%0.88333%0.33SS*.THydrogen-bonded Turntrans-71.7-20.6-174.5-64.4-174.3700114.1C336Q334-C336 PolarHBondContact O-N 3.39Å
335H82.4Confident91.4Very high158 Ų15856.5 Ų56.573%0.73132%0.318SS*.THydrogen-bonded Turntrans-75.3-15.2-179.7-6192.8000113.1G333 N371G333-H335 VanDerWaalsContact C-N 3.29Å; G333-H335 PolarHBondContact O-N 3.1Å; H335-N371 PolarHBondContact O-ND2 3.29Å
336C88.8Confident91.3Very high4 Ų456.2 Ų56.23%0.02731%0.313CS..SBendtrans-140.468.2-178.4-49.40000109.4F332 G333 Q334 I338 F363 N371 A372F332-C336 HydrophobicContact CB-CB 4.14Å; G333-C336 CarbonylContact O-C 3.52Å; G333-C336 PolarHBondContact O-N 2.79Å; Q334-C336 PolarHBondContact O-N 3.39Å; C336-I338 PolarHBondContact O-N 3.38Å; C336-F363 HydrophobicContact CB-CE1 4.02Å; C336-N371 VanDerWaalsContact SG-C 3.55Å; C336-N371 WeakPolarHBondContact SG-CB 3.46Å; C336-A372 HydrophobicContact CB-CB 4.32Å; C336-A372 PolarHBondContact SG-N 3.42Å
337P90.3Very high91.3Very high52 Ų5254.5 Ų54.534%0.33831%0.305SS..PPolyproline II helixtrans-64.2126.8-175.326.8-34.2000111.2Y368P337-Y368 HydrophobicContact CG-CD1 4.43Å; P337-Y368 HydrophobicContact CG-CD2 3.71Å; P337-Y368 HydrophobicContact CG-CE1 4.19Å; P337-Y368 HydrophobicContact CG-CE2 3.44Å; P337-Y368 VanDerWaalsContact CG-CE2 3.44Å; P337-Y368 HydrophobicContact CG-CG 4.22Å
338I93Very high91.1Very high16 Ų1650.5 Ų50.58%0.08229%0.286CS..BIsolated β-bridgetrans-71.9133.7174.3-55.8177.7000109V328 V329 F332 C336 G340 G341 I345 V361 L362 F363V328-I338 HydrophobicContact CG1-CD1 4.16Å; V329-I338 HydrophobicContact CB-CD1 4.42Å; V329-I338 HydrophobicContact CG2-CD1 3.93Å; F332-I338 HydrophobicContact CB-CG1 4.5Å; F332-I338 HydrophobicContact CD2-CD1 3.84Å; F332-I338 HydrophobicContact CD2-CG1 4.18Å; C336-I338 PolarHBondContact O-N 3.38Å; I338-G340 PolarHBondContact O-N 2.77Å; I338-G340 VanDerWaalsContact O-N 3.15Å; I338-G341 WeakPolarHBondContact CG2-O 3.21Å; I338-G341 PolarHBondContact O-N 3.21Å; I338-I345 HydrophobicContact CD1-CD1 3.82Å; I338-I345 HydrophobicContact CD1-CG1 3.95Å; I338-I345 HydrophobicContact CG2-CG1 4.17Å; I338-V361 HydrophobicContact CB-CG1 4.21Å; I338-V361 HydrophobicContact CD1-CG1 3.72Å; I338-V361 HydrophobicContact CG1-CG1 3.68Å; I338-V361 HydrophobicContact CG2-CG1 3.6Å; I338-L362 WeakPolarHBondContact CG2-O 3.4Å; I338-F363 HydrophobicContact CG1-CE1 4.38Å
339T90.5Very high90.8Very high26 Ų2653.6 Ų53.616%0.1631%0.305CS..THydrogen-bonded Turntrans-65.7116-178.3-51.70000111.4G341 G344 L362 F363 A364T339-G341 VanDerWaalsContact C-N 3.26Å; T339-G344 WeakPolarHBondContact O-CA 3.45Å; T339-G344 PolarHBondContact O-N 2.76Å; T339-L362 PolarHBondContact N-O 3.44Å; T339-L362 PolarHBondContact OG1-O 2.99Å; T339-F363 WeakPolarHBondContact OG1-CA 3.43Å; T339-A364 WeakPolarHBondContact OG1-CA 3.26Å; T339-A364 PolarHBondContact OG1-N 2.91Å
340G85.8Confident90.5Very high49 Ų4955.4 Ų55.451%0.50531%0.307SS..THydrogen-bonded Turntrans75.313.9-176.200000113.8I338 K342 E343I338-G340 PolarHBondContact O-N 2.77Å; I338-G340 VanDerWaalsContact O-N 3.15Å; G340-K342 PolarHBondContact O-N 3.07Å; G340-E343 PolarHBondContact O-N 2.53Å
341G89.6Confident90.1Very high28 Ų2856.4 Ų56.429%0.28931%0.307SS..G310 helixtrans61.7-119.2178.700000111.7I338 T339 E343 G344I338-G341 WeakPolarHBondContact CG2-O 3.21Å; I338-G341 PolarHBondContact O-N 3.21Å; T339-G341 VanDerWaalsContact C-N 3.26Å; G341-E343 VanDerWaalsContact C-N 3.31Å; G341-E343 PolarHBondContact O-N 2.96Å; G341-G344 PolarHBondContact O-N 2.97Å
342K90.5Very high89.7Confident105 Ų10560 Ų6046%0.45733%0.327SS..G310 helixtrans-65.1-34-178.4-57.5179.2-165.1174.70112.7A325 E326 V329 G340 G344 I345A325-K342 HydrophobicContact CB-CB 4.01Å; A325-K342 HydrophobicContact CB-CD 4.21Å; A325-K342 HydrophobicContact CB-CG 3.92Å; E326-K342 WeakPolarHBondContact OE1-CE 3.32Å; E326-K342 IonicContact OE1-NZ 2.72Å; E326-K342 PolarHBondContact OE1-NZ 3.05Å; V329-K342 HydrophobicContact CG2-CG 4.4Å; G340-K342 PolarHBondContact O-N 3.07Å; K342-G344 PolarHBondContact O-N 3.43Å; K342-I345 WeakPolarHBondContact O-CB 3.24Å; K342-I345 PolarHBondContact O-N 2.81Å; K342-I345 VanDerWaalsContact O-N 3.08Å
343E88.1Confident89.4Confident156 Ų15662.1 Ų62.173%0.72935%0.35SS*.G310 helixtrans-67.4-16.2177.9-57.8-56.9126.600112.7G340 G341 I345G340-E343 PolarHBondContact O-N 2.53Å; G341-E343 VanDerWaalsContact C-N 3.31Å; G341-E343 PolarHBondContact O-N 2.96Å; E343-I345 VanDerWaalsContact C-N 3.26Å
344G90.3Very high89.5Confident1 Ų167.9 Ų67.91%0.0136%0.363CS..G310 helixtrans-854.8174.400000114.1T339 G341 K342 V361 L362T339-G344 WeakPolarHBondContact O-CA 3.45Å; T339-G344 PolarHBondContact O-N 2.76Å; G341-G344 PolarHBondContact O-N 2.97Å; K342-G344 PolarHBondContact O-N 3.43Å; G344-V361 WeakPolarHBondContact O-CA 3.19Å; G344-L362 PolarHBondContact O-N 2.86Å
345I94.3Very high89.8Confident18 Ų1861.4 Ų61.49%0.09234%0.337CS..EExtended strand (participates in β ladder)trans-115.4123.9-177.3-54.3168.4000109A325 V328 V329 I338 K342 E343 F347 F360 V361A325-I345 HydrophobicContact CB-CD1 4.17Å; V328-I345 HydrophobicContact CB-CD1 3.84Å; V328-I345 HydrophobicContact CG1-CD1 3.63Å; V328-I345 HydrophobicContact CG1-CG1 4.17Å; V328-I345 HydrophobicContact CG1-CG2 4.39Å; V329-I345 HydrophobicContact CG2-CD1 3.91Å; I338-I345 HydrophobicContact CD1-CD1 3.82Å; I338-I345 HydrophobicContact CD1-CG1 3.95Å; I338-I345 HydrophobicContact CG2-CG1 4.17Å; K342-I345 WeakPolarHBondContact O-CB 3.24Å; K342-I345 PolarHBondContact O-N 2.81Å; K342-I345 VanDerWaalsContact O-N 3.08Å; E343-I345 VanDerWaalsContact C-N 3.26Å; I345-F347 HydrophobicContact CG2-CD2 3.97Å; I345-F347 HydrophobicContact CG2-CE2 3.66Å; I345-F347 HydrophobicContact CG2-CZ 4.06Å; I345-F360 CarbonylContact C-O 3.5Å; I345-F360 WeakPolarHBondContact CA-O 3.31Å; I345-V361 HydrophobicContact CG1-CG2 4.4Å; I345-V361 HydrophobicContact CG2-CG2 4.42Å
346L93.5Very high90.3Very high13 Ų1355 Ų557%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-113.4103.6174.2-178.762.1000109.6E301 F305 A359 F360 V395 L399E301-L346 HydrophobicContact CG-CD1 4.15Å; E301-L346 WeakPolarHBondContact OE1-CD1 3.25Å; F305-L346 HydrophobicContact CB-CD2 4.13Å; F305-L346 HydrophobicContact CD1-CB 4.46Å; F305-L346 HydrophobicContact CD1-CD2 3.82Å; F305-L346 HydrophobicContact CD2-CB 3.63Å; F305-L346 HydrophobicContact CD2-CD2 4.15Å; F305-L346 HydrophobicContact CD2-CG 4.44Å; F305-L346 HydrophobicContact CE1-CB 4.33Å; F305-L346 HydrophobicContact CE1-CD2 4.22Å; F305-L346 HydrophobicContact CE2-CB 3.45Å; F305-L346 VanDerWaalsContact CE2-CB 3.45Å; F305-L346 HydrophobicContact CG-CB 4.14Å; F305-L346 HydrophobicContact CG-CD2 3.78Å; F305-L346 HydrophobicContact CZ-CB 3.82Å; L346-A359 CarbonylContact O-C 3.6Å; L346-A359 WeakPolarHBondContact O-CA 3.45Å; L346-F360 HydrophobicContact CB-CB 4.37Å; L346-F360 PolarHBondContact N-O 2.99Å; L346-F360 PolarHBondContact O-N 2.93Å; L346-V395 HydrophobicContact CD2-CG1 4.01Å; L346-L399 HydrophobicContact CD2-CD1 3.7Å
347F93.8Very high90.5Very high61 Ų6155.1 Ų55.127%0.26831%0.311SS..EExtended strand (participates in β ladder)trans-74.2136.3172.9-73.8-82.8000110.4L319 A325 V328 I345 A359L319-F347 HydrophobicContact CD1-CD1 4.39Å; L319-F347 HydrophobicContact CD1-CE1 4.07Å; A325-F347 HydrophobicContact CB-CE2 4.15Å; V328-F347 HydrophobicContact CG2-CE1 4.34Å; V328-F347 HydrophobicContact CG2-CZ 3.98Å; I345-F347 HydrophobicContact CG2-CD2 3.97Å; I345-F347 HydrophobicContact CG2-CE2 3.66Å; I345-F347 HydrophobicContact CG2-CZ 4.06Å; F347-A359 HydrophobicContact CD1-CB 4.01Å; F347-A359 HydrophobicContact CE1-CB 4.37Å
348V92Very high90.6Very high1 Ų153.5 Ų53.51%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-90.6114.5174.9-177.40000108.2T356 D358 F360 V398 L399 F402V348-T356 WeakPolarHBondContact CB-OG1 3.34Å; V348-T356 HydrophobicContact CG1-CG2 4.01Å; V348-T356 WeakPolarHBondContact O-CB 3.4Å; V348-T356 VanDerWaalsContact O-CG2 3.31Å; V348-T356 WeakPolarHBondContact O-CG2 3.39Å; V348-T356 PolarHBondContact O-N 2.8Å; V348-T356 PolarHBondContact O-OG1 3.04Å; V348-D358 HydrophobicContact CB-CB 4.12Å; V348-D358 WeakPolarHBondContact CB-O 3.34Å; V348-D358 HydrophobicContact CG2-CB 4.13Å; V348-D358 PolarHBondContact N-O 2.83Å; V348-F360 HydrophobicContact CG2-CD2 3.96Å; V348-F360 HydrophobicContact CG2-CE2 3.75Å; V348-V398 HydrophobicContact CB-CG1 4.46Å; V348-V398 HydrophobicContact CG1-CG1 3.86Å; V348-V398 HydrophobicContact CG2-CG1 3.86Å; V348-L399 HydrophobicContact CG1-CD2 4.25Å; V348-L399 HydrophobicContact CG2-CD2 4.21Å; V348-F402 HydrophobicContact CG1-CB 4.21Å; V348-F402 HydrophobicContact CG1-CD2 3.4Å; V348-F402 HydrophobicContact CG1-CE2 4.01Å; V348-F402 HydrophobicContact CG1-CG 4.03Å
349T90.6Very high90.7Very high64 Ų6452.7 Ų52.739%0.39330%0.295SS..EExtended strand (participates in β ladder)trans-116.1155.3177.757.40000111.5R354T349-R354 CarbonylContact C-O 3.4Å; T349-R354 VanDerWaalsContact CA-O 3.24Å; T349-R354 WeakPolarHBondContact CA-O 3.31Å; T349-R354 WeakPolarHBondContact CB-O 3.33Å
350Y88.9Confident91Very high94 Ų9451.5 Ų51.537%0.36929%0.288SS..  trans-68.2166.5164-70.6-79.8000110.6D352 G353 R354 T356 F402Y350-D352 WeakPolarHBondContact CB-OD1 3.45Å; Y350-D352 PolarHBondContact O-N 2.71Å; Y350-D352 VanDerWaalsContact O-N 3.16Å; Y350-G353 WeakPolarHBondContact O-CA 3.31Å; Y350-G353 PolarHBondContact O-N 2.92Å; Y350-R354 HydrophobicContact CD2-CB 3.99Å; Y350-R354 WeakPolarHBondContact CD2-O 3.21Å; Y350-R354 PolarHBondContact N-O 2.81Å; Y350-T356 HydrophobicContact CD2-CG2 3.79Å; Y350-T356 HydrophobicContact CE2-CG2 3.64Å; Y350-T356 HydrophobicContact CG-CG2 4.33Å; Y350-F402 AromaticContact CD1-CD1 3.94Å; Y350-F402 HydrophobicContact CD1-CD1 3.94Å; Y350-F402 AromaticContact CE1-CD1 3.53Å; Y350-F402 HydrophobicContact CE1-CD1 3.53Å; Y350-F402 AromaticContact CE1-CE1 3.82Å; Y350-F402 HydrophobicContact CE1-CE1 3.82Å; Y350-F402 AromaticContact CZ-CD1 3.95Å; Y350-F402 AromaticContact CZ-CE1 3.84Å
351P86Confident91.5Very high94 Ų9449.1 Ų49.161%0.6126%0.264SS*.THydrogen-bonded Turntrans-64.6-21.1-179.9-20.735.7000113.1G353 F402P351-G353 PolarHBondContact O-N 2.79Å; P351-F402 WeakPolarHBondContact CD-O 3.31Å; P351-F402 WeakPolarHBondContact CG-O 3.41Å
352D87.7Confident91.7Very high95 Ų9548.1 Ų48.151%0.50825%0.251SS..THydrogen-bonded Turntrans-84.37173.46311.7000113.5Y350 R354Y350-D352 WeakPolarHBondContact CB-OD1 3.45Å; Y350-D352 PolarHBondContact O-N 2.71Å; Y350-D352 VanDerWaalsContact O-N 3.16Å; D352-R354 VanDerWaalsContact C-N 3.29Å; D352-R354 VanDerWaalsContact CG-NE 3.33Å; D352-R354 PolarHBondContact O-N 2.89Å; D352-R354 VanDerWaalsContact OD1-CB 3.31Å; D352-R354 WeakPolarHBondContact OD1-CB 3.46Å; D352-R354 WeakPolarHBondContact OD1-CG 3.29Å; D352-R354 PolarHBondContact OD1-N 3.19Å; D352-R354 IonicContact OD1-NE 3.31Å; D352-R354 PolarHBondContact OD1-NE 2.86Å; D352-R354 IonicContact OD2-CZ 3.36Å; D352-R354 IonicContact OD2-NE 3.94Å; D352-R354 PolarHBondContact OD2-NE 3.03Å; D352-R354 IonicContact OD2-NH2 2.71Å; D352-R354 PolarHBondContact OD2-NH2 3.39Å
