A0A060XNZ9_ONCMY Loading...

Forkhead box B2

AlphaFold DB , UniProt , Accession A0A060XNZ9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110525387, Length 313 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.9Low60.8Low229 Ų229128.5 Ų128.5100%1.12867%0.666SS**  0125.60-65.5168.888.600108.1R3M1-R3 PolarHBondContact O-N 3.4Å
2P64.4Low63Low131 Ų131125.7 Ų125.785%0.85165%0.647SS**PPolyproline II helixtrans-61.8132.8175.2-14.428.3000109.2
3R56.4Low65.1Low226 Ų226125.8 Ų125.885%0.85364%0.64SS**PPolyproline II helixtrans-68130.4173.8-72.1-173.9-177.7-174.81.7108.4M1 G5M1-R3 PolarHBondContact O-N 3.4Å; R3-G5 PolarHBondContact O-N 3.5Å
4P61.3Low67Low67 Ų67117.9 Ų117.944%0.43560%0.602SS.*PPolyproline II helixtrans-52.2137.8174-25.233.3000111Y9P4-Y9 HydrophobicContact CB-CE2 4.04Å; P4-Y9 HydrophobicContact CG-CE2 4.48Å
5G57.3Low68.5Low56 Ų56116.7 Ų116.758%0.57760%0.604SS**PPolyproline II helixtrans-55.3148179.400000111.8R3 N7 S8R3-G5 PolarHBondContact O-N 3.5Å; G5-N7 PolarHBondContact O-N 2.82Å; G5-S8 PolarHBondContact O-N 3.13Å
6K56.8Low70Confident197 Ų197113.9 Ų113.986%0.85758%0.584SS**THydrogen-bonded Turntrans-51.8-18.9-172.7-69.3173.9177177.60114.9
7N54.6Low71.5Confident131 Ų131110.2 Ų110.270%0.70157%0.571SS**THydrogen-bonded Turntrans-84.9-18.3179.5-58.6-7.4000114G5 S10G5-N7 PolarHBondContact O-N 2.82Å; N7-S10 PolarHBondContact O-OG 2.64Å
8S59.1Low72.8Confident54 Ų54107 Ų10738%0.37855%0.551SS.*THydrogen-bonded Turntrans-76.6-28.5179.9-178.40000112.3G5 S10 E11 Q12G5-S8 PolarHBondContact O-N 3.13Å; S8-S10 PolarHBondContact O-N 3.16Å; S8-E11 PolarHBondContact O-N 3.42Å; S8-Q12 WeakPolarHBondContact O-CG 3.39Å
9Y59.3Low74Confident129 Ų129102.7 Ų102.751%0.50653%0.529SS..G310 helixtrans-72.8-26.3-178.3-73.6-80.6000113.4P4 E11 Q12P4-Y9 HydrophobicContact CB-CE2 4.04Å; P4-Y9 HydrophobicContact CG-CE2 4.48Å; Y9-E11 VanDerWaalsContact C-N 3.29Å; Y9-E11 PolarHBondContact O-N 3.07Å; Y9-Q12 PolarHBondContact O-N 3.22Å
10S66.8Low75Confident59 Ų5997.9 Ų97.941%0.41350%0.504SS..G310 helixtrans-72.8-21.5177.143.60000113.8N7 S8N7-S10 PolarHBondContact O-OG 2.64Å; S8-S10 PolarHBondContact O-N 3.16Å
11E78.8Confident76Confident134 Ų13493.2 Ų93.263%0.62648%0.481SS*.G310 helixtrans-94.4-4.4176.9-68.7173.4-171.300112.3S8 Y9 Y49S8-E11 PolarHBondContact O-N 3.42Å; Y9-E11 VanDerWaalsContact C-N 3.29Å; Y9-E11 PolarHBondContact O-N 3.07Å; E11-Y49 WeakPolarHBondContact O-CD2 3.38Å