353G86.6Confident91.8Very high50 Ų5043.1 Ų43.152%0.51523%0.23SC..SBendtrans81.2-0.8179.100000114.7Y350 P351Y350-G353 WeakPolarHBondContact O-CA 3.31Å; Y350-G353 PolarHBondContact O-N 2.92Å; P351-G353 PolarHBondContact O-N 2.79Å
354R91.4Very high91.9Very high152 Ų15238.4 Ų38.457%0.57422%0.218SC*.  trans-67.8137.9178.9-71.4-174.9-66.7166-5.6111.4T349 Y350 D352T349-R354 CarbonylContact C-O 3.4Å; T349-R354 VanDerWaalsContact CA-O 3.24Å; T349-R354 WeakPolarHBondContact CA-O 3.31Å; T349-R354 WeakPolarHBondContact CB-O 3.33Å; Y350-R354 HydrophobicContact CD2-CB 3.99Å; Y350-R354 WeakPolarHBondContact CD2-O 3.21Å; Y350-R354 PolarHBondContact N-O 2.81Å; D352-R354 VanDerWaalsContact C-N 3.29Å; D352-R354 VanDerWaalsContact CG-NE 3.33Å; D352-R354 PolarHBondContact O-N 2.89Å; D352-R354 VanDerWaalsContact OD1-CB 3.31Å; D352-R354 WeakPolarHBondContact OD1-CB 3.46Å; D352-R354 WeakPolarHBondContact OD1-CG 3.29Å; D352-R354 PolarHBondContact OD1-N 3.19Å; D352-R354 IonicContact OD1-NE 3.31Å; D352-R354 PolarHBondContact OD1-NE 2.86Å; D352-R354 IonicContact OD2-CZ 3.36Å; D352-R354 IonicContact OD2-NE 3.94Å; D352-R354 PolarHBondContact OD2-NE 3.03Å; D352-R354 IonicContact OD2-NH2 2.71Å; D352-R354 PolarHBondContact OD2-NH2 3.39Å
355P92.3Very high91.9Very high52 Ų5240.5 Ų40.534%0.33823%0.231SC..EExtended strand (participates in β ladder)trans-71.8136.4178.128.9-33.9000111.2F321F321-P355 HydrophobicContact CB-CG 3.77Å; F321-P355 HydrophobicContact CD1-CB 4.47Å; F321-P355 HydrophobicContact CD1-CG 4.17Å; F321-P355 HydrophobicContact CG-CG 4.27Å; F321-P355 VanDerWaalsContact O-CG 3.3Å; F321-P355 WeakPolarHBondContact O-CG 3.36Å
356T92.3Very high91.6Very high24 Ų2443.2 Ų43.215%0.14724%0.244CC..EExtended strand (participates in β ladder)trans-85-17.3176.163.70000113V348 Y350 D358 F402V348-T356 WeakPolarHBondContact CB-OG1 3.34Å; V348-T356 HydrophobicContact CG1-CG2 4.01Å; V348-T356 WeakPolarHBondContact O-CB 3.4Å; V348-T356 VanDerWaalsContact O-CG2 3.31Å; V348-T356 WeakPolarHBondContact O-CG2 3.39Å; V348-T356 PolarHBondContact O-N 2.8Å; V348-T356 PolarHBondContact O-OG1 3.04Å; Y350-T356 HydrophobicContact CD2-CG2 3.79Å; Y350-T356 HydrophobicContact CE2-CG2 3.64Å; Y350-T356 HydrophobicContact CG-CG2 4.33Å; T356-D358 VanDerWaalsContact C-N 3.35Å; T356-D358 PolarHBondContact OG1-N 3.37Å; T356-F402 HydrophobicContact CG2-CD1 3.62Å; T356-F402 HydrophobicContact CG2-CD2 4.14Å; T356-F402 HydrophobicContact CG2-CE1 3.71Å; T356-F402 HydrophobicContact CG2-CE2 4.22Å; T356-F402 HydrophobicContact CG2-CG 3.85Å; T356-F402 HydrophobicContact CG2-CZ 4.02Å
357G92.2Very high91.4Very high7 Ų748.8 Ų48.87%0.07227%0.269CS..EExtended strand (participates in β ladder)trans84.76.9-170.500000114.1R317 G318 L319R317-G357 CarbonylContact C-O 3.6Å; G318-G357 PolarHBondContact N-O 3.5Å; L319-G357 WeakPolarHBondContact CB-O 3.39Å; L319-G357 PolarHBondContact N-O 3.45Å
358D93.9Very high91.4Very high17 Ų1749.7 Ų49.79%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-107.8144.6171.5-75.611.1000110.4R315 M316 R317 V348 T356R315-D358 IonicContact CZ-OD2 3.67Å; R315-D358 IonicContact NE-OD2 3.45Å; R315-D358 PolarHBondContact NE-OD2 2.96Å; R315-D358 IonicContact NH2-OD2 3.19Å; R315-D358 PolarHBondContact NH2-OD2 3.5Å; M316-D358 VanDerWaalsContact O-CA 3.31Å; M316-D358 WeakPolarHBondContact O-CA 3.24Å; R317-D358 WeakPolarHBondContact CG-OD1 3.33Å; R317-D358 IonicContact NE-OD1 3.65Å; R317-D358 IonicContact NE-OD2 2.69Å; V348-D358 HydrophobicContact CB-CB 4.12Å; V348-D358 WeakPolarHBondContact CB-O 3.34Å; V348-D358 HydrophobicContact CG2-CB 4.13Å; V348-D358 PolarHBondContact N-O 2.83Å; T356-D358 VanDerWaalsContact C-N 3.35Å; T356-D358 PolarHBondContact OG1-N 3.37Å
359A95.5Very high91.5Very high0 Ų049.7 Ų49.70%027%0.272CS..EExtended strand (participates in β ladder)trans-146.8159.5171.700000111.1R315 M316 L319 L346 F347R315-A359 CarbonylContact C-O 3.6Å; R315-A359 WeakPolarHBondContact CA-O 3.29Å; M316-A359 HydrophobicContact CB-CB 4.44Å; M316-A359 PolarHBondContact N-O 3.39Å; M316-A359 PolarHBondContact O-N 3.47Å; L319-A359 HydrophobicContact CD1-CB 3.46Å; L319-A359 VanDerWaalsContact CD1-CB 3.46Å; L346-A359 CarbonylContact O-C 3.6Å; L346-A359 WeakPolarHBondContact O-CA 3.45Å; F347-A359 HydrophobicContact CD1-CB 4.01Å; F347-A359 HydrophobicContact CE1-CB 4.37Å
360F95.3Very high91.5Very high0 Ų051 Ų510%027%0.274CS..EExtended strand (participates in β ladder)trans-116140.3171-63.9-85.2000110.2F305 I313 V314 R315 I345 L346 V348 S390 E394 V395 V398F305-F360 HydrophobicContact CE1-CB 3.93Å; F305-F360 HydrophobicContact CZ-CB 3.73Å; I313-F360 HydrophobicContact CG2-CB 4.17Å; I313-F360 HydrophobicContact CG2-CD1 3.9Å; I313-F360 HydrophobicContact CG2-CG 4.47Å; V314-F360 CarbonylContact O-C 3.57Å; V314-F360 WeakPolarHBondContact O-CA 3.41Å; R315-F360 HydrophobicContact CB-CD1 3.8Å; R315-F360 HydrophobicContact CB-CE1 3.67Å; R315-F360 HydrophobicContact CG-CD1 4.03Å; R315-F360 HydrophobicContact CG-CE1 3.64Å; R315-F360 HydrophobicContact CG-CZ 4.1Å; I345-F360 CarbonylContact C-O 3.5Å; I345-F360 WeakPolarHBondContact CA-O 3.31Å; L346-F360 HydrophobicContact CB-CB 4.37Å; L346-F360 PolarHBondContact N-O 2.99Å; L346-F360 PolarHBondContact O-N 2.93Å; V348-F360 HydrophobicContact CG2-CD2 3.96Å; V348-F360 HydrophobicContact CG2-CE2 3.75Å; F360-S390 WeakPolarHBondContact CE1-OG 3.45Å; F360-E394 HydrophobicContact CE1-CG 4.46Å; F360-V395 HydrophobicContact CB-CG2 4.41Å; F360-V395 HydrophobicContact CD1-CG2 3.6Å; F360-V395 HydrophobicContact CD2-CG1 4.23Å; F360-V395 HydrophobicContact CD2-CG2 4.23Å; F360-V395 HydrophobicContact CE1-CB 4.44Å; F360-V395 HydrophobicContact CE1-CG2 3.76Å; F360-V395 HydrophobicContact CE2-CB 4.44Å; F360-V395 HydrophobicContact CE2-CG1 4.35Å; F360-V395 HydrophobicContact CE2-CG2 4.38Å; F360-V395 HydrophobicContact CG-CG2 3.83Å; F360-V395 HydrophobicContact CZ-CB 4.36Å; F360-V395 HydrophobicContact CZ-CG2 4.15Å; F360-V398 HydrophobicContact CE2-CB 3.93Å; F360-V398 HydrophobicContact CE2-CG1 3.93Å; F360-V398 HydrophobicContact CE2-CG2 4.45Å; F360-V398 HydrophobicContact CZ-CB 3.79Å; F360-V398 HydrophobicContact CZ-CG1 4.13Å; F360-V398 HydrophobicContact CZ-CG2 3.84Å
361V95.7Very high91.8Very high0 Ų047.8 Ų47.80%026%0.263CS..EExtended strand (participates in β ladder)trans-129.7134.3-175.8-175.80000109.8I313 V314 M316 V328 F332 I338 G344 I345 F363I313-V361 WeakPolarHBondContact CA-O 3.47Å; V314-V361 PolarHBondContact N-O 2.87Å; V314-V361 PolarHBondContact O-N 3.13Å; M316-V361 HydrophobicContact CG-CG2 3.99Å; M316-V361 HydrophobicContact SD-CG2 3.55Å; M316-V361 VanDerWaalsContact SD-CG2 3.55Å; V328-V361 HydrophobicContact CG1-CG2 4.19Å; F332-V361 HydrophobicContact CD2-CG1 4.46Å; F332-V361 HydrophobicContact CE2-CB 4.39Å; F332-V361 HydrophobicContact CE2-CG1 4.14Å; F332-V361 HydrophobicContact CE2-CG2 4.05Å; I338-V361 HydrophobicContact CB-CG1 4.21Å; I338-V361 HydrophobicContact CD1-CG1 3.72Å; I338-V361 HydrophobicContact CG1-CG1 3.68Å; I338-V361 HydrophobicContact CG2-CG1 3.6Å; G344-V361 WeakPolarHBondContact O-CA 3.19Å; I345-V361 HydrophobicContact CG1-CG2 4.4Å; I345-V361 HydrophobicContact CG2-CG2 4.42Å; V361-F363 HydrophobicContact CB-CE2 4.08Å; V361-F363 HydrophobicContact CB-CZ 4.48Å; V361-F363 HydrophobicContact CG1-CD2 4.48Å; V361-F363 HydrophobicContact CG1-CE2 3.74Å; V361-F363 HydrophobicContact CG1-CZ 3.77Å
362L94.1Very high92.2Very high6 Ų643.3 Ų43.33%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-97.5132.5-178.7-63.3165000111F305 Q311 I313 I338 T339 G344F305-L362 HydrophobicContact CD1-CD1 4.31Å; F305-L362 HydrophobicContact CD1-CD2 4.42Å; F305-L362 HydrophobicContact CD2-CD1 3.54Å; F305-L362 HydrophobicContact CD2-CG 4.26Å; F305-L362 HydrophobicContact CE1-CD1 4.11Å; F305-L362 HydrophobicContact CE1-CD2 3.74Å; F305-L362 HydrophobicContact CE1-CG 3.94Å; F305-L362 HydrophobicContact CE2-CD1 3.3Å; F305-L362 HydrophobicContact CE2-CD2 4.29Å; F305-L362 HydrophobicContact CE2-CG 3.55Å; F305-L362 HydrophobicContact CG-CD1 4.06Å; F305-L362 HydrophobicContact CZ-CD1 3.63Å; F305-L362 HydrophobicContact CZ-CD2 3.69Å; F305-L362 HydrophobicContact CZ-CG 3.37Å; F305-L362 VanDerWaalsContact O-CD1 3.29Å; F305-L362 WeakPolarHBondContact O-CD1 3.39Å; Q311-L362 HydrophobicContact CB-CD2 4.23Å; Q311-L362 VanDerWaalsContact OE1-CD1 3.23Å; I313-L362 HydrophobicContact CG1-CD2 3.82Å; I338-L362 WeakPolarHBondContact CG2-O 3.4Å; T339-L362 PolarHBondContact N-O 3.44Å; T339-L362 PolarHBondContact OG1-O 2.99Å; G344-L362 PolarHBondContact O-N 2.86Å
363F93.7Very high92.4Very high0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans-118.7145.1173.4-65.3-83000110.5Q311 V312 V314 F332 C336 I338 T339 V361 C365 A369 A372Q311-F363 WeakPolarHBondContact CA-O 3.48Å; V312-F363 PolarHBondContact N-O 2.79Å; V312-F363 PolarHBondContact O-N 2.83Å; V314-F363 HydrophobicContact CB-CD2 4.3Å; V314-F363 HydrophobicContact CB-CE2 3.82Å; V314-F363 HydrophobicContact CG2-CD2 3.75Å; V314-F363 HydrophobicContact CG2-CE2 3.62Å; F332-F363 HydrophobicContact CD1-CE1 4.49Å; F332-F363 AromaticContact CD1-CZ 3.96Å; F332-F363 HydrophobicContact CD1-CZ 3.96Å; F332-F363 HydrophobicContact CD2-CZ 4.25Å; F332-F363 HydrophobicContact CE1-CZ 4.02Å; F332-F363 HydrophobicContact CE2-CZ 4.27Å; F332-F363 HydrophobicContact CG-CE1 4.46Å; F332-F363 HydrophobicContact CG-CZ 4.09Å; F332-F363 HydrophobicContact CZ-CZ 4.15Å; C336-F363 HydrophobicContact CB-CE1 4.02Å; I338-F363 HydrophobicContact CG1-CE1 4.38Å; T339-F363 WeakPolarHBondContact OG1-CA 3.43Å; V361-F363 HydrophobicContact CB-CE2 4.08Å; V361-F363 HydrophobicContact CB-CZ 4.48Å; V361-F363 HydrophobicContact CG1-CD2 4.48Å; V361-F363 HydrophobicContact CG1-CE2 3.74Å; V361-F363 HydrophobicContact CG1-CZ 3.77Å; F363-C365 VanDerWaalsContact C-N 3.28Å; F363-C365 PolarHBondContact O-N 3.33Å; F363-A369 HydrophobicContact CB-CB 4.09Å; F363-A369 HydrophobicContact CD2-CB 4.16Å; F363-A369 HydrophobicContact CG-CB 4.23Å; F363-A372 HydrophobicContact CE1-CB 3.85Å; F363-A372 HydrophobicContact CE2-CB 3.89Å; F363-A372 HydrophobicContact CZ-CB 3.43Å; F363-A372 VanDerWaalsContact CZ-CB 3.43Å
364A90.6Very high92.8Very high58 Ų5846.2 Ų46.248%0.47922%0.224SC..SBendtrans-75.6-18.4-173.300000113.1T339T339-A364 WeakPolarHBondContact OG1-CA 3.26Å; T339-A364 PolarHBondContact OG1-N 2.91Å
365C89Confident92.9Very high44 Ų4441 Ų4130%0.29721%0.206SC..SBendtrans-154.2166179.3670000111.6F363 E367 Y368 A369F363-C365 VanDerWaalsContact C-N 3.28Å; F363-C365 PolarHBondContact O-N 3.33Å; C365-E367 VanDerWaalsContact C-N 3.28Å; C365-E367 PolarHBondContact O-N 3.09Å; C365-Y368 PolarHBondContact O-N 3.2Å; C365-Y368 WeakPolarHBondContact SG-CD2 3.31Å; C365-A369 PolarHBondContact O-N 2.87Å
366E87.5Confident93Very high76 Ų7641.2 Ų41.236%0.35520%0.202SC..Hα-helixtrans-59.7-36.6177.7-170.670-162.300112.4A369 Q370 R389E366-A369 PolarHBondContact O-N 3.47Å; E366-Q370 WeakPolarHBondContact O-CB 3.4Å; E366-Q370 PolarHBondContact O-N 2.95Å; E366-R389 IonicContact OE1-CZ 3.8Å; E366-R389 VanDerWaalsContact OE1-CZ 3.3Å; E366-R389 IonicContact OE1-NH1 3.81Å; E366-R389 PolarHBondContact OE1-NH1 2.71Å; E366-R389 IonicContact OE1-NH2 2.8Å; E366-R389 PolarHBondContact OE1-NH2 2.79Å; E366-R389 IonicContact OE2-CZ 3.21Å; E366-R389 IonicContact OE2-NH1 2.87Å; E366-R389 IonicContact OE2-NH2 3.84Å; E366-R389 PolarHBondContact OE2-NH2 3.26Å
367E91.2Very high93.1Very high129 Ų12946.3 Ų46.360%0.60322%0.222SC*.Hα-helixtrans-61.5-48.7-178.8-173.3-174.5163.600111.9C365 A369 Q370 N371C365-E367 VanDerWaalsContact C-N 3.28Å; C365-E367 PolarHBondContact O-N 3.09Å; E367-A369 PolarHBondContact O-N 3.39Å; E367-Q370 PolarHBondContact O-N 3.44Å; E367-N371 VanDerWaalsContact O-CG 3.24Å; E367-N371 PolarHBondContact O-N 3.1Å
368Y93.8Very high93.3Very high81 Ų8149.9 Ų49.932%0.31824%0.237SC..Hα-helixtrans-65.9-39.2178.5-63.3-27.7000112.2P337 C365 Q370 N371 A372P337-Y368 HydrophobicContact CG-CD1 4.43Å; P337-Y368 HydrophobicContact CG-CD2 3.71Å; P337-Y368 HydrophobicContact CG-CE1 4.19Å; P337-Y368 HydrophobicContact CG-CE2 3.44Å; P337-Y368 VanDerWaalsContact CG-CE2 3.44Å; P337-Y368 HydrophobicContact CG-CG 4.22Å; C365-Y368 PolarHBondContact O-N 3.2Å; C365-Y368 WeakPolarHBondContact SG-CD2 3.31Å; Y368-Q370 VanDerWaalsContact C-N 3.33Å; Y368-N371 PolarHBondContact O-N 3.17Å; Y368-A372 VanDerWaalsContact O-CB 3.3Å; Y368-A372 WeakPolarHBondContact O-CB 3.14Å; Y368-A372 PolarHBondContact O-N 3.44Å
369A92.3Very high93.3Very high1 Ų154.8 Ų54.81%0.00826%0.263CS..Hα-helixtrans-63-40.9173.700000111.6V312 V314 F363 C365 E366 E367 A372 L373V312-A369 HydrophobicContact CB-CB 3.71Å; V312-A369 HydrophobicContact CG1-CB 3.35Å; V312-A369 HydrophobicContact CG2-CB 4.44Å; V314-A369 HydrophobicContact CG2-CB 4.2Å; F363-A369 HydrophobicContact CB-CB 4.09Å; F363-A369 HydrophobicContact CD2-CB 4.16Å; F363-A369 HydrophobicContact CG-CB 4.23Å; C365-A369 PolarHBondContact O-N 2.87Å; E366-A369 PolarHBondContact O-N 3.47Å; E367-A369 PolarHBondContact O-N 3.39Å; A369-A372 WeakPolarHBondContact O-CB 3.34Å; A369-A372 PolarHBondContact O-N 3.46Å; A369-L373 VanDerWaalsContact O-CG 3.25Å; A369-L373 WeakPolarHBondContact O-CG 3.29Å; A369-L373 PolarHBondContact O-N 2.79Å
370Q91.8Very high93.2Very high92 Ų9255.3 Ų55.343%0.4327%0.266SS..Hα-helixtrans-65.9-43177.6-168.464.916.400111.6E366 E367 Y368 A372 L373 R374E366-Q370 WeakPolarHBondContact O-CB 3.4Å; E366-Q370 PolarHBondContact O-N 2.95Å; E367-Q370 PolarHBondContact O-N 3.44Å; Y368-Q370 VanDerWaalsContact C-N 3.33Å; Q370-A372 VanDerWaalsContact C-N 3.31Å; Q370-A372 PolarHBondContact O-N 2.85Å; Q370-L373 PolarHBondContact O-N 2.88Å; Q370-R374 WeakPolarHBondContact O-CG 3.48Å; Q370-R374 PolarHBondContact O-N 2.82Å
371N93.9Very high93Very high26 Ų2658.5 Ų58.514%0.13930%0.298CS..Hα-helixtrans-60-43.1173.3-65.7-18.2000110.8H335 C336 E367 Y368 R374H335-N371 PolarHBondContact O-ND2 3.29Å; C336-N371 VanDerWaalsContact SG-C 3.55Å; C336-N371 WeakPolarHBondContact SG-CB 3.46Å; E367-N371 VanDerWaalsContact O-CG 3.24Å; E367-N371 PolarHBondContact O-N 3.1Å; Y368-N371 PolarHBondContact O-N 3.17Å; N371-R374 WeakPolarHBondContact O-CB 3.49Å; N371-R374 PolarHBondContact O-N 2.95Å; N371-R374 PolarHBondContact OD1-NH1 2.95Å; N371-R374 PolarHBondContact OD1-NH2 3.5Å
372A94.6Very high92.7Very high0 Ų068.3 Ų68.30%034%0.341CS..Hα-helixtrans-59.8-45.2175.100000111.8F332 C336 F363 Y368 A369 Q370 R374 K375 L387F332-A372 HydrophobicContact CD1-CB 3.63Å; F332-A372 HydrophobicContact CE1-CB 3.55Å; C336-A372 HydrophobicContact CB-CB 4.32Å; C336-A372 PolarHBondContact SG-N 3.42Å; F363-A372 HydrophobicContact CE1-CB 3.85Å; F363-A372 HydrophobicContact CE2-CB 3.89Å; F363-A372 HydrophobicContact CZ-CB 3.43Å; F363-A372 VanDerWaalsContact CZ-CB 3.43Å; Y368-A372 VanDerWaalsContact O-CB 3.3Å; Y368-A372 WeakPolarHBondContact O-CB 3.14Å; Y368-A372 PolarHBondContact O-N 3.44Å; A369-A372 WeakPolarHBondContact O-CB 3.34Å; A369-A372 PolarHBondContact O-N 3.46Å; Q370-A372 VanDerWaalsContact C-N 3.31Å; Q370-A372 PolarHBondContact O-N 2.85Å; A372-R374 PolarHBondContact O-N 3.16Å; A372-K375 VanDerWaalsContact O-CB 3.3Å; A372-K375 WeakPolarHBondContact O-CB 3.29Å; A372-K375 PolarHBondContact O-N 3.16Å; A372-L387 WeakPolarHBondContact O-CD1 3.13Å
373L93.4Very high92.7Very high36 Ų3674.1 Ų74.119%0.18836%0.362CS..Hα-helixtrans-62.7-26.2178.1-69169.4000113.4V314 A369 Q370 K375 H376 L387 R389V314-L373 HydrophobicContact CG1-CD2 4.01Å; V314-L373 HydrophobicContact CG2-CD2 4.38Å; V314-L373 HydrophobicContact CG2-CG 4.49Å; A369-L373 VanDerWaalsContact O-CG 3.25Å; A369-L373 WeakPolarHBondContact O-CG 3.29Å; A369-L373 PolarHBondContact O-N 2.79Å; Q370-L373 PolarHBondContact O-N 2.88Å; L373-K375 PolarHBondContact O-N 3.1Å; L373-H376 VanDerWaalsContact O-CB 3.23Å; L373-H376 WeakPolarHBondContact O-CB 3.47Å; L373-H376 PolarHBondContact O-N 3.13Å; L373-H376 VanDerWaalsContact O-N 3.15Å; L373-L387 HydrophobicContact CD2-CB 4.2Å; L373-R389 HydrophobicContact CD1-CB 4.12Å
374R94.3Very high92.8Very high170 Ų17080.5 Ų80.564%0.64239%0.387SS*.Hα-helixtrans-64.5-22.3173.2-63.7-172.8-149.4119.110.8113Q370 N371 A372 H376Q370-R374 WeakPolarHBondContact O-CG 3.48Å; Q370-R374 PolarHBondContact O-N 2.82Å; N371-R374 WeakPolarHBondContact O-CB 3.49Å; N371-R374 PolarHBondContact O-N 2.95Å; N371-R374 PolarHBondContact OD1-NH1 2.95Å; N371-R374 PolarHBondContact OD1-NH2 3.5Å; A372-R374 PolarHBondContact O-N 3.16Å; R374-H376 PolarHBondContact O-N 2.85Å
375K94.5Very high93Very high41 Ų4177.8 Ų77.818%0.17836%0.364CS..THydrogen-bonded Turntrans-79.39175.8-54.6-175.565.583.70113.6F331 F332 A372 L373 K377 E378 L387F331-K375 HydrophobicContact CE1-CB 4.22Å; F331-K375 HydrophobicContact CE1-CD 4.37Å; F331-K375 HydrophobicContact CZ-CB 4.04Å; F331-K375 WeakPolarHBondContact O-CE 3.23Å; F331-K375 PolarHBondContact O-NZ 3.24Å; F332-K375 HydrophobicContact CD1-CD 4.21Å; A372-K375 VanDerWaalsContact O-CB 3.3Å; A372-K375 WeakPolarHBondContact O-CB 3.29Å; A372-K375 PolarHBondContact O-N 3.16Å; L373-K375 PolarHBondContact O-N 3.1Å; K375-K377 PolarHBondContact O-N 2.96Å; K375-E378 WeakPolarHBondContact CA-OE1 3.4Å; K375-E378 HydrophobicContact CB-CB 4.47Å; K375-E378 HydrophobicContact CB-CG 4.16Å; K375-E378 WeakPolarHBondContact CE-OE2 3.31Å; K375-E378 IonicContact NZ-OE1 2.71Å; K375-E378 IonicContact NZ-OE2 3.37Å; K375-E378 PolarHBondContact NZ-OE2 2.93Å; K375-E378 VanDerWaalsContact O-CB 3.26Å; K375-E378 WeakPolarHBondContact O-CB 3.31Å; K375-E378 WeakPolarHBondContact O-CG 3.4Å; K375-E378 PolarHBondContact O-N 3.13Å; K375-L387 HydrophobicContact CB-CD1 3.94Å
376H94.3Very high93.3Very high58 Ų5878.1 Ų78.127%0.26936%0.362SS..THydrogen-bonded Turntrans-57129.1178.9-179.991.4000110.8L373 R374 E378 L387L373-H376 VanDerWaalsContact O-CB 3.23Å; L373-H376 WeakPolarHBondContact O-CB 3.47Å; L373-H376 PolarHBondContact O-N 3.13Å; L373-H376 VanDerWaalsContact O-N 3.15Å; R374-H376 PolarHBondContact O-N 2.85Å; H376-E378 VanDerWaalsContact C-N 3.29Å; H376-E378 PolarHBondContact O-N 2.98Å; H376-L387 HydrophobicContact CB-CB 4.35Å; H376-L387 PolarHBondContact ND1-N 2.66Å; H376-L387 PolarHBondContact ND1-O 3.03Å
377K94.3Very high93.6Very high131 Ų13174.8 Ų74.857%0.5735%0.346SS*.THydrogen-bonded Turntrans70.29.1-173.4-62.4166.1-179.2178.20115.9K375 I385K375-K377 PolarHBondContact O-N 2.96Å; K377-I385 VanDerWaalsContact CA-O 3.29Å; K377-I385 WeakPolarHBondContact CA-O 3.4Å; K377-I385 PolarHBondContact N-O 3.19Å
378E95.7Very high93.6Very high82 Ų8270.5 Ų70.538%0.38333%0.326SS..  trans-66.1159.1165.9-71.6-173.4-159.300111.5F331 K375 H376 Y384 I385F331-E378 HydrophobicContact CE2-CB 3.79Å; F331-E378 HydrophobicContact CZ-CB 4.01Å; K375-E378 WeakPolarHBondContact CA-OE1 3.4Å; K375-E378 HydrophobicContact CB-CB 4.47Å; K375-E378 HydrophobicContact CB-CG 4.16Å; K375-E378 WeakPolarHBondContact CE-OE2 3.31Å; K375-E378 IonicContact NZ-OE1 2.71Å; K375-E378 IonicContact NZ-OE2 3.37Å; K375-E378 PolarHBondContact NZ-OE2 2.93Å; K375-E378 VanDerWaalsContact O-CB 3.26Å; K375-E378 WeakPolarHBondContact O-CB 3.31Å; K375-E378 WeakPolarHBondContact O-CG 3.4Å; K375-E378 PolarHBondContact O-N 3.13Å; H376-E378 VanDerWaalsContact C-N 3.29Å; H376-E378 PolarHBondContact O-N 2.98Å; E378-Y384 WeakPolarHBondContact O-CA 3.36Å; E378-I385 PolarHBondContact O-N 2.76Å
379L94.1Very high93.5Very high120 Ų12068 Ų6863%0.62832%0.316SS*.EExtended strand (participates in β ladder)trans-87.5133.4-176.4-65.1173.9000111.6R383L379-R383 CarbonylContact C-O 3.56Å; L379-R383 WeakPolarHBondContact CA-O 3.34Å
380L93.7Very high93.4Very high11 Ų1168.1 Ų68.16%0.05832%0.317CS..EExtended strand (participates in β ladder)trans-115.3109.8160.3-165.4160.1000107.3L319 P320 A323 E327 V328 F331 K382 R383 I385L319-L380 HydrophobicContact CD2-CD1 3.91Å; P320-L380 HydrophobicContact CG-CD2 3.83Å; A323-L380 HydrophobicContact CB-CD2 4.38Å; E327-L380 HydrophobicContact CB-CD2 4.41Å; V328-L380 HydrophobicContact CG2-CD1 4.37Å; F331-L380 HydrophobicContact CB-CD1 3.95Å; F331-L380 HydrophobicContact CD2-CB 4.13Å; F331-L380 HydrophobicContact CD2-CD1 4.26Å; F331-L380 HydrophobicContact CD2-CG 4.45Å; F331-L380 HydrophobicContact CG-CD1 4.15Å; L380-K382 PolarHBondContact O-N 2.7Å; L380-K382 VanDerWaalsContact O-N 3.16Å; L380-R383 PolarHBondContact N-O 2.98Å; L380-R383 PolarHBondContact O-N 3.41Å; L380-R383 VanDerWaalsContact O-N 3.16Å; L380-I385 HydrophobicContact CB-CD1 3.92Å; L380-I385 HydrophobicContact CB-CG1 3.57Å
381G89.7Confident93.2Very high66 Ų6664 Ų6468%0.6830%0.298SS*.THydrogen-bonded Turntrans60.2-114.2-167.400000111.2
382K90.6Very high92.9Very high206 Ų20663.3 Ų63.390%0.89630%0.296SS*.THydrogen-bonded Turntrans-105.210-179.8-61-176.7-178.6178.70113.7L380L380-K382 PolarHBondContact O-N 2.7Å; L380-K382 VanDerWaalsContact O-N 3.16Å