12Q87.1Confident78Confident95 Ų9582.3 Ų82.344%0.44443%0.427SS..SBendtrans-76.8142.6175.5-72.7178.720.900110.7S8 Y9 P14S8-Q12 WeakPolarHBondContact O-CG 3.39Å; Y9-Q12 PolarHBondContact O-N 3.22Å; Q12-P14 VanDerWaalsContact O-CD 3.26Å; Q12-P14 WeakPolarHBondContact O-CD 3.28Å; Q12-P14 VanDerWaalsContact O-N 3.14Å
13K90.4Very high79.5Confident127 Ų12776.1 Ų76.155%0.55239%0.386SS*.PPolyproline II helixtrans-56.2119.1176.1-177.3174.3176.5-1750109.9Y49K13-Y49 HydrophobicContact CB-CD1 4.07Å; K13-Y49 HydrophobicContact CB-CD2 4.36Å; K13-Y49 HydrophobicContact CB-CE1 3.67Å; K13-Y49 HydrophobicContact CB-CE2 3.97Å; K13-Y49 HydrophobicContact CB-CG 4.39Å; K13-Y49 HydrophobicContact CD-CE1 4.03Å; K13-Y49 HydrophobicContact CG-CD1 4.08Å; K13-Y49 HydrophobicContact CG-CE1 3.54Å
14P91.5Very high81.3Confident16 Ų1666.1 Ų66.110%0.10435%0.35CS..PPolyproline II helixtrans-59.9148.2179.5-23.733.3000111.8Q12 Y16 F47 Y50Q12-P14 VanDerWaalsContact O-CD 3.26Å; Q12-P14 WeakPolarHBondContact O-CD 3.28Å; Q12-P14 VanDerWaalsContact O-N 3.14Å; P14-Y16 HydrophobicContact CB-CD2 3.66Å; P14-Y16 HydrophobicContact CB-CE2 4.3Å; P14-Y16 PolarHBondContact O-N 3.14Å; P14-F47 HydrophobicContact CB-CD1 3.9Å; P14-F47 HydrophobicContact CB-CE1 4.07Å; P14-F47 HydrophobicContact CB-CG 4.46Å; P14-F47 HydrophobicContact CG-CB 3.85Å; P14-F47 HydrophobicContact CG-CD1 3.4Å; P14-F47 HydrophobicContact CG-CE1 4.1Å; P14-F47 HydrophobicContact CG-CG 3.72Å; P14-Y50 HydrophobicContact CG-CE2 4.03Å
15P90.4Very high83Confident99 Ų9963 Ų6364%0.64333%0.329SS*.SBendtrans-76.53717934.3-37.4000112.7L103P15-L103 HydrophobicContact CB-CD2 4.37Å; P15-L103 HydrophobicContact CG-CD2 4.3Å
16Y92.4Very high84.9Confident72 Ų7260.3 Ų60.328%0.28230%0.302SS..  trans-115.3136.8-177.8-60.4-58.5000110.7P14 L21 M24 F47 F102 L103P14-Y16 HydrophobicContact CB-CD2 3.66Å; P14-Y16 HydrophobicContact CB-CE2 4.3Å; P14-Y16 PolarHBondContact O-N 3.14Å; Y16-L21 HydrophobicContact CD2-CD2 4.41Å; Y16-L21 HydrophobicContact CG-CD2 4.5Å; Y16-M24 HydrophobicContact CD1-CE 4.18Å; Y16-M24 HydrophobicContact CD2-CE 3.94Å; Y16-M24 HydrophobicContact CE2-CE 4.38Å; Y16-M24 HydrophobicContact CG-CE 3.85Å; Y16-F47 AromaticContact CD2-CE1 3.9Å; Y16-F47 HydrophobicContact CD2-CE1 3.9Å; Y16-F47 HydrophobicContact CD2-CE2 4.49Å; Y16-F47 AromaticContact CD2-CZ 3.68Å; Y16-F47 HydrophobicContact CD2-CZ 3.68Å; Y16-F47 AromaticContact CE2-CE1 3.78Å; Y16-F47 HydrophobicContact CE2-CE1 3.78Å; Y16-F47 AromaticContact CE2-CZ 3.73Å; Y16-F47 HydrophobicContact CE2-CZ 3.73Å; Y16-F102 HydrophobicContact CD1-CB 3.99Å; Y16-F102 HydrophobicContact CE1-CB 3.9Å; Y16-L103 HydrophobicContact CD1-CD2 4.27Å; Y16-L103 HydrophobicContact CE1-CD2 3.9Å
17S94.3Very high86.6Confident52 Ų5253.3 Ų53.336%0.36427%0.272SS..  trans-73.7160.2170.675.30000110.5I19 S20 L21S17-I19 PolarHBondContact O-N 3.38Å; S17-I19 PolarHBondContact OG-N 3.3Å; S17-S20 WeakPolarHBondContact O-CA 3.45Å; S17-S20 WeakPolarHBondContact O-CB 3.24Å; S17-S20 PolarHBondContact O-N 3.5Å; S17-S20 PolarHBondContact OG-N 3.25Å; S17-S20 VanDerWaalsContact OG-N 3.1Å; S17-S20 PolarHBondContact OG-OG 3.04Å; S17-L21 WeakPolarHBondContact O-CG 3.38Å; S17-L21 PolarHBondContact O-N 3.26Å
18Y96.3Very high88.5Confident52 Ų5252 Ų5220%0.20427%0.265CS..Hα-helixtrans-57.9-34173.2-65.1-59000112.4L21 T22 Y50 W57 L61Y18-L21 HydrophobicContact CD1-CD1 4.03Å; Y18-L21 PolarHBondContact O-N 3.07Å; Y18-T22 WeakPolarHBondContact O-CB 3.29Å; Y18-T22 PolarHBondContact O-N 3.3Å; Y18-T22 PolarHBondContact O-OG1 2.88Å; Y18-T22 VanDerWaalsContact O-OG1 3.06Å; Y18-Y50 HydrophobicContact CE1-CE1 4.11Å; Y18-W57 HydrophobicContact CE1-CB 4.14Å; Y18-W57 WeakPolarHBondContact OH-CB 3.47Å; Y18-L61 HydrophobicContact CD1-CD1 4.34Å
19I94.5Very high90.2Very high25 Ų2550.2 Ų50.213%0.12825%0.253CS..Hα-helixtrans-60.2-48.4173.4-56.7174.6000110S17 L21 T22 A23 N68 F71 F97S17-I19 PolarHBondContact O-N 3.38Å; S17-I19 PolarHBondContact OG-N 3.3Å; I19-L21 PolarHBondContact O-N 3.5Å; I19-T22 PolarHBondContact O-N 2.89Å; I19-A23 WeakPolarHBondContact O-CB 3.08Å; I19-A23 PolarHBondContact O-N 2.91Å; I19-N68 WeakPolarHBondContact CD1-OD1 3.37Å; I19-F71 HydrophobicContact CB-CE2 4.37Å; I19-F71 HydrophobicContact CB-CZ 4.38Å; I19-F71 HydrophobicContact CG1-CE2 4.36Å; I19-F71 HydrophobicContact CG2-CE2 4.06Å; I19-F71 HydrophobicContact CG2-CZ 3.88Å; I19-F97 HydrophobicContact CG2-CE1 4.34Å; I19-F97 HydrophobicContact CG2-CZ 3.8Å
20S94.1Very high92Very high6 Ų650.7 Ų50.74%0.04227%0.269CS..Hα-helixtrans-62.6-42.8178.5-47.70000111.9S17 A23 M24 F102S17-S20 WeakPolarHBondContact O-CA 3.45Å; S17-S20 WeakPolarHBondContact O-CB 3.24Å; S17-S20 PolarHBondContact O-N 3.5Å; S17-S20 PolarHBondContact OG-N 3.25Å; S17-S20 VanDerWaalsContact OG-N 3.1Å; S17-S20 PolarHBondContact OG-OG 3.04Å; S20-A23 PolarHBondContact O-N 2.85Å; S20-M24 WeakPolarHBondContact O-CG 3.37Å; S20-M24 PolarHBondContact O-N 3.01Å; S20-F102 VanDerWaalsContact CB-O 3.24Å; S20-F102 WeakPolarHBondContact CB-O 3.18Å; S20-F102 PolarHBondContact OG-O 3.2Å