383R93.3Very high92.5Very high129 Ų12963.7 Ų63.749%0.48730%0.299SS..EExtended strand (participates in β ladder)trans-119.5132.5-173.2-62.5-67.6-65-164-3.3109.7G318 P320 L379 L380 I385G318-R383 WeakPolarHBondContact O-CB 3.36Å; P320-R383 HydrophobicContact CB-CG 4.46Å; P320-R383 HydrophobicContact CG-CB 4.1Å; P320-R383 HydrophobicContact CG-CG 3.85Å; L379-R383 CarbonylContact C-O 3.56Å; L379-R383 WeakPolarHBondContact CA-O 3.34Å; L380-R383 PolarHBondContact N-O 2.98Å; L380-R383 PolarHBondContact O-N 3.41Å; L380-R383 VanDerWaalsContact O-N 3.16Å; R383-I385 HydrophobicContact CB-CD1 4.41Å
384Y95.4Very high92.3Very high134 Ų13462.1 Ų62.153%0.52529%0.29SS..EExtended strand (participates in β ladder)trans-73.313916660.2-96000108.9E378 E386E378-Y384 WeakPolarHBondContact O-CA 3.36Å; Y384-E386 HydrophobicContact CD2-CG 4.31Å; Y384-E386 HydrophobicContact CE2-CG 4.25Å
385I96.5Very high92.1Very high0 Ų054 Ų540%026%0.26CS..  trans-104.9124.7-179.1-56.5-51000109.5M316 L319 F331 K377 E378 L380 R383 L387M316-I385 HydrophobicContact CB-CG2 4.22Å; M316-I385 HydrophobicContact CE-CG2 3.8Å; L319-I385 HydrophobicContact CD2-CD1 3.97Å; L319-I385 HydrophobicContact CG-CD1 4.41Å; F331-I385 HydrophobicContact CE2-CG1 4.43Å; F331-I385 HydrophobicContact CZ-CB 4.25Å; K377-I385 VanDerWaalsContact CA-O 3.29Å; K377-I385 WeakPolarHBondContact CA-O 3.4Å; K377-I385 PolarHBondContact N-O 3.19Å; E378-I385 PolarHBondContact O-N 2.76Å; L380-I385 HydrophobicContact CB-CD1 3.92Å; L380-I385 HydrophobicContact CB-CG1 3.57Å; R383-I385 HydrophobicContact CB-CD1 4.41Å; I385-L387 HydrophobicContact CG2-CD2 3.77Å; I385-L387 HydrophobicContact CG2-CG 4.31Å
386E94.1Very high91.8Very high52 Ų5252.6 Ų52.624%0.24325%0.254CS..EExtended strand (participates in β ladder)trans-88.5125.4172.2-55.4-179.2106.600109.3M316 R317 Y384 F388M316-E386 CarbonylContact C-O 3.59Å; M316-E386 WeakPolarHBondContact CA-O 3.33Å; R317-E386 HydrophobicContact CB-CB 4.3Å; R317-E386 PolarHBondContact N-O 3.37Å; R317-E386 IonicContact NH1-OE2 2.72Å; R317-E386 PolarHBondContact O-N 2.76Å; Y384-E386 HydrophobicContact CD2-CG 4.31Å; Y384-E386 HydrophobicContact CE2-CG 4.25Å; E386-F388 HydrophobicContact CB-CD2 4.44Å; E386-F388 HydrophobicContact CB-CE2 3.45Å; E386-F388 VanDerWaalsContact CB-CE2 3.45Å; E386-F388 HydrophobicContact CB-CZ 3.79Å
387L93.9Very high91.6Very high5 Ų551 Ų513%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-111.5133.1178.5-58.4176.2000110.7V314 R315 M316 F331 F332 A372 L373 K375 H376 I385V314-L387 HydrophobicContact CG1-CB 4.22Å; V314-L387 HydrophobicContact CG1-CD2 4.29Å; R315-L387 WeakPolarHBondContact O-CA 3.5Å; M316-L387 HydrophobicContact CB-CD2 4.18Å; M316-L387 HydrophobicContact CE-CD2 4.14Å; M316-L387 HydrophobicContact CG-CD2 3.64Å; F331-L387 HydrophobicContact CE1-CD1 4.08Å; F331-L387 HydrophobicContact CZ-CD1 4.42Å; F332-L387 HydrophobicContact CE1-CD1 3.93Å; F332-L387 HydrophobicContact CE1-CD2 4.27Å; F332-L387 HydrophobicContact CZ-CD1 4.4Å; F332-L387 HydrophobicContact CZ-CD2 3.91Å; A372-L387 WeakPolarHBondContact O-CD1 3.13Å; L373-L387 HydrophobicContact CD2-CB 4.2Å; K375-L387 HydrophobicContact CB-CD1 3.94Å; H376-L387 HydrophobicContact CB-CB 4.35Å; H376-L387 PolarHBondContact ND1-N 2.66Å; H376-L387 PolarHBondContact ND1-O 3.03Å; I385-L387 HydrophobicContact CG2-CD2 3.77Å; I385-L387 HydrophobicContact CG2-CG 4.31Å
388F91.6Very high91.3Very high40 Ų4044.8 Ų44.818%0.17522%0.22CC..EExtended strand (participates in β ladder)trans-135.5135177-53.8-84.6000109.2V314 R315 R317 E386V314-F388 CarbonylContact C-O 3.58Å; V314-F388 WeakPolarHBondContact CA-O 3.17Å; V314-F388 WeakPolarHBondContact CG1-O 3.45Å; R315-F388 PolarHBondContact N-O 2.97Å; R315-F388 PolarHBondContact O-N 3.07Å; R317-F388 HydrophobicContact CG-CD2 4.45Å; R317-F388 HydrophobicContact CG-CE2 4.33Å; E386-F388 HydrophobicContact CB-CD2 4.44Å; E386-F388 HydrophobicContact CB-CE2 3.45Å; E386-F388 VanDerWaalsContact CB-CE2 3.45Å; E386-F388 HydrophobicContact CB-CZ 3.79Å
389R90.7Very high90.9Very high27 Ų2741.7 Ų41.710%0.10221%0.206CC..EExtended strand (participates in β ladder)trans-53.8145.5164.6-179.1165.9175.7150.732.3108.2S223 D224 R251 E366 L373S223-R389 VanDerWaalsContact CB-CD 3.46Å; D224-R389 IonicContact OD1-CZ 3.02Å; D224-R389 IonicContact OD1-NE 3.48Å; D224-R389 PolarHBondContact OD1-NE 2.91Å; R251-R389 PolarHBondContact NH2-O 3.25Å; E366-R389 IonicContact OE1-CZ 3.8Å; E366-R389 VanDerWaalsContact OE1-CZ 3.3Å; E366-R389 IonicContact OE1-NH1 3.81Å; E366-R389 PolarHBondContact OE1-NH1 2.71Å; E366-R389 IonicContact OE1-NH2 2.8Å; E366-R389 PolarHBondContact OE1-NH2 2.79Å; E366-R389 IonicContact OE2-CZ 3.21Å; E366-R389 IonicContact OE2-NH1 2.87Å; E366-R389 IonicContact OE2-NH2 3.84Å; E366-R389 PolarHBondContact OE2-NH2 3.26Å; L373-R389 HydrophobicContact CD1-CB 4.12Å
390S90.6Very high90.5Very high5 Ų539 Ų394%0.03519%0.192CC..EExtended strand (participates in β ladder)trans-139.7169.5-175.7-157.10000111.9I313 F360 E394I313-S390 PolarHBondContact O-N 2.9Å; F360-S390 WeakPolarHBondContact CE1-OG 3.45Å; S390-E394 VanDerWaalsContact OG-CB 3.31Å; S390-E394 WeakPolarHBondContact OG-CB 3.24Å; S390-E394 WeakPolarHBondContact OG-CG 3.3Å; S390-E394 PolarHBondContact OG-OE2 3.16Å
391T88.1Confident90Very high6 Ų641.9 Ų41.94%0.03720%0.202CC..  trans-122.9161.9-179.371.20000110.8D224 L243 A393 E394 V395D224-T391 HydrophobicContact CB-CG2 3.66Å; L243-T391 HydrophobicContact CD1-CG2 4.17Å; T391-A393 PolarHBondContact O-N 3.35Å; T391-A393 PolarHBondContact OG1-N 2.8Å; T391-E394 WeakPolarHBondContact O-CB 3.18Å; T391-E394 PolarHBondContact O-N 3.06Å; T391-E394 PolarHBondContact OG1-N 3.42Å; T391-E394 VanDerWaalsContact OG1-N 3.16Å; T391-V395 PolarHBondContact O-N 3.29Å; T391-V395 VanDerWaalsContact O-N 3.08Å
392A86.9Confident89.6Confident11 Ų1140.3 Ų40.39%0.09118%0.177CC..Hα-helixtrans-53.4-41.6172.600000112.4G199 T200 L306 E394 V395 Q396G199-A392 WeakPolarHBondContact O-CB 3.47Å; T200-A392 HydrophobicContact CG2-CB 3.9Å; L306-A392 HydrophobicContact CD1-CB 3.64Å; A392-E394 VanDerWaalsContact C-N 3.33Å; A392-E394 PolarHBondContact O-N 3.21Å; A392-V395 PolarHBondContact O-N 2.84Å; A392-Q396 WeakPolarHBondContact O-CG 3.41Å; A392-Q396 PolarHBondContact O-N 2.69Å; A392-Q396 VanDerWaalsContact O-N 3.11Å
393A87.2Confident88.8Confident8 Ų834.1 Ų34.17%0.06616%0.159CC..Hα-helixtrans-63.4-37.1175.900000112.3A242 A295 T391 Q396 Q397A242-A393 HydrophobicContact CB-CB 3.85Å; A295-A393 HydrophobicContact CB-CB 4Å; T391-A393 PolarHBondContact O-N 3.35Å; T391-A393 PolarHBondContact OG1-N 2.8Å; A393-Q396 PolarHBondContact O-N 3.2Å; A393-Q397 WeakPolarHBondContact O-CB 3.4Å; A393-Q397 VanDerWaalsContact O-CG 3.29Å; A393-Q397 WeakPolarHBondContact O-CG 3.5Å; A393-Q397 PolarHBondContact O-N 2.92Å; A393-Q397 PolarHBondContact O-NE2 3.08Å; A393-Q397 VanDerWaalsContact O-NE2 3.13Å
394E89.7Confident87.1Confident2 Ų231.7 Ų31.71%0.00916%0.162CC..Hα-helixtrans-67.4-40.6177-172.5173.6179.500111.4L245 R251 R315 F360 S390 T391 A392 Q396 Q397 V398L245-E394 HydrophobicContact CD1-CG 3.99Å; L245-E394 HydrophobicContact CD2-CG 4.13Å; L245-E394 HydrophobicContact CG-CG 4.39Å; R251-E394 IonicContact NE-OE2 3.61Å; R251-E394 IonicContact NH2-OE2 2.7Å; R251-E394 PolarHBondContact NH2-OE2 3.45Å; R315-E394 VanDerWaalsContact CD-OE1 3.32Å; R315-E394 WeakPolarHBondContact CD-OE1 3.43Å; R315-E394 IonicContact CZ-OE1 3.57Å; R315-E394 IonicContact NH1-OE1 2.69Å; R315-E394 PolarHBondContact NH1-OE1 3.45Å; F360-E394 HydrophobicContact CE1-CG 4.46Å; S390-E394 VanDerWaalsContact OG-CB 3.31Å; S390-E394 WeakPolarHBondContact OG-CB 3.24Å; S390-E394 WeakPolarHBondContact OG-CG 3.3Å; S390-E394 PolarHBondContact OG-OE2 3.16Å; T391-E394 WeakPolarHBondContact O-CB 3.18Å; T391-E394 PolarHBondContact O-N 3.06Å; T391-E394 PolarHBondContact OG1-N 3.42Å; T391-E394 VanDerWaalsContact OG1-N 3.16Å; A392-E394 VanDerWaalsContact C-N 3.33Å; A392-E394 PolarHBondContact O-N 3.21Å; E394-Q396 PolarHBondContact O-N 3.1Å; E394-Q397 PolarHBondContact O-N 3.25Å; E394-V398 HydrophobicContact CG-CG2 4.48Å; E394-V398 WeakPolarHBondContact O-CG2 3.38Å; E394-V398 PolarHBondContact O-N 3.19Å
395V89.9Confident84.7Confident0 Ų028.8 Ų28.80%017%0.165CC..Hα-helixtrans-56.8-50.8173.6179.20000110.6V302 F305 I313 L346 F360 T391 A392 Q397 V398 L399V302-V395 HydrophobicContact CG1-CB 4.47Å; V302-V395 HydrophobicContact CG1-CG1 3.77Å; V302-V395 HydrophobicContact CG2-CG1 4.4Å; F305-V395 HydrophobicContact CD1-CG1 4.38Å; F305-V395 HydrophobicContact CE1-CG2 4.39Å; I313-V395 HydrophobicContact CD1-CG2 4.19Å; I313-V395 HydrophobicContact CG2-CG2 3.94Å; L346-V395 HydrophobicContact CD2-CG1 4.01Å; F360-V395 HydrophobicContact CB-CG2 4.41Å; F360-V395 HydrophobicContact CD1-CG2 3.6Å; F360-V395 HydrophobicContact CD2-CG1 4.23Å; F360-V395 HydrophobicContact CD2-CG2 4.23Å; F360-V395 HydrophobicContact CE1-CB 4.44Å; F360-V395 HydrophobicContact CE1-CG2 3.76Å; F360-V395 HydrophobicContact CE2-CB 4.44Å; F360-V395 HydrophobicContact CE2-CG1 4.35Å; F360-V395 HydrophobicContact CE2-CG2 4.38Å; F360-V395 HydrophobicContact CG-CG2 3.83Å; F360-V395 HydrophobicContact CZ-CB 4.36Å; F360-V395 HydrophobicContact CZ-CG2 4.15Å; T391-V395 PolarHBondContact O-N 3.29Å; T391-V395 VanDerWaalsContact O-N 3.08Å; A392-V395 PolarHBondContact O-N 2.84Å; V395-Q397 PolarHBondContact O-N 2.71Å; V395-V398 PolarHBondContact O-N 2.79Å; V395-L399 HydrophobicContact CG1-CD1 3.7Å; V395-L399 WeakPolarHBondContact O-CG 3.39Å; V395-L399 PolarHBondContact O-N 2.98Å
396Q87.6Confident82Confident12 Ų1234.2 Ų34.26%0.05620%0.201CC..Hα-helixtrans-59.2-48.3177.9-69.7-73.3-7.100112.1V302 A392 A393 E394 V398 L399 N400V302-Q396 VanDerWaalsContact CB-NE2 3.27Å; V302-Q396 HydrophobicContact CG1-CG 3.99Å; A392-Q396 WeakPolarHBondContact O-CG 3.41Å; A392-Q396 PolarHBondContact O-N 2.69Å; A392-Q396 VanDerWaalsContact O-N 3.11Å; A393-Q396 PolarHBondContact O-N 3.2Å; E394-Q396 PolarHBondContact O-N 3.1Å; Q396-V398 VanDerWaalsContact C-N 3.35Å; Q396-V398 PolarHBondContact O-N 3.43Å; Q396-L399 PolarHBondContact O-N 3.15Å; Q396-N400 VanDerWaalsContact O-CB 3.26Å; Q396-N400 WeakPolarHBondContact O-CB 3.31Å; Q396-N400 PolarHBondContact O-N 2.82Å; Q396-N400 PolarHBondContact O-ND2 2.86Å
397Q89.1Confident79.4Confident24 Ų2440.2 Ų40.211%0.11223%0.234CC..Hα-helixtrans-61.5-41.3-179.9-76.9172.276.700112.9L243 L245 I294 A393 E394 V395 R401L243-Q397 PolarHBondContact O-NE2 2.93Å; L245-Q397 HydrophobicContact CD1-CB 3.95Å; I294-Q397 HydrophobicContact CG2-CG 4.39Å; I294-Q397 VanDerWaalsContact O-CG 3.31Å; I294-Q397 WeakPolarHBondContact O-CG 2.97Å; A393-Q397 WeakPolarHBondContact O-CB 3.4Å; A393-Q397 VanDerWaalsContact O-CG 3.29Å; A393-Q397 WeakPolarHBondContact O-CG 3.5Å; A393-Q397 PolarHBondContact O-N 2.92Å; A393-Q397 PolarHBondContact O-NE2 3.08Å; A393-Q397 VanDerWaalsContact O-NE2 3.13Å; E394-Q397 PolarHBondContact O-N 3.25Å; V395-Q397 PolarHBondContact O-N 2.71Å; Q397-R401 PolarHBondContact O-N 3.45Å