21L95.9Very high93.3Very high1 Ų153.9 Ų53.91%0.00528%0.277CS..Hα-helixtrans-61.2-47.3178.3-69.2172.2000111.7Y16 S17 Y18 I19 M24 A25 I43 F47 Y50Y16-L21 HydrophobicContact CD2-CD2 4.41Å; Y16-L21 HydrophobicContact CG-CD2 4.5Å; S17-L21 WeakPolarHBondContact O-CG 3.38Å; S17-L21 PolarHBondContact O-N 3.26Å; Y18-L21 HydrophobicContact CD1-CD1 4.03Å; Y18-L21 PolarHBondContact O-N 3.07Å; I19-L21 PolarHBondContact O-N 3.5Å; L21-M24 HydrophobicContact CD2-CE 3.8Å; L21-M24 PolarHBondContact O-N 3.04Å; L21-A25 PolarHBondContact O-N 3.41Å; L21-A25 VanDerWaalsContact O-N 3.12Å; L21-I43 HydrophobicContact CB-CD1 3.87Å; L21-I43 HydrophobicContact CB-CG1 4.19Å; L21-I43 HydrophobicContact CD1-CG2 4.47Å; L21-F47 HydrophobicContact CD2-CD2 3.63Å; L21-F47 HydrophobicContact CD2-CE2 3.36Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; L21-Y50 HydrophobicContact CD1-CE2 3.79Å
22T96.8Very high94.1Very high0 Ų053.3 Ų53.30%027%0.273CS..Hα-helixtrans-65-42.5177.2-60.40000111.7Y18 I19 M24 A25 I26 I39 L65 F71Y18-T22 WeakPolarHBondContact O-CB 3.29Å; Y18-T22 PolarHBondContact O-N 3.3Å; Y18-T22 PolarHBondContact O-OG1 2.88Å; Y18-T22 VanDerWaalsContact O-OG1 3.06Å; I19-T22 PolarHBondContact O-N 2.89Å; T22-M24 PolarHBondContact O-N 3.25Å; T22-A25 WeakPolarHBondContact O-CB 3.32Å; T22-A25 PolarHBondContact O-N 3.02Å; T22-I26 HydrophobicContact CG2-CD1 3.81Å; T22-I26 HydrophobicContact CG2-CG1 4.42Å; T22-I26 WeakPolarHBondContact O-CG1 3.4Å; T22-I26 PolarHBondContact O-N 3.48Å; T22-I39 HydrophobicContact CG2-CD1 4.21Å; T22-I39 HydrophobicContact CG2-CG2 4.46Å; T22-L65 HydrophobicContact CG2-CD2 3.68Å; T22-F71 HydrophobicContact CG2-CD1 3.8Å; T22-F71 HydrophobicContact CG2-CE1 3.28Å; T22-F71 HydrophobicContact CG2-CE2 4.27Å; T22-F71 HydrophobicContact CG2-CG 4.49Å; T22-F71 HydrophobicContact CG2-CZ 3.56Å
23A94.8Very high94.5Very high0 Ų051.3 Ų51.30%026%0.264CS..Hα-helixtrans-60.2-45.4177.200000111.8I19 S20 A25 I26 Q27 L89 F97I19-A23 WeakPolarHBondContact O-CB 3.08Å; I19-A23 PolarHBondContact O-N 2.91Å; S20-A23 PolarHBondContact O-N 2.85Å; A23-A25 VanDerWaalsContact C-N 3.32Å; A23-A25 PolarHBondContact O-N 3.48Å; A23-I26 PolarHBondContact O-N 3.08Å; A23-Q27 WeakPolarHBondContact O-CB 3.37Å; A23-Q27 VanDerWaalsContact O-CG 3.3Å; A23-Q27 WeakPolarHBondContact O-CG 3.37Å; A23-Q27 PolarHBondContact O-N 3Å; A23-L89 HydrophobicContact CB-CD1 4.26Å; A23-L89 HydrophobicContact CB-CD2 4.05Å; A23-F97 HydrophobicContact CB-CD1 3.82Å; A23-F97 HydrophobicContact CB-CD2 4.13Å; A23-F97 HydrophobicContact CB-CE1 3.8Å; A23-F97 HydrophobicContact CB-CE2 4.13Å; A23-F97 HydrophobicContact CB-CG 3.98Å; A23-F97 HydrophobicContact CB-CZ 3.96Å
24M95.4Very high94.8Very high17 Ų1746.6 Ų46.68%0.08425%0.245CC..Hα-helixtrans-59.1-42.3175.3-74.1-174.1-70.400112.2Y16 S20 L21 T22 N28 F42 F47 F102Y16-M24 HydrophobicContact CD1-CE 4.18Å; Y16-M24 HydrophobicContact CD2-CE 3.94Å; Y16-M24 HydrophobicContact CE2-CE 4.38Å; Y16-M24 HydrophobicContact CG-CE 3.85Å; S20-M24 WeakPolarHBondContact O-CG 3.37Å; S20-M24 PolarHBondContact O-N 3.01Å; L21-M24 HydrophobicContact CD2-CE 3.8Å; L21-M24 PolarHBondContact O-N 3.04Å; T22-M24 PolarHBondContact O-N 3.25Å; M24-N28 VanDerWaalsContact O-CB 3.29Å; M24-N28 WeakPolarHBondContact O-CB 3.4Å; M24-N28 PolarHBondContact O-N 3.48Å; M24-F42 HydrophobicContact CB-CE1 4.04Å; M24-F42 HydrophobicContact CB-CZ 4.31Å; M24-F47 HydrophobicContact CE-CE2 4Å; M24-F47 HydrophobicContact CE-CZ 3.97Å; M24-F102 HydrophobicContact CG-CD1 3.55Å; M24-F102 HydrophobicContact CG-CD2 4.4Å; M24-F102 HydrophobicContact CG-CE1 3.53Å; M24-F102 HydrophobicContact CG-CE2 4.38Å; M24-F102 HydrophobicContact CG-CG 4.01Å; M24-F102 HydrophobicContact CG-CZ 3.98Å; M24-F102 HydrophobicContact SD-CD1 4.32Å; M24-F102 HydrophobicContact SD-CD2 4.48Å; M24-F102 HydrophobicContact SD-CG 4.21Å
25A96.9Very high95.1Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-61.3-50.4177.800000111.3L21 T22 A23 Q27 N28 S29 L34 I39 F42L21-A25 PolarHBondContact O-N 3.41Å; L21-A25 VanDerWaalsContact O-N 3.12Å; T22-A25 WeakPolarHBondContact O-CB 3.32Å; T22-A25 PolarHBondContact O-N 3.02Å; A23-A25 VanDerWaalsContact C-N 3.32Å; A23-A25 PolarHBondContact O-N 3.48Å; A25-Q27 PolarHBondContact O-N 3.07Å; A25-N28 PolarHBondContact O-N 3.46Å; A25-S29 PolarHBondContact O-N 2.98Å; A25-L34 HydrophobicContact CB-CD1 4.09Å; A25-L34 VanDerWaalsContact O-CD1 3.24Å; A25-L34 WeakPolarHBondContact O-CD1 3.27Å; A25-I39 HydrophobicContact CB-CG2 4.35Å; A25-F42 HydrophobicContact CB-CB 4.06Å; A25-F42 HydrophobicContact CB-CD1 3.37Å; A25-F42 HydrophobicContact CB-CE1 3.88Å; A25-F42 HydrophobicContact CB-CG 3.72Å