398V89.5Confident76.6Confident0 Ų046.4 Ų46.40%027%0.265CS..Hα-helixtrans-67.8-46.4179.6171.80000110.2L245 V348 F360 E394 V395 Q396 R401 F402L245-V398 HydrophobicContact CD1-CG2 3.57Å; V348-V398 HydrophobicContact CB-CG1 4.46Å; V348-V398 HydrophobicContact CG1-CG1 3.86Å; V348-V398 HydrophobicContact CG2-CG1 3.86Å; F360-V398 HydrophobicContact CE2-CB 3.93Å; F360-V398 HydrophobicContact CE2-CG1 3.93Å; F360-V398 HydrophobicContact CE2-CG2 4.45Å; F360-V398 HydrophobicContact CZ-CB 3.79Å; F360-V398 HydrophobicContact CZ-CG1 4.13Å; F360-V398 HydrophobicContact CZ-CG2 3.84Å; E394-V398 HydrophobicContact CG-CG2 4.48Å; E394-V398 WeakPolarHBondContact O-CG2 3.38Å; E394-V398 PolarHBondContact O-N 3.19Å; V395-V398 PolarHBondContact O-N 2.79Å; Q396-V398 VanDerWaalsContact C-N 3.35Å; Q396-V398 PolarHBondContact O-N 3.43Å; V398-R401 WeakPolarHBondContact O-CB 3.3Å; V398-R401 PolarHBondContact O-N 2.86Å; V398-F402 HydrophobicContact CG1-CD2 4.07Å; V398-F402 HydrophobicContact CG1-CE2 4.06Å; V398-F402 WeakPolarHBondContact O-CD2 3.16Å; V398-F402 PolarHBondContact O-N 3.48Å
399L87.1Confident73.8Confident18 Ų1849.9 Ų49.99%0.09429%0.292CS..Hα-helixtrans-67.6-41.7-179.6-70.7164000112.2V302 L346 V348 V395 Q396 R401 F402 S403V302-L399 HydrophobicContact CG2-CD1 3.24Å; L346-L399 HydrophobicContact CD2-CD1 3.7Å; V348-L399 HydrophobicContact CG1-CD2 4.25Å; V348-L399 HydrophobicContact CG2-CD2 4.21Å; V395-L399 HydrophobicContact CG1-CD1 3.7Å; V395-L399 WeakPolarHBondContact O-CG 3.39Å; V395-L399 PolarHBondContact O-N 2.98Å; Q396-L399 PolarHBondContact O-N 3.15Å; L399-R401 PolarHBondContact O-N 3.43Å; L399-F402 CarbonylContact O-C 3.55Å; L399-F402 PolarHBondContact O-N 3.28Å; L399-S403 WeakPolarHBondContact O-CB 3.16Å; L399-S403 PolarHBondContact O-N 3.1Å; L399-S403 PolarHBondContact O-OG 2.73Å; L399-S403 VanDerWaalsContact O-OG 3.1Å
400N84.8Confident71.2Confident63 Ų6356 Ų5634%0.33733%0.326SS..Hα-helixtrans-60.6-31.9175.9-73.4-19000112.8Q396 S403 S404Q396-N400 VanDerWaalsContact O-CB 3.26Å; Q396-N400 WeakPolarHBondContact O-CB 3.31Å; Q396-N400 PolarHBondContact O-N 2.82Å; Q396-N400 PolarHBondContact O-ND2 2.86Å; N400-S403 VanDerWaalsContact CA-OG 3.31Å; N400-S403 WeakPolarHBondContact CA-OG 3.35Å; N400-S403 PolarHBondContact O-OG 2.72Å; N400-S404 PolarHBondContact O-OG 3.13Å
401R83.9Confident68.5Low71 Ų7161.2 Ų61.227%0.26836%0.359SS..Hα-helixtrans-64.2-44.2174.2-177.4-172.6-67.9104.69.9111.3N246 A247 Q397 V398 L399N246-R401 PolarHBondContact O-NH2 3.43Å; A247-R401 PolarHBondContact O-NE 3.05Å; A247-R401 VanDerWaalsContact O-NE 3.1Å; Q397-R401 PolarHBondContact O-N 3.45Å; V398-R401 WeakPolarHBondContact O-CB 3.3Å; V398-R401 PolarHBondContact O-N 2.86Å; L399-R401 PolarHBondContact O-N 3.43Å
402F81.2Confident66.1Low34 Ų3466.9 Ų66.915%0.14939%0.394CS..Hα-helixtrans-91.2-14.5-173.4-67.7-71000113.7V348 Y350 P351 T356 V398 L399V348-F402 HydrophobicContact CG1-CB 4.21Å; V348-F402 HydrophobicContact CG1-CD2 3.4Å; V348-F402 HydrophobicContact CG1-CE2 4.01Å; V348-F402 HydrophobicContact CG1-CG 4.03Å; Y350-F402 AromaticContact CD1-CD1 3.94Å; Y350-F402 HydrophobicContact CD1-CD1 3.94Å; Y350-F402 AromaticContact CE1-CD1 3.53Å; Y350-F402 HydrophobicContact CE1-CD1 3.53Å; Y350-F402 AromaticContact CE1-CE1 3.82Å; Y350-F402 HydrophobicContact CE1-CE1 3.82Å; Y350-F402 AromaticContact CZ-CD1 3.95Å; Y350-F402 AromaticContact CZ-CE1 3.84Å; P351-F402 WeakPolarHBondContact CD-O 3.31Å; P351-F402 WeakPolarHBondContact CG-O 3.41Å; T356-F402 HydrophobicContact CG2-CD1 3.62Å; T356-F402 HydrophobicContact CG2-CD2 4.14Å; T356-F402 HydrophobicContact CG2-CE1 3.71Å; T356-F402 HydrophobicContact CG2-CE2 4.22Å; T356-F402 HydrophobicContact CG2-CG 3.85Å; T356-F402 HydrophobicContact CG2-CZ 4.02Å; V398-F402 HydrophobicContact CG1-CD2 4.07Å; V398-F402 HydrophobicContact CG1-CE2 4.06Å; V398-F402 WeakPolarHBondContact O-CD2 3.16Å; V398-F402 PolarHBondContact O-N 3.48Å; L399-F402 CarbonylContact O-C 3.55Å; L399-F402 PolarHBondContact O-N 3.28Å
403S73.4Confident63.8Low75 Ų7571.7 Ų71.752%0.52443%0.425SS..Hα-helixtrans-77.8-22170.560.60000112.9L399 N400L399-S403 WeakPolarHBondContact O-CB 3.16Å; L399-S403 PolarHBondContact O-N 3.1Å; L399-S403 PolarHBondContact O-OG 2.73Å; L399-S403 VanDerWaalsContact O-OG 3.1Å; N400-S403 VanDerWaalsContact CA-OG 3.31Å; N400-S403 WeakPolarHBondContact CA-OG 3.35Å; N400-S403 PolarHBondContact O-OG 2.72Å
404S58.2Low61.3Low79 Ų7976.4 Ų76.455%0.55245%0.454SS*.SBendtrans-82.6115.4177.3-56.70000110.6N400N400-S404 PolarHBondContact O-OG 3.13Å
405A44.7Very low59.2Low72 Ų7284.6 Ų84.660%0.59550%0.496SS*.  trans-56.9141.5171.100000110.2L407A405-L407 PolarHBondContact O-N 2.84Å; A405-L407 VanDerWaalsContact O-N 3.11Å
406P40.7Very low56.6Low114 Ų11490.6 Ų90.674%0.7453%0.527SS*.  trans-59.7121.4167.8-313.2000108.1I408P406-I408 PolarHBondContact O-N 3.11Å
407L38.4Very low54.1Low179 Ų17995.7 Ų95.794%0.93756%0.562SS**SBendtrans-67.221.1174.5-82.8165000113.6A405A405-L407 PolarHBondContact O-N 2.84Å; A405-L407 VanDerWaalsContact O-N 3.11Å
408I36.3Very low51.6Low134 Ų134101.2 Ų101.269%0.68760%0.597SS**SBendtrans-125.6106.1173.7-52.5177.9000106.9P406 L410P406-I408 PolarHBondContact O-N 3.11Å; I408-L410 PolarHBondContact O-N 3.26Å; I408-L410 VanDerWaalsContact O-N 3.1Å
409P32.5Very low48.9Very low113 Ų113108.7 Ų108.773%0.73464%0.636SS**PPolyproline II helixtrans-59.1116.2160.7-923.2000106.2P411P409-P411 VanDerWaalsContact O-CD 3.3Å; P409-P411 WeakPolarHBondContact O-CD 3.36Å; P409-P411 VanDerWaalsContact O-N 3.15Å
410L35.6Very low46.5Very low156 Ų156113.6 Ų113.682%0.81767%0.668SS**PPolyproline II helixtrans-58.3118.4157.8-80.7158.3000105.3I408 T412I408-L410 PolarHBondContact O-N 3.26Å; I408-L410 VanDerWaalsContact O-N 3.1Å; L410-T412 PolarHBondContact O-N 3.1Å
411P33.1Very low44Very low114 Ų114119.7 Ų119.774%0.7470%0.695SS**PPolyproline II helixtrans-62.1117.9-177.822.9-29.9000108.1P409P409-P411 VanDerWaalsContact O-CD 3.3Å; P409-P411 WeakPolarHBondContact O-CD 3.36Å; P409-P411 VanDerWaalsContact O-N 3.15Å
412T39.5Very low41.5Very low126 Ų126125.1 Ų125.177%0.77372%0.724SS**PPolyproline II helixtrans-58125.6163.839.90000107.5L410L410-T412 PolarHBondContact O-N 3.1Å
413P36.7Very low39.2Very low112 Ų112133.5 Ų133.573%0.72776%0.76SS**PPolyproline II helixtrans-61.1138.1178.724.6-31.1000109.3
414P36Very low37.4Very low106 Ų106136 Ų13669%0.68877%0.772SS**PPolyproline II helixtrans-68.1137.6-179.327.9-31.7000109.9I416P414-I416 HydrophobicContact CB-CG1 4.47Å; P414-I416 HydrophobicContact CG-CD1 4.48Å; P414-I416 HydrophobicContact CG-CG1 4.49Å; P414-I416 PolarHBondContact O-N 3.48Å
415I44.4Very low36.2Very low174 Ų174136.7 Ų136.789%0.89277%0.774SS**  trans-77.5106.4170.1-59.9169.8000106.6
416I36.2Very low35.7Very low127 Ų127139.3 Ų139.365%0.65179%0.785SS**PPolyproline II helixtrans-102.7136174.8-57.2176.5000108.5P414P414-I416 HydrophobicContact CB-CG1 4.47Å; P414-I416 HydrophobicContact CG-CD1 4.48Å; P414-I416 HydrophobicContact CG-CG1 4.49Å; P414-I416 PolarHBondContact O-N 3.48Å
417P35.8Very low35.5Very low119 Ų119139.7 Ų139.777%0.77379%0.786SS**PPolyproline II helixtrans-67.9135.8178.3-9.324.7000111L419P417-L419 PolarHBondContact O-N 3.37Å
418V35.9Very low36.1Very low140 Ų140139 Ų13985%0.84878%0.783SS**PPolyproline II helixtrans-73.9120.4-173.8-177.50000111
419L33.3Very low36.8Very low156 Ų156135.6 Ų135.682%0.81777%0.768SS**  trans-106.6144.2153.2-116.5102.5000108.8P417 Q421P417-L419 PolarHBondContact O-N 3.37Å; L419-Q421 PolarHBondContact O-N 3.15Å
420P35.9Very low37.9Very low121 Ų121140.6 Ų140.679%0.78677%0.773SS**  trans-80.1107.6-170.331.1-30.9000110.4
421Q32.5Very low39.5Very low191 Ų191134.9 Ų134.989%0.89374%0.743SS**  trans-124.9144162.1-88-170.5-28.300111.7L419L419-Q421 PolarHBondContact O-N 3.15Å
422Q31.3Very low41.3Very low186 Ų186132.9 Ų132.987%0.86973%0.731SS**  trans-36.4136.2-169-70.6163-17.300116.5V424Q422-V424 PolarHBondContact O-N 3.13Å
423F33.5Very low43.1Very low209 Ų209128 Ų12892%0.91770%0.7SS**  trans-47113.9173.2-113.6-105000112.5
424V35.1Very low45Very low129 Ų129129.1 Ų129.178%0.78269%0.69SS**  trans-126.1119.7153.4-172.50000106.7Q422Q422-V424 PolarHBondContact O-N 3.13Å
425P32.5Very low47Very low92 Ų92125.1 Ų125.160%0.59766%0.662SS**  trans-75.2148.6-178.123.5-21.2000111.5T427P425-T427 PolarHBondContact O-N 2.75Å
426P34.8Very low48.6Very low127 Ų127125 Ų12583%0.82565%0.65SS**  trans-76.3115.7176.729.6-31000110.5N428P426-N428 PolarHBondContact O-N 2.94Å
427T37.2Very low50.3Low122 Ų122121.9 Ų121.975%0.74865%0.65SS**  trans-84.787.1174.544.60000110.2P425 V429P425-T427 PolarHBondContact O-N 2.75Å; T427-V429 VanDerWaalsContact C-N 3.34Å; T427-V429 HydrophobicContact CG2-CG2 4.21Å; T427-V429 PolarHBondContact O-N 3.14Å; T427-V429 VanDerWaalsContact O-N 3.16Å
428N50.8Low52.2Low166 Ų166116.6 Ų116.689%0.88862%0.615SS**  trans-83.979.8168.4-143.4-10.3000109.3P426P426-N428 PolarHBondContact O-N 2.94Å
429V50Low54.2Low61 Ų61111.9 Ų111.937%0.3759%0.588SS.*  trans-112.9110.8-164.6-178.30000109.6T427 D431 P485T427-V429 VanDerWaalsContact C-N 3.34Å; T427-V429 HydrophobicContact CG2-CG2 4.21Å; T427-V429 PolarHBondContact O-N 3.14Å; T427-V429 VanDerWaalsContact O-N 3.16Å; V429-D431 WeakPolarHBondContact CG1-OD1 3.12Å; V429-D431 PolarHBondContact O-N 3.35Å; V429-P485 HydrophobicContact CB-CG 4.48Å; V429-P485 HydrophobicContact CG1-CB 3.24Å; V429-P485 HydrophobicContact CG1-CG 3.11Å
430R56.3Low55.9Low218 Ų218113.4 Ų113.482%0.82358%0.584SS**  trans-82.691.8177.9-72.3-176179.5174.91.7109.8P488R430-P488 WeakPolarHBondContact O-CG 3.41Å
431D68.3Low57.8Low37 Ų37111.5 Ų111.520%0.19858%0.579CS.*  trans-89.63.2-178.1-68.8-19.2000114.7V429 R459 F482 P485V429-D431 WeakPolarHBondContact CG1-OD1 3.12Å; V429-D431 PolarHBondContact O-N 3.35Å; D431-R459 IonicContact OD2-NH2 3.91Å; D431-R459 PolarHBondContact OD2-NH2 2.92Å; D431-F482 PolarHBondContact O-N 3.37Å; D431-P485 WeakPolarHBondContact OD1-CA 3.39Å
432C70.4Confident59.9Low72 Ų72102.6 Ų102.649%0.48654%0.538SS..EExtended strand (participates in β ladder)trans-128.5142.1-173.6-55.40000113.5V479 C480 S481C432-V479 HydrophobicContact CB-CG1 4.34Å; C432-C480 CarbonylContact C-O 3.56Å; C432-C480 VanDerWaalsContact CA-O 3.25Å; C432-C480 WeakPolarHBondContact CA-O 3.13Å; C432-S481 PolarHBondContact SG-OG 3.06Å