26I95.8Very high95.5Very high1 Ų143.9 Ų43.91%0.00522%0.224CC..Hα-helixtrans-63.8-43.6-178.7-67.7172.2000110.8T22 A23 N28 S29 K32 F71 L89T22-I26 HydrophobicContact CG2-CD1 3.81Å; T22-I26 HydrophobicContact CG2-CG1 4.42Å; T22-I26 WeakPolarHBondContact O-CG1 3.4Å; T22-I26 PolarHBondContact O-N 3.48Å; A23-I26 PolarHBondContact O-N 3.08Å; I26-N28 VanDerWaalsContact C-N 3.29Å; I26-N28 PolarHBondContact O-N 3.41Å; I26-S29 WeakPolarHBondContact O-CB 3.45Å; I26-S29 PolarHBondContact O-N 3.22Å; I26-S29 VanDerWaalsContact O-N 3.14Å; I26-S29 PolarHBondContact O-OG 3.33Å; I26-K32 WeakPolarHBondContact CG2-O 3.39Å; I26-F71 HydrophobicContact CD1-CD1 4.08Å; I26-F71 HydrophobicContact CD1-CE1 4.21Å; I26-L89 HydrophobicContact CB-CG 4.41Å; I26-L89 HydrophobicContact CD1-CG 4.32Å; I26-L89 HydrophobicContact CG2-CD1 4.34Å; I26-L89 HydrophobicContact CG2-CG 4.09Å
27Q93.4Very high95.7Very high50 Ų5043.2 Ų43.223%0.23423%0.23CC..Hα-helixtrans-65.3-32179.2-74.9178-25.300113.1A23 A25 S29 K32 L89 F97A23-Q27 WeakPolarHBondContact O-CB 3.37Å; A23-Q27 VanDerWaalsContact O-CG 3.3Å; A23-Q27 WeakPolarHBondContact O-CG 3.37Å; A23-Q27 PolarHBondContact O-N 3Å; A25-Q27 PolarHBondContact O-N 3.07Å; Q27-S29 VanDerWaalsContact C-N 3.27Å; Q27-S29 PolarHBondContact O-N 2.96Å; Q27-K32 PolarHBondContact O-NZ 3.23Å; Q27-L89 HydrophobicContact CG-CD1 3.92Å; Q27-F97 VanDerWaalsContact NE2-CB 3.32Å
28N94.6Very high95.9Very high104 Ų10443.3 Ų43.356%0.55623%0.226SC*.Hα-helixtrans-75.2-14.8176.5-167.576.3000113.2M24 A25 I26 F42M24-N28 VanDerWaalsContact O-CB 3.29Å; M24-N28 WeakPolarHBondContact O-CB 3.4Å; M24-N28 PolarHBondContact O-N 3.48Å; A25-N28 PolarHBondContact O-N 3.46Å; I26-N28 VanDerWaalsContact C-N 3.29Å; I26-N28 PolarHBondContact O-N 3.41Å; N28-F42 HydrophobicContact CB-CE2 3.69Å; N28-F42 HydrophobicContact CB-CZ 4.13Å
29S95.3Very high96Very high16 Ų1640.8 Ų40.811%0.11222%0.217CC..SBendtrans-77.6146171.675.10000111.2A25 I26 Q27 K32 M33A25-S29 PolarHBondContact O-N 2.98Å; I26-S29 WeakPolarHBondContact O-CB 3.45Å; I26-S29 PolarHBondContact O-N 3.22Å; I26-S29 VanDerWaalsContact O-N 3.14Å; I26-S29 PolarHBondContact O-OG 3.33Å; Q27-S29 VanDerWaalsContact C-N 3.27Å; Q27-S29 PolarHBondContact O-N 2.96Å; S29-K32 PolarHBondContact O-N 3.41Å; S29-K32 WeakPolarHBondContact OG-CA 3.1Å; S29-K32 PolarHBondContact OG-N 3Å; S29-K32 VanDerWaalsContact OG-N 3.16Å; S29-M33 PolarHBondContact OG-N 3.12Å; S29-M33 PolarHBondContact OG-O 2.89Å
30T95.6Very high96.1Very high138 Ų13840.9 Ų40.985%0.84722%0.216SC*.THydrogen-bonded Turntrans-65.9-39.3176.246.70000111.7K32T30-K32 VanDerWaalsContact C-N 3.29Å; T30-K32 PolarHBondContact O-N 2.84Å