433I77.3Confident62.3Low24 Ų2496.8 Ų96.812%0.12352%0.515CS..EExtended strand (participates in β ladder)trans-115.3143174.6-57.5173.2000109.4L435 V479 C480 F482 P488 I491I433-L435 HydrophobicContact CG2-CD2 4.03Å; I433-V479 CarbonylContact O-C 3.53Å; I433-V479 WeakPolarHBondContact O-CA 3.34Å; I433-C480 PolarHBondContact N-O 2.64Å; I433-C480 PolarHBondContact O-N 3.32Å; I433-F482 HydrophobicContact CB-CE2 4.1Å; I433-F482 HydrophobicContact CD1-CD2 4.18Å; I433-F482 HydrophobicContact CD1-CE2 3.36Å; I433-F482 HydrophobicContact CD1-CZ 3.73Å; I433-F482 HydrophobicContact CG1-CD2 4.25Å; I433-F482 HydrophobicContact CG1-CE2 3.68Å; I433-P488 HydrophobicContact CD1-CB 3.92Å; I433-P488 HydrophobicContact CD1-CG 4.32Å; I433-P488 HydrophobicContact CG1-CB 3.66Å; I433-P488 HydrophobicContact CG1-CG 4.12Å; I433-I491 HydrophobicContact CD1-CB 4.02Å; I433-I491 HydrophobicContact CD1-CD1 3.45Å; I433-I491 VanDerWaalsContact CD1-CD1 3.45Å; I433-I491 HydrophobicContact CD1-CG1 4.3Å; I433-I491 HydrophobicContact CD1-CG2 4.22Å
434R77.9Confident64.6Low135 Ų13590.9 Ų90.951%0.50949%0.492SS..EExtended strand (participates in β ladder)trans-114.1115174.5-179.1176.8173168.65110.6C478 V479R434-C478 WeakPolarHBondContact CA-O 3.38Å; R434-V479 HydrophobicContact CG-CG2 4.32Å
435L76.6Confident66.8Low22 Ų2291.5 Ų91.512%0.11549%0.487CS..EExtended strand (participates in β ladder)trans-89.6144.3173.4-52.5179.9000110.3I433 L438 I447 F450 K477 C478I433-L435 HydrophobicContact CG2-CD2 4.03Å; L435-L438 HydrophobicContact CB-CD2 4.48Å; L435-I447 HydrophobicContact CD1-CG2 4.16Å; L435-F450 HydrophobicContact CD1-CD1 4.21Å; L435-F450 HydrophobicContact CD1-CE1 4.25Å; L435-F450 HydrophobicContact CD2-CE1 4.31Å; L435-K477 WeakPolarHBondContact O-CA 3.35Å; L435-C478 VanDerWaalsContact CB-SG 3.58Å; L435-C478 PolarHBondContact N-O 3.04Å; L435-C478 PolarHBondContact O-N 3.22Å; L435-C478 VanDerWaalsContact O-N 3.14Å
436R79.6Confident69.1Low170 Ų17089.3 Ų89.364%0.64247%0.47SS*.EExtended strand (participates in β ladder)trans-137.4149.8177.3-60.2-173.1-176.9179.52.9109.4G476 K477R436-G476 CarbonylContact C-O 3.59Å; R436-G476 WeakPolarHBondContact CA-O 3.49Å; R436-K477 HydrophobicContact CG-CG 4.23Å
437G72.3Confident71.3Confident63 Ų6383.3 Ų83.365%0.64943%0.431SS*.  trans86.121-179.300000114.2G476G437-G476 PolarHBondContact N-O 2.93Å
438L75.1Confident73.5Confident7 Ų780.3 Ų80.34%0.03741%0.41CS..  trans-67.3140.8175.8-57.6169.5000110.1L435 A442 I447 M465 G476 C478 F496L435-L438 HydrophobicContact CB-CD2 4.48Å; L438-A442 HydrophobicContact CB-CB 4.21Å; L438-I447 HydrophobicContact CD1-CD1 4.03Å; L438-I447 HydrophobicContact CD1-CG1 4.42Å; L438-M465 HydrophobicContact CD1-CE 4.44Å; L438-G476 PolarHBondContact N-O 2.87Å; L438-G476 VanDerWaalsContact N-O 3.13Å; L438-G476 WeakPolarHBondContact O-CA 3.29Å; L438-C478 HydrophobicContact CD1-CB 3.79Å; L438-F496 HydrophobicContact CD2-CB 4.27Å; L438-F496 HydrophobicContact CD2-CD1 3.92Å; L438-F496 HydrophobicContact CD2-CD2 3.62Å; L438-F496 HydrophobicContact CD2-CE1 4.14Å; L438-F496 HydrophobicContact CD2-CE2 3.83Å; L438-F496 HydrophobicContact CD2-CG 3.68Å; L438-F496 HydrophobicContact CD2-CZ 4.1Å
439P76.8Confident74.9Confident42 Ų4278.4 Ų78.427%0.27340%0.4SS..  trans-55.9149170.4-26.836.9000112A441 A442 L498P439-A441 PolarHBondContact O-N 3.02Å; P439-A441 VanDerWaalsContact O-N 3.15Å; P439-A442 HydrophobicContact CB-CB 4.5Å; P439-A442 VanDerWaalsContact O-CB 3.23Å; P439-A442 WeakPolarHBondContact O-CB 3.3Å; P439-A442 PolarHBondContact O-N 3.21Å; P439-L498 HydrophobicContact CB-CD1 3.73Å; P439-L498 HydrophobicContact CG-CD1 3.6Å; P439-L498 HydrophobicContact CG-CG 3.95Å
440Y70.5Confident76.4Confident187 Ų18778.2 Ų78.273%0.73339%0.394SS*.THydrogen-bonded Turntrans-63.5-21-178.6-68.4-78.3000113.8V474Y440-V474 WeakPolarHBondContact CD1-O 3.39Å
441A74.7Confident77.4Confident82 Ų8268 Ų6868%0.67836%0.356SS*.THydrogen-bonded Turntrans-93-0.4176.400000114P439 T443P439-A441 PolarHBondContact O-N 3.02Å; P439-A441 VanDerWaalsContact O-N 3.15Å; A441-T443 PolarHBondContact O-N 3.43Å
442A76.9Confident78Confident4 Ų468.1 Ų68.13%0.03337%0.365CS..  trans-65.6130.6-175.800000112.1L438 P439 M465L438-A442 HydrophobicContact CB-CB 4.21Å; P439-A442 HydrophobicContact CB-CB 4.5Å; P439-A442 VanDerWaalsContact O-CB 3.23Å; P439-A442 WeakPolarHBondContact O-CB 3.3Å; P439-A442 PolarHBondContact O-N 3.21Å; A442-M465 WeakPolarHBondContact O-CE 3.42Å
443T82.4Confident78.2Confident63 Ų6372.9 Ų72.939%0.38738%0.38SS..  trans-97.4175178.768.10000111.4A441 E445 D446 I447A441-T443 PolarHBondContact O-N 3.43Å; T443-E445 VanDerWaalsContact C-N 3.29Å; T443-E445 PolarHBondContact OG1-N 2.93Å; T443-D446 WeakPolarHBondContact CB-OD2 3.5Å; T443-D446 PolarHBondContact N-OD2 3.47Å; T443-D446 VanDerWaalsContact OG1-CG 3.27Å; T443-D446 PolarHBondContact OG1-N 2.87Å; T443-D446 PolarHBondContact OG1-OD2 3.04Å; T443-I447 WeakPolarHBondContact O-CG1 3.34Å
444I80.7Confident78.2Confident85 Ų8575.6 Ų75.644%0.43639%0.391SS..Hα-helixtrans-66.5-36172.8-64.7174.4000110.2D446 I447 L448 V463 M465I444-D446 PolarHBondContact O-N 3.08Å; I444-I447 WeakPolarHBondContact O-CB 3.23Å; I444-I447 PolarHBondContact O-N 3.39Å; I444-I447 VanDerWaalsContact O-N 3.13Å; I444-L448 HydrophobicContact CG2-CD1 4.2Å; I444-L448 HydrophobicContact CG2-CG 4.33Å; I444-L448 WeakPolarHBondContact O-CG 3.42Å; I444-L448 PolarHBondContact O-N 3.23Å; I444-V463 HydrophobicContact CG2-CB 4.3Å; I444-V463 HydrophobicContact CG2-CG1 4.29Å; I444-M465 HydrophobicContact CG1-CG 4.08Å
445E81.4Confident78.1Confident143 Ų14370.9 Ų70.967%0.66838%0.379SS*.Hα-helixtrans-60.3-45.7177.9-71.1159.9-171.900110.9T443 I447 L448 D449T443-E445 VanDerWaalsContact C-N 3.29Å; T443-E445 PolarHBondContact OG1-N 2.93Å; E445-I447 PolarHBondContact O-N 3.01Å; E445-I447 VanDerWaalsContact O-N 3.15Å; E445-L448 PolarHBondContact O-N 3.01Å; E445-L448 VanDerWaalsContact O-N 3.08Å; E445-D449 PolarHBondContact O-N 2.96Å
446D81.1Confident78Confident46 Ų4675.2 Ų75.225%0.24641%0.407CS..Hα-helixtrans-59.6-30.9176.7-56.9-53.7000112.9T443 I444 F450 F496 L498T443-D446 WeakPolarHBondContact CB-OD2 3.5Å; T443-D446 PolarHBondContact N-OD2 3.47Å; T443-D446 VanDerWaalsContact OG1-CG 3.27Å; T443-D446 PolarHBondContact OG1-N 2.87Å; T443-D446 PolarHBondContact OG1-OD2 3.04Å; I444-D446 PolarHBondContact O-N 3.08Å; D446-F450 VanDerWaalsContact O-CB 3.31Å; D446-F450 WeakPolarHBondContact O-CB 3.47Å; D446-F450 PolarHBondContact O-N 3.03Å; D446-F496 HydrophobicContact CB-CZ 3.96Å; D446-F496 WeakPolarHBondContact O-CE2 3.46Å; D446-F496 WeakPolarHBondContact O-CZ 3.31Å; D446-L498 HydrophobicContact CB-CD2 4.25Å
447I82Confident77.7Confident0 Ų068.7 Ų68.70%039%0.385CS..Hα-helixtrans-77-39.8178.3-66.1164.2000111L435 L438 T443 I444 E445 D449 L451 V463 M465 C478 F496L435-I447 HydrophobicContact CD1-CG2 4.16Å; L438-I447 HydrophobicContact CD1-CD1 4.03Å; L438-I447 HydrophobicContact CD1-CG1 4.42Å; T443-I447 WeakPolarHBondContact O-CG1 3.34Å; I444-I447 WeakPolarHBondContact O-CB 3.23Å; I444-I447 PolarHBondContact O-N 3.39Å; I444-I447 VanDerWaalsContact O-N 3.13Å; E445-I447 PolarHBondContact O-N 3.01Å; E445-I447 VanDerWaalsContact O-N 3.15Å; I447-D449 VanDerWaalsContact C-N 3.34Å; I447-L451 HydrophobicContact CG2-CD1 3.9Å; I447-L451 WeakPolarHBondContact O-CB 3.42Å; I447-L451 WeakPolarHBondContact O-CG 3.35Å; I447-L451 PolarHBondContact O-N 3.13Å; I447-V463 HydrophobicContact CD1-CG1 4.25Å; I447-V463 HydrophobicContact CG2-CG1 4.22Å; I447-M465 HydrophobicContact CD1-CE 3.52Å; I447-M465 HydrophobicContact CD1-SD 3.15Å; I447-M465 WeakPolarHBondContact CD1-SD 3.46Å; I447-C478 HydrophobicContact CD1-CB 4Å; I447-F496 HydrophobicContact CG1-CE2 4.47Å
448L81.6Confident78Confident59 Ų5966.6 Ų66.631%0.30936%0.358SS..Hα-helixtrans-65.5-42.4175.7-63.8176.6000110.3I444 E445 L451 G452 S455 I458 V463I444-L448 HydrophobicContact CG2-CD1 4.2Å; I444-L448 HydrophobicContact CG2-CG 4.33Å; I444-L448 WeakPolarHBondContact O-CG 3.42Å; I444-L448 PolarHBondContact O-N 3.23Å; E445-L448 PolarHBondContact O-N 3.01Å; E445-L448 VanDerWaalsContact O-N 3.08Å; L448-L451 CarbonylContact O-C 3.49Å; L448-L451 PolarHBondContact O-N 2.89Å; L448-G452 PolarHBondContact O-N 2.77Å; L448-S455 WeakPolarHBondContact O-CB 3.49Å; L448-I458 HydrophobicContact CD2-CD1 3.66Å; L448-V463 HydrophobicContact CD2-CG2 4.11Å
449D80.9Confident78.1Confident127 Ų12771.8 Ų71.868%0.67938%0.377SS*.Hα-helixtrans-63.3-44.2176.1-75.7-7.9000112E445 I447 L451 G452E445-D449 PolarHBondContact O-N 2.96Å; I447-D449 VanDerWaalsContact C-N 3.34Å; D449-L451 VanDerWaalsContact C-N 3.3Å; D449-L451 PolarHBondContact O-N 3.04Å; D449-G452 WeakPolarHBondContact O-CA 3.15Å; D449-G452 PolarHBondContact O-N 3.08Å
450F81.1Confident77.8Confident56 Ų5676 Ų7625%0.24640%0.402CS..Hα-helixtrans-62.4-35.8174.6173-100.1000113.3L435 D446 G452 Q494 F496L435-F450 HydrophobicContact CD1-CD1 4.21Å; L435-F450 HydrophobicContact CD1-CE1 4.25Å; L435-F450 HydrophobicContact CD2-CE1 4.31Å; D446-F450 VanDerWaalsContact O-CB 3.31Å; D446-F450 WeakPolarHBondContact O-CB 3.47Å; D446-F450 PolarHBondContact O-N 3.03Å; F450-G452 PolarHBondContact O-N 3.15Å; F450-Q494 HydrophobicContact CZ-CB 4.35Å; F450-F496 HydrophobicContact CB-CD2 3.6Å; F450-F496 HydrophobicContact CB-CE2 3.19Å; F450-F496 HydrophobicContact CB-CZ 4.13Å; F450-F496 AromaticContact CD1-CD2 3.54Å; F450-F496 HydrophobicContact CD1-CD2 3.54Å; F450-F496 AromaticContact CD1-CE2 3.91Å; F450-F496 HydrophobicContact CD1-CE2 3.91Å; F450-F496 HydrophobicContact CD2-CB 4.29Å; F450-F496 AromaticContact CD2-CD2 3.34Å; F450-F496 HydrophobicContact CD2-CD2 3.34Å; F450-F496 AromaticContact CD2-CE2 3.89Å; F450-F496 HydrophobicContact CD2-CE2 3.89Å; F450-F496 HydrophobicContact CD2-CG 4.02Å; F450-F496 AromaticContact CE1-CD2 3.99Å; F450-F496 HydrophobicContact CE1-CD2 3.99Å; F450-F496 HydrophobicContact CE2-CB 4.02Å; F450-F496 AromaticContact CE2-CD2 3.83Å; F450-F496 HydrophobicContact CE2-CD2 3.83Å; F450-F496 HydrophobicContact CE2-CG 4.26Å; F450-F496 AromaticContact CG-CD2 3.18Å; F450-F496 HydrophobicContact CG-CD2 3.18Å; F450-F496 AromaticContact CG-CE2 3.39Å; F450-F496 HydrophobicContact CG-CE2 3.39Å; F450-F496 HydrophobicContact CG-CG 4.27Å; F450-F496 HydrophobicContact CZ-CB 4.3Å; F450-F496 HydrophobicContact CZ-CD2 4.13Å
451L78.4Confident78Confident5 Ų575.4 Ų75.43%0.02641%0.406CS..Hα-helixtrans-76.3-12.2176.2-68.2171.4000112I447 L448 D449 E453 F454 I458 C480 F482 I491I447-L451 HydrophobicContact CG2-CD1 3.9Å; I447-L451 WeakPolarHBondContact O-CB 3.42Å; I447-L451 WeakPolarHBondContact O-CG 3.35Å; I447-L451 PolarHBondContact O-N 3.13Å; L448-L451 CarbonylContact O-C 3.49Å; L448-L451 PolarHBondContact O-N 2.89Å; D449-L451 VanDerWaalsContact C-N 3.3Å; D449-L451 PolarHBondContact O-N 3.04Å; L451-E453 PolarHBondContact O-N 2.75Å; L451-F454 VanDerWaalsContact O-CB 3.29Å; L451-F454 WeakPolarHBondContact O-CB 3.5Å; L451-F454 WeakPolarHBondContact O-CD2 3.28Å; L451-F454 PolarHBondContact O-N 3.27Å; L451-I458 HydrophobicContact CD1-CD1 3.51Å; L451-C480 HydrophobicContact CD1-CB 4.33Å; L451-F482 HydrophobicContact CD1-CZ 4.32Å; L451-F482 HydrophobicContact CD2-CZ 4.46Å; L451-I491 HydrophobicContact CD2-CD1 4.31Å; L451-I491 HydrophobicContact CD2-CG2 4.44Å
452G80.3Confident78Confident38 Ų3871.8 Ų71.839%0.39238%0.376SS..G310 helixtrans52.2-126.917200000112.2L448 D449 F450 F454 S455L448-G452 PolarHBondContact O-N 2.77Å; D449-G452 WeakPolarHBondContact O-CA 3.15Å; D449-G452 PolarHBondContact O-N 3.08Å; F450-G452 PolarHBondContact O-N 3.15Å; G452-F454 PolarHBondContact O-N 3.5Å; G452-S455 VanDerWaalsContact O-CB 3.26Å; G452-S455 WeakPolarHBondContact O-CB 3.36Å; G452-S455 PolarHBondContact O-N 3.34Å; G452-S455 PolarHBondContact O-OG 2.86Å
453E75.4Confident78.2Confident173 Ų17372.6 Ų72.681%0.80838%0.381SS*.G310 helixtrans-60.7-26179.8-61.5-17817100113.3L451 S455 T456L451-E453 PolarHBondContact O-N 2.75Å; E453-S455 VanDerWaalsContact C-N 3.25Å; E453-S455 PolarHBondContact O-N 2.87Å; E453-T456 PolarHBondContact O-OG1 3.5Å
454F76.3Confident78.1Confident80 Ų8074.8 Ų74.835%0.35139%0.387SS..G310 helixtrans-74.1-14.5178-54.9-73.3000113L451 G452 T456 D457 F482 A487 I491L451-F454 VanDerWaalsContact O-CB 3.29Å; L451-F454 WeakPolarHBondContact O-CB 3.5Å; L451-F454 WeakPolarHBondContact O-CD2 3.28Å; L451-F454 PolarHBondContact O-N 3.27Å; G452-F454 PolarHBondContact O-N 3.5Å; F454-T456 PolarHBondContact O-N 3.24Å; F454-D457 PolarHBondContact O-N 3.4Å; F454-F482 HydrophobicContact CB-CE1 4.25Å; F454-F482 WeakPolarHBondContact O-CE1 3.49Å; F454-A487 HydrophobicContact CD1-CB 4.36Å; F454-I491 HydrophobicContact CB-CD1 4Å; F454-I491 HydrophobicContact CD1-CD1 4.31Å; F454-I491 HydrophobicContact CD2-CD1 4.05Å; F454-I491 HydrophobicContact CD2-CG1 4.02Å; F454-I491 HydrophobicContact CE2-CG1 4.19Å; F454-I491 HydrophobicContact CG-CD1 3.86Å; F454-I491 HydrophobicContact CG-CG1 4.26Å
455S75.5Confident78Confident37 Ų3772.7 Ų72.726%0.25938%0.376SS..G310 helixtrans-62.6-28.6177.366.40000112.9L448 G452 E453 D457 I458L448-S455 WeakPolarHBondContact O-CB 3.49Å; G452-S455 VanDerWaalsContact O-CB 3.26Å; G452-S455 WeakPolarHBondContact O-CB 3.36Å; G452-S455 PolarHBondContact O-N 3.34Å; G452-S455 PolarHBondContact O-OG 2.86Å; E453-S455 VanDerWaalsContact C-N 3.25Å; E453-S455 PolarHBondContact O-N 2.87Å; S455-D457 PolarHBondContact O-N 3.31Å; S455-I458 WeakPolarHBondContact O-CB 3.31Å; S455-I458 WeakPolarHBondContact O-CG1 3.49Å; S455-I458 PolarHBondContact O-N 3.18Å; S455-I458 VanDerWaalsContact O-N 3.15Å
456T74.4Confident77.8Confident112 Ų11268.8 Ų68.869%0.68736%0.361SS*.G310 helixtrans-67.1-23.1178.961.80000113.3E453 F454E453-T456 PolarHBondContact O-OG1 3.5Å; F454-T456 PolarHBondContact O-N 3.24Å
457D74.6Confident77.3Confident34 Ų3471.6 Ų71.618%0.18238%0.376CS..G310 helixtrans-92.23.7177.7-80-32.9000112.5F454 S455 F482 L483 R484F454-D457 PolarHBondContact O-N 3.4Å; S455-D457 PolarHBondContact O-N 3.31Å; D457-F482 HydrophobicContact CB-CD1 4.1Å; D457-F482 CarbonylContact O-C 3.57Å; D457-F482 VanDerWaalsContact O-CA 3.31Å; D457-F482 WeakPolarHBondContact O-CA 3.2Å; D457-L483 WeakPolarHBondContact O-CB 3.41Å; D457-L483 PolarHBondContact O-N 3.32Å; D457-R484 IonicContact OD1-NH1 3.34Å
458I78.5Confident76.3Confident19 Ų1974.6 Ų74.610%0.09739%0.392CS..EExtended strand (participates in β ladder)trans-77.9137.7176.8-61.4174.2000109.8L448 L451 S455 V463 F482L448-I458 HydrophobicContact CD2-CD1 3.66Å; L451-I458 HydrophobicContact CD1-CD1 3.51Å; S455-I458 WeakPolarHBondContact O-CB 3.31Å; S455-I458 WeakPolarHBondContact O-CG1 3.49Å; S455-I458 PolarHBondContact O-N 3.18Å; S455-I458 VanDerWaalsContact O-N 3.15Å; I458-V463 HydrophobicContact CD1-CG2 4.22Å; I458-V463 HydrophobicContact CG2-CG2 3.93Å; I458-F482 HydrophobicContact CD1-CE1 4.41Å; I458-F482 HydrophobicContact CG1-CD1 3.98Å; I458-F482 HydrophobicContact CG1-CE1 3.64Å; I458-F482 HydrophobicContact CG1-CZ 4.06Å
459R77.6Confident74.8Confident115 Ų11581.2 Ų81.243%0.43442%0.421SS..EExtended strand (participates in β ladder)trans-60.7147.6174.9-64-177.6-172.3-162.51.3109.9D431 H461 G462 S481 F482 L483D431-R459 IonicContact OD2-NH2 3.91Å; D431-R459 PolarHBondContact OD2-NH2 2.92Å; R459-H461 PolarHBondContact O-N 2.97Å; R459-G462 WeakPolarHBondContact O-CA 3.48Å; R459-G462 PolarHBondContact O-N 2.66Å; R459-S481 PolarHBondContact N-O 3.31Å; R459-F482 PolarHBondContact NE-O 3.47Å; R459-F482 PolarHBondContact NH2-O 2.83Å; R459-L483 HydrophobicContact CG-CD2 3.95Å; R459-L483 HydrophobicContact CG-CG 3.89Å
460T68.6Low73.6Confident130 Ų13083.5 Ų83.580%0.79843%0.427SS*.EExtended strand (participates in β ladder)trans-55.7126.8171.150.50000109.2G462T460-G462 PolarHBondContact O-N 3.04Å
461H74.8Confident72.3Confident176 Ų17685.7 Ų85.782%0.81545%0.445SS*.EExtended strand (participates in β ladder)trans63.118.7-171.6-47.475.8000115.5R459 V463R459-H461 PolarHBondContact O-N 2.97Å; H461-V463 VanDerWaalsContact C-N 3.28Å; H461-V463 PolarHBondContact O-N 3.37Å
462G75.4Confident71.1Confident5 Ų597.9 Ų97.95%0.05249%0.49CS..EExtended strand (participates in β ladder)trans-79.3-0.1-174.900000115.7R459 T460 C480 S481R459-G462 WeakPolarHBondContact O-CA 3.48Å; R459-G462 PolarHBondContact O-N 2.66Å; T460-G462 PolarHBondContact O-N 3.04Å; G462-C480 CarbonylContact O-C 3.6Å; G462-C480 WeakPolarHBondContact O-CA 3.38Å; G462-S481 PolarHBondContact O-N 3.18Å
463V81.2Confident70Confident21 Ų2197 Ų9713%0.12748%0.482CS..EExtended strand (participates in β ladder)trans-100.5116.4176.1-1750000109.6I444 I447 L448 I458 H461I444-V463 HydrophobicContact CG2-CB 4.3Å; I444-V463 HydrophobicContact CG2-CG1 4.29Å; I447-V463 HydrophobicContact CD1-CG1 4.25Å; I447-V463 HydrophobicContact CG2-CG1 4.22Å; L448-V463 HydrophobicContact CD2-CG2 4.11Å; I458-V463 HydrophobicContact CD1-CG2 4.22Å; I458-V463 HydrophobicContact CG2-CG2 3.93Å; H461-V463 VanDerWaalsContact C-N 3.28Å; H461-V463 PolarHBondContact O-N 3.37Å
464H80.4Confident69.3Low110 Ų11089.4 Ų89.451%0.50945%0.447SS..EExtended strand (participates in β ladder)trans-114.9114179.1-61.7-75.5000111C478 V479H464-C478 CarbonylContact O-C 3.54Å; H464-C478 VanDerWaalsContact O-CA 3.28Å; H464-C478 WeakPolarHBondContact O-CA 3.26Å; H464-C478 WeakPolarHBondContact O-CB 3.45Å; H464-V479 PolarHBondContact N-O 3.16Å; H464-V479 PolarHBondContact O-N 2.78Å
465M79.4Confident68.6Low41 Ų4189 Ų8920%0.20245%0.448CS..EExtended strand (participates in β ladder)trans-84.2131175.4-65.1-61.3-9600110.6L438 A442 I444 I447 V474 C478L438-M465 HydrophobicContact CD1-CE 4.44Å; A442-M465 WeakPolarHBondContact O-CE 3.42Å; I444-M465 HydrophobicContact CG1-CG 4.08Å; I447-M465 HydrophobicContact CD1-CE 3.52Å; I447-M465 HydrophobicContact CD1-SD 3.15Å; I447-M465 WeakPolarHBondContact CD1-SD 3.46Å; M465-V474 HydrophobicContact CE-CB 4.21Å; M465-V474 HydrophobicContact CE-CG1 3.54Å; M465-V474 HydrophobicContact CE-CG2 3.66Å; M465-V474 HydrophobicContact SD-CG1 4.37Å; M465-C478 HydrophobicContact SD-CB 3.47Å; M465-C478 WeakPolarHBondContact SD-CB 3.4Å
466V76.2Confident68.2Low61 Ų6187.5 Ų87.537%0.3744%0.439SS..EExtended strand (participates in β ladder)trans-86.1119.1172.9-169.80000107.6V474 I475 K477V466-V474 WeakPolarHBondContact O-CA 3.25Å; V466-I475 HydrophobicContact CB-CG1 4.44Å; V466-I475 HydrophobicContact CG1-CD1 3.64Å; V466-I475 HydrophobicContact CG1-CG1 4.01Å; V466-I475 WeakPolarHBondContact O-CG1 3.36Å; V466-I475 PolarHBondContact O-N 2.95Å; V466-K477 HydrophobicContact CB-CB 4.34Å; V466-K477 HydrophobicContact CG2-CB 4.17Å; V466-K477 PolarHBondContact N-O 3.32Å; V466-K477 VanDerWaalsContact N-O 3.08Å
467L69.9Low68.4Low105 Ų10585.9 Ų85.955%0.5542%0.422SS..EExtended strand (participates in β ladder)trans-109.5144.1-178.6-65.2169.8000111.2V474L467-V474 HydrophobicContact CD2-CB 4.41Å; L467-V474 HydrophobicContact CD2-CG2 3.8Å
468N61.1Low68.7Low63 Ų6384.3 Ų84.334%0.33741%0.414SS..EExtended strand (participates in β ladder)trans-87.1128.3171.4-171.4-4.9000109.2Q470 V471 G473 I475N468-Q470 PolarHBondContact O-N 3.27Å; N468-Q470 PolarHBondContact OD1-N 3.04Å; N468-V471 CarbonylContact O-C 3.58Å; N468-G473 PolarHBondContact N-O 3.5Å; N468-I475 HydrophobicContact CB-CD1 4.12Å; N468-I475 HydrophobicContact CB-CG1 4.01Å
469H50.8Low68.9Low197 Ų19785.8 Ų85.891%0.91242%0.423SS*.THydrogen-bonded Turntrans-70.6-17.1-178.7-108.371.4000113.8
470Q55.1Low69Low176 Ų17680.3 Ų80.382%0.82240%0.403SS*.THydrogen-bonded Turntrans-92.9-25-178-68.9-177.7-13.400114.3N468N468-Q470 PolarHBondContact O-N 3.27Å; N468-Q470 PolarHBondContact OD1-N 3.04Å
471V54.3Low69.6Low101 Ų10175.1 Ų75.161%0.61237%0.372SS*.THydrogen-bonded Turntrans-132.1106.1178.6-1740000104N468 G473N468-V471 CarbonylContact O-C 3.58Å; V471-G473 PolarHBondContact O-N 3.22Å
472R52.9Low69.6Low261 Ų26166.8 Ų66.899%0.98533%0.333SS*.THydrogen-bonded Turntrans-55.381.8-178.6-82.4179.8164-172.3-4.1110.7
473G57Low69.2Low21 Ų2171.7 Ų71.722%0.21636%0.358CS..EExtended strand (participates in β ladder)trans-175.3158.6-16900000112.8N468 V471N468-G473 PolarHBondContact N-O 3.5Å; V471-G473 PolarHBondContact O-N 3.22Å
474V60.6Low68.4Low13 Ų1377.7 Ų77.78%0.07938%0.378CS..EExtended strand (participates in β ladder)trans-79.5133-171.5-173.40000110.4Y440 M465 V466 L467 G476Y440-V474 WeakPolarHBondContact CD1-O 3.39Å; M465-V474 HydrophobicContact CE-CB 4.21Å; M465-V474 HydrophobicContact CE-CG1 3.54Å; M465-V474 HydrophobicContact CE-CG2 3.66Å; M465-V474 HydrophobicContact SD-CG1 4.37Å; V466-V474 WeakPolarHBondContact O-CA 3.25Å; L467-V474 HydrophobicContact CD2-CB 4.41Å; L467-V474 HydrophobicContact CD2-CG2 3.8Å; V474-G476 PolarHBondContact O-N 2.79Å
475I62.4Low67.3Low70 Ų7075.6 Ų75.636%0.35938%0.375SS..EExtended strand (participates in β ladder)trans-79.727.1-178.7-16.7-178.2000112.8V466 N468 K477V466-I475 HydrophobicContact CB-CG1 4.44Å; V466-I475 HydrophobicContact CG1-CD1 3.64Å; V466-I475 HydrophobicContact CG1-CG1 4.01Å; V466-I475 WeakPolarHBondContact O-CG1 3.36Å; V466-I475 PolarHBondContact O-N 2.95Å; N468-I475 HydrophobicContact CB-CD1 4.12Å; N468-I475 HydrophobicContact CB-CG1 4.01Å; I475-K477 VanDerWaalsContact C-N 3.29Å; I475-K477 PolarHBondContact O-N 3.32Å