31E94.7Very high96.3Very high127 Ų12745.8 Ų45.859%0.59324%0.236SC*.THydrogen-bonded Turntrans-82.9-1.1-177.1-59.8-175172.600113.9M33E31-M33 HydrophobicContact CB-CG 4.03Å; E31-M33 PolarHBondContact O-N 2.83Å; E31-M33 VanDerWaalsContact O-N 3.07Å
32K95.4Very high96.4Very high122 Ų12247 Ų4753%0.5324%0.241SC..SBendtrans52.927.6-174.7-54.2-61.6176.8-178.30113.4I26 Q27 S29 T30I26-K32 WeakPolarHBondContact CG2-O 3.39Å; Q27-K32 PolarHBondContact O-NZ 3.23Å; S29-K32 PolarHBondContact O-N 3.41Å; S29-K32 WeakPolarHBondContact OG-CA 3.1Å; S29-K32 PolarHBondContact OG-N 3Å; S29-K32 VanDerWaalsContact OG-N 3.16Å; T30-K32 VanDerWaalsContact C-N 3.29Å; T30-K32 PolarHBondContact O-N 2.84Å
33M96Very high96.4Very high53 Ų5347 Ų4726%0.26124%0.241SC..EExtended strand (participates in β ladder)trans-151.6147.4173.768.5-177.978.400110S29 E31 I74 F86 W87 A88S29-M33 PolarHBondContact OG-N 3.12Å; S29-M33 PolarHBondContact OG-O 2.89Å; E31-M33 HydrophobicContact CB-CG 4.03Å; E31-M33 PolarHBondContact O-N 2.83Å; E31-M33 VanDerWaalsContact O-N 3.07Å; M33-I74 HydrophobicContact CE-CD1 4.05Å; M33-I74 HydrophobicContact SD-CD1 4.18Å; M33-F86 HydrophobicContact CB-CB 4.4Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.18Å; M33-F86 HydrophobicContact CG-CG 4.4Å; M33-F86 HydrophobicContact SD-CB 4.1Å; M33-F86 HydrophobicContact SD-CD1 4.43Å; M33-F86 HydrophobicContact SD-CG 4.13Å; M33-W87 VanDerWaalsContact CA-O 3.28Å; M33-W87 WeakPolarHBondContact CA-O 3.3Å; M33-A88 HydrophobicContact CB-CB 3.96Å
34L97.4Very high96.5Very high28 Ų2849 Ų4915%0.14725%0.251CS..EExtended strand (participates in β ladder)trans-142.2147.3179-74.6176.6000111.6A25 D38 I39 W87A25-L34 HydrophobicContact CB-CD1 4.09Å; A25-L34 VanDerWaalsContact O-CD1 3.24Å; A25-L34 WeakPolarHBondContact O-CD1 3.27Å; L34-D38 HydrophobicContact CD2-CB 4.19Å; L34-I39 HydrophobicContact CB-CG1 3.95Å; L34-I39 HydrophobicContact CD1-CG1 4.44Å; L34-W87 PolarHBondContact N-O 3.11Å; L34-W87 PolarHBondContact O-N 3.03Å
35P97.4Very high96.6Very high10 Ų1053.7 Ų53.77%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-71.5157.2166.633.4-35000110.5S37 D38 I39 F86P35-S37 PolarHBondContact O-N 3.39Å; P35-S37 VanDerWaalsContact O-N 3.13Å; P35-D38 WeakPolarHBondContact CD-OD2 3.5Å; P35-D38 HydrophobicContact CG-CB 4.04Å; P35-D38 WeakPolarHBondContact CG-OD2 3.28Å; P35-D38 PolarHBondContact O-N 3Å; P35-I39 PolarHBondContact O-N 3.46Å; P35-F86 HydrophobicContact CB-CD1 4.47Å; P35-F86 HydrophobicContact CG-CE1 4.49Å
36L97.6Very high96.5Very high47 Ų4760 Ų6025%0.24630%0.3CS..Hα-helixtrans-53.4-37.5-179.7-179.659.8000113.5D38 I39 Y40 L61 R62 L65L36-D38 VanDerWaalsContact C-N 3.29Å; L36-D38 PolarHBondContact O-N 3.13Å; L36-I39 PolarHBondContact O-N 2.97Å; L36-Y40 HydrophobicContact CD1-CD1 4.3Å; L36-Y40 HydrophobicContact CD1-CE1 3.53Å; L36-Y40 HydrophobicContact CD1-CE2 4.17Å; L36-Y40 VanDerWaalsContact CD1-CZ 3.46Å; L36-Y40 WeakPolarHBondContact CD1-OH 3.36Å; L36-Y40 HydrophobicContact CD2-CE2 4.22Å; L36-Y40 WeakPolarHBondContact CD2-OH 3.48Å; L36-Y40 HydrophobicContact CG-CD2 4.47Å; L36-Y40 HydrophobicContact CG-CE1 4.05Å; L36-Y40 HydrophobicContact CG-CE2 3.72Å; L36-Y40 VanDerWaalsContact CG-CZ 3.48Å; L36-Y40 WeakPolarHBondContact O-CD2 3.48Å; L36-Y40 PolarHBondContact O-N 3.36Å; L36-L61 HydrophobicContact CD1-CD2 3.85Å; L36-R62 HydrophobicContact CD1-CG 4.32Å; L36-R62 HydrophobicContact CD2-CG 3.87Å; L36-L65 HydrophobicContact CD1-CD1 3.5Å
37S97.6Very high96.4Very high59 Ų5961.3 Ų61.341%0.41331%0.306SS..Hα-helixtrans-59.3-39.517850.50000112.8P35 Y40 K41P35-S37 PolarHBondContact O-N 3.39Å; P35-S37 VanDerWaalsContact O-N 3.13Å; S37-Y40 WeakPolarHBondContact O-CB 3.38Å; S37-Y40 PolarHBondContact O-N 3.46Å; S37-K41 WeakPolarHBondContact O-CG 3.37Å; S37-K41 PolarHBondContact O-N 3.35Å
38D97.9Very high96.5Very high53 Ų5361 Ų6128%0.28331%0.308SS..Hα-helixtrans-84.5-26.6-174.4-62.5-20.5000111.4L34 P35 L36 Y40 K41 F42L34-D38 HydrophobicContact CD2-CB 4.19Å; P35-D38 WeakPolarHBondContact CD-OD2 3.5Å; P35-D38 HydrophobicContact CG-CB 4.04Å; P35-D38 WeakPolarHBondContact CG-OD2 3.28Å; P35-D38 PolarHBondContact O-N 3Å; L36-D38 VanDerWaalsContact C-N 3.29Å; L36-D38 PolarHBondContact O-N 3.13Å; D38-Y40 VanDerWaalsContact C-N 3.28Å; D38-Y40 PolarHBondContact O-N 3.39Å; D38-K41 PolarHBondContact O-N 3.19Å; D38-K41 IonicContact OD1-NZ 2.88Å; D38-K41 PolarHBondContact OD1-NZ 3.44Å; D38-F42 WeakPolarHBondContact O-CB 3.44Å; D38-F42 PolarHBondContact O-N 3.18Å
39I98.2Very high96.5Very high0 Ų060.6 Ų60.60%030%0.3CS..Hα-helixtrans-60-41.9166.4-60.4167.2000110T22 A25 L34 P35 L36 I43 L61 W87T22-I39 HydrophobicContact CG2-CD1 4.21Å; T22-I39 HydrophobicContact CG2-CG2 4.46Å; A25-I39 HydrophobicContact CB-CG2 4.35Å; L34-I39 HydrophobicContact CB-CG1 3.95Å; L34-I39 HydrophobicContact CD1-CG1 4.44Å; P35-I39 PolarHBondContact O-N 3.46Å; L