476G66.8Low66.1Low7 Ų777.7 Ų77.77%0.07239%0.393CS..EExtended strand (participates in β ladder)trans63.128-177.200000114.7R436 G437 L438 V474R436-G476 CarbonylContact C-O 3.59Å; R436-G476 WeakPolarHBondContact CA-O 3.49Å; G437-G476 PolarHBondContact N-O 2.93Å; L438-G476 PolarHBondContact N-O 2.87Å; L438-G476 VanDerWaalsContact N-O 3.13Å; L438-G476 WeakPolarHBondContact O-CA 3.29Å; V474-G476 PolarHBondContact O-N 2.79Å
477K78.1Confident65.1Low78 Ų7875 Ų7534%0.33938%0.377SS..EExtended strand (participates in β ladder)trans-141139.4-179.2-59.7176.4-173.51630111.3L435 R436 V466 I475L435-K477 WeakPolarHBondContact O-CA 3.35Å; R436-K477 HydrophobicContact CG-CG 4.23Å; V466-K477 HydrophobicContact CB-CB 4.34Å; V466-K477 HydrophobicContact CG2-CB 4.17Å; V466-K477 PolarHBondContact N-O 3.32Å; V466-K477 VanDerWaalsContact N-O 3.08Å; I475-K477 VanDerWaalsContact C-N 3.29Å; I475-K477 PolarHBondContact O-N 3.32Å
478C82.3Confident64.5Low0 Ų071 Ų710%036%0.357CS..EExtended strand (participates in β ladder)trans-139.2162.8170.181.30000111.7R434 L435 L438 I447 H464 M465R434-C478 WeakPolarHBondContact CA-O 3.38Å; L435-C478 VanDerWaalsContact CB-SG 3.58Å; L435-C478 PolarHBondContact N-O 3.04Å; L435-C478 PolarHBondContact O-N 3.22Å; L435-C478 VanDerWaalsContact O-N 3.14Å; L438-C478 HydrophobicContact CD1-CB 3.79Å; I447-C478 HydrophobicContact CD1-CB 4Å; H464-C478 CarbonylContact O-C 3.54Å; H464-C478 VanDerWaalsContact O-CA 3.28Å; H464-C478 WeakPolarHBondContact O-CA 3.26Å; H464-C478 WeakPolarHBondContact O-CB 3.45Å; M465-C478 HydrophobicContact SD-CB 3.47Å; M465-C478 WeakPolarHBondContact SD-CB 3.4Å
479V81.9Confident64.2Low50 Ų5072.2 Ų72.230%0.30337%0.371SS..EExtended strand (participates in β ladder)trans-124.7128.5171.8-1790000108.8C432 I433 R434 H464C432-V479 HydrophobicContact CB-CG1 4.34Å; I433-V479 CarbonylContact O-C 3.53Å; I433-V479 WeakPolarHBondContact O-CA 3.34Å; R434-V479 HydrophobicContact CG-CG2 4.32Å; H464-V479 PolarHBondContact N-O 3.16Å; H464-V479 PolarHBondContact O-N 2.78Å
480C80.8Confident64.4Low0 Ų066.4 Ų66.40%035%0.352CS..EExtended strand (participates in β ladder)trans-114.8128.9178.8-60.30000109.5C432 I433 L451 G462 F482C432-C480 CarbonylContact C-O 3.56Å; C432-C480 VanDerWaalsContact CA-O 3.25Å; C432-C480 WeakPolarHBondContact CA-O 3.13Å; I433-C480 PolarHBondContact N-O 2.64Å; I433-C480 PolarHBondContact O-N 3.32Å; L451-C480 HydrophobicContact CD1-CB 4.33Å; G462-C480 CarbonylContact O-C 3.6Å; G462-C480 WeakPolarHBondContact O-CA 3.38Å; C480-F482 HydrophobicContact CB-CE2 3.83Å; C480-F482 HydrophobicContact CB-CZ 4.27Å
481S79.3Confident64.6Low22 Ų2259.7 Ų59.715%0.15432%0.322CS..EExtended strand (participates in β ladder)trans-109.6124.6-179.1-48.80000110.5C432 R459 G462C432-S481 PolarHBondContact SG-OG 3.06Å; R459-S481 PolarHBondContact N-O 3.31Å; G462-S481 PolarHBondContact O-N 3.18Å
482F76.3Confident64.5Low0 Ų060.4 Ų60.40%033%0.326CS..EExtended strand (participates in β ladder)trans-101154.7-173.8-66.4-96.9000112D431 I433 L451 F454 D457 I458 R459 C480 A487 P488 I491D431-F482 PolarHBondContact O-N 3.37Å; I433-F482 HydrophobicContact CB-CE2 4.1Å; I433-F482 HydrophobicContact CD1-CD2 4.18Å; I433-F482 HydrophobicContact CD1-CE2 3.36Å; I433-F482 HydrophobicContact CD1-CZ 3.73Å; I433-F482 HydrophobicContact CG1-CD2 4.25Å; I433-F482 HydrophobicContact CG1-CE2 3.68Å; L451-F482 HydrophobicContact CD1-CZ 4.32Å; L451-F482 HydrophobicContact CD2-CZ 4.46Å; F454-F482 HydrophobicContact CB-CE1 4.25Å; F454-F482 WeakPolarHBondContact O-CE1 3.49Å; D457-F482 HydrophobicContact CB-CD1 4.1Å; D457-F482 CarbonylContact O-C 3.57Å; D457-F482 VanDerWaalsContact O-CA 3.31Å; D457-F482 WeakPolarHBondContact O-CA 3.2Å; I458-F482 HydrophobicContact CD1-CE1 4.41Å; I458-F482 HydrophobicContact CG1-CD1 3.98Å; I458-F482 HydrophobicContact CG1-CE1 3.64Å; I458-F482 HydrophobicContact CG1-CZ 4.06Å; R459-F482 PolarHBondContact NE-O 3.47Å; R459-F482 PolarHBondContact NH2-O 2.83Å; C480-F482 HydrophobicContact CB-CE2 3.83Å; C480-F482 HydrophobicContact CB-CZ 4.27Å; F482-A487 HydrophobicContact CD1-CB 3.98Å; F482-A487 HydrophobicContact CE1-CB 4.44Å; F482-A487 HydrophobicContact CG-CB 4.43Å; F482-P488 HydrophobicContact CD2-CG 4.17Å; F482-P488 HydrophobicContact CG-CG 4.5Å; F482-I491 HydrophobicContact CZ-CD1 4.17Å
483L66.3Low64.4Low108 Ų10852.7 Ų52.757%0.56532%0.319SS*.SBendtrans-76.8-28.1173.6-75.6159.8000111.4D457 R459D457-L483 WeakPolarHBondContact O-CB 3.41Å; D457-L483 PolarHBondContact O-N 3.32Å; R459-L483 HydrophobicContact CG-CD2 3.95Å; R459-L483 HydrophobicContact CG-CG 3.89Å
484R65Low64.2Low148 Ų14859.3 Ų59.356%0.55834%0.344SS*.SBendtrans-120136.9-177.4-68.4-178.8-176.4160.51112.7D457 S486D457-R484 IonicContact OD1-NH1 3.34Å; R484-S486 VanDerWaalsContact C-N 3.28Å; R484-S486 PolarHBondContact O-N 3.3Å
485P56.9Low63.8Low66 Ų6669.8 Ų69.843%0.42938%0.382SS..THydrogen-bonded Turntrans-67.1-19.8-178.6-26.338000116.7V429 D431 P488V429-P485 HydrophobicContact CB-CG 4.48Å; V429-P485 HydrophobicContact CG1-CB 3.24Å; V429-P485 HydrophobicContact CG1-CG 3.11Å; D431-P485 WeakPolarHBondContact OD1-CA 3.39Å; P485-P488 WeakPolarHBondContact O-CD 2.98Å
486S54.7Low63.1Low84 Ų8468 Ų6859%0.58737%0.372SS*.THydrogen-bonded Turntrans-88.2-20.1-170.948.90000113.4R484R484-S486 VanDerWaalsContact C-N 3.28Å; R484-S486 PolarHBondContact O-N 3.3Å
487A55.5Low62.3Low4 Ų473.1 Ų73.13%0.03340%0.402CS..Hα-helixtrans-67.1-36.6178.900000114F454 F482 S489 S490 I491F454-A487 HydrophobicContact CD1-CB 4.36Å; F482-A487 HydrophobicContact CD1-CB 3.98Å; F482-A487 HydrophobicContact CE1-CB 4.44Å; F482-A487 HydrophobicContact CG-CB 4.43Å; A487-S489 VanDerWaalsContact C-N 3.32Å; A487-S489 PolarHBondContact O-N 2.74Å; A487-S490 PolarHBondContact O-OG 3.31Å; A487-I491 WeakPolarHBondContact O-CD1 3.36Å
488P55.9Low60.5Low21 Ų2172.9 Ų72.914%0.13640%0.404CS..Hα-helixtrans-67.6-24.3-179.7-2739.2000115.8R430 I433 F482 P485R430-P488 WeakPolarHBondContact O-CG 3.41Å; I433-P488 HydrophobicContact CD1-CB 3.92Å; I433-P488 HydrophobicContact CD1-CG 4.32Å; I433-P488 HydrophobicContact CG1-CB 3.66Å; I433-P488 HydrophobicContact CG1-CG 4.12Å; F482-P488 HydrophobicContact CD2-CG 4.17Å; F482-P488 HydrophobicContact CG-CG 4.5Å; P485-P488 WeakPolarHBondContact O-CD 2.98Å
489S56Low58.7Low90 Ų9078.7 Ų78.763%0.62944%0.441SS*.Hα-helixtrans-75.4-25.5-176-48.60000113.2A487 T492A487-S489 VanDerWaalsContact C-N 3.32Å; A487-S489 PolarHBondContact O-N 2.74Å; S489-T492 PolarHBondContact O-OG1 3.18Å
490S54.3Low56.6Low74 Ų7488 Ų8852%0.51749%0.488SS..Hα-helixtrans-88-14.7-178.840.70000114.3A487 T492A487-S490 PolarHBondContact O-OG 3.31Å; S490-T492 PolarHBondContact O-N 3.15Å
491I58.8Low55.4Low36 Ų3692.4 Ų92.419%0.18551%0.513CS..  trans-9027.8-173.9-60.6161.9000111.9I433 L451 F454 F482 A487 A493I433-I491 HydrophobicContact CD1-CB 4.02Å; I433-I491 HydrophobicContact CD1-CD1 3.45Å; I433-I491 VanDerWaalsContact CD1-CD1 3.45Å; I433-I491 HydrophobicContact CD1-CG1 4.3Å; I433-I491 HydrophobicContact CD1-CG2 4.22Å; L451-I491 HydrophobicContact CD2-CD1 4.31Å; L451-I491 HydrophobicContact CD2-CG2 4.44Å; F454-I491 HydrophobicContact CB-CD1 4Å; F454-I491 HydrophobicContact CD1-CD1 4.31Å; F454-I491 HydrophobicContact CD2-CD1 4.05Å; F454-I491 HydrophobicContact CD2-CG1 4.02Å; F454-I491 HydrophobicContact CE2-CG1 4.19Å; F454-I491 HydrophobicContact CG-CD1 3.86Å; F454-I491 HydrophobicContact CG-CG1 4.26Å; F482-I491 HydrophobicContact CZ-CD1 4.17Å; A487-I491 WeakPolarHBondContact O-CD1 3.36Å; I491-A493 PolarHBondContact O-N 3.22Å
492T51.8Low54.1Low115 Ų11596.1 Ų96.171%0.70653%0.532SS*.  trans-82.5117.3-174.4-38.30000111.5S489 S490S489-T492 PolarHBondContact O-OG1 3.18Å; S490-T492 PolarHBondContact O-N 3.15Å
493A51Low52.9Low100 Ų100101.4 Ų101.483%0.82656%0.561SS**SBendtrans71.361.9167.300000118.2I491I491-A493 PolarHBondContact O-N 3.22Å
494Q53.4Low52.1Low160 Ų160101.1 Ų101.175%0.74856%0.561SS**  trans-117.1142160.7-70.4-177.9-9.500111.2F450F450-Q494 HydrophobicContact CZ-CB 4.35Å
495R51.4Low51.3Low232 Ų23298.1 Ų98.188%0.87556%0.561SS**  trans-81.3130.2174.8-88.1-176.4177.9179.20.5109.3T497R495-T497 PolarHBondContact O-N 3.18Å
496F49.1Very low50.9Low33 Ų33100.3 Ų100.315%0.14557%0.57CS.*  trans-76.4117.8169.8-166.2-78000109L438 D446 I447 F450 L498L438-F496 HydrophobicContact CD2-CB 4.27Å; L438-F496 HydrophobicContact CD2-CD1 3.92Å; L438-F496 HydrophobicContact CD2-CD2 3.62Å; L438-F496 HydrophobicContact CD2-CE1 4.14Å; L438-F496 HydrophobicContact CD2-CE2 3.83Å; L438-F496 HydrophobicContact CD2-CG 3.68Å; L438-F496 HydrophobicContact CD2-CZ 4.1Å; D446-F496 HydrophobicContact CB-CZ 3.96Å; D446-F496 WeakPolarHBondContact O-CE2 3.46Å; D446-F496 WeakPolarHBondContact O-CZ 3.31Å; I447-F496 HydrophobicContact CG1-CE2 4.47Å; F450-F496 HydrophobicContact CB-CD2 3.6Å; F450-F496 HydrophobicContact CB-CE2 3.19Å; F450-F496 HydrophobicContact CB-CZ 4.13Å; F450-F496 AromaticContact CD1-CD2 3.54Å; F450-F496 HydrophobicContact CD1-CD2 3.54Å; F450-F496 AromaticContact CD1-CE2 3.91Å; F450-F496 HydrophobicContact CD1-CE2 3.91Å; F450-F496 HydrophobicContact CD2-CB 4.29Å; F450-F496 AromaticContact CD2-CD2 3.34Å; F450-F496 HydrophobicContact CD2-CD2 3.34Å; F450-F496 AromaticContact CD2-CE2 3.89Å; F450-F496 HydrophobicContact CD2-CE2 3.89Å; F450-F496 HydrophobicContact CD2-CG 4.02Å; F450-F496 AromaticContact CE1-CD2 3.99Å; F450-F496 HydrophobicContact CE1-CD2 3.99Å; F450-F496 HydrophobicContact CE2-CB 4.02Å; F450-F496 AromaticContact CE2-CD2 3.83Å; F450-F496 HydrophobicContact CE2-CD2 3.83Å; F450-F496 HydrophobicContact CE2-CG 4.26Å; F450-F496 AromaticContact CG-CD2 3.18Å; F450-F496 HydrophobicContact CG-CD2 3.18Å; F450-F496 AromaticContact CG-CE2 3.39Å; F450-F496 HydrophobicContact CG-CE2 3.39Å; F450-F496 HydrophobicContact CG-CG 4.27Å; F450-F496 HydrophobicContact CZ-CB 4.3Å; F450-F496 HydrophobicContact CZ-CD2 4.13Å; F496-L498 HydrophobicContact CE1-CD2 4.09Å; F496-L498 HydrophobicContact CE1-CG 4.31Å
497T48.6Very low50.6Low114 Ų114101.4 Ų101.470%0.69957%0.569SS**  trans-132126.2173.741.70000108.4R495R495-T497 PolarHBondContact O-N 3.18Å
498L41.2Very low50.3Low73 Ų73108.9 Ų108.938%0.38261%0.61SS.*  trans-67.3138.4171-70.2167.2000108.8P439 D446 F496P439-L498 HydrophobicContact CB-CD1 3.73Å; P439-L498 HydrophobicContact CG-CD1 3.6Å; P439-L498 HydrophobicContact CG-CG 3.95Å; D446-L498 HydrophobicContact CB-CD2 4.25Å; F496-L498 HydrophobicContact CE1-CD2 4.09Å; F496-L498 HydrophobicContact CE1-CG 4.31Å
499P43.7Very low49.8Very low122 Ų122116.3 Ų116.379%0.79265%0.649SS**  trans-62.6141.2164.527.1-30.2000109.2
500L38.3Very low49.2Very low246 Ų246118.6 Ų118.6100%1.28865%0.651SS**  trans-650177.4-87.5164000112.2

Retrieved 500 of 500 residues in 189.4 ms (Link to these results)

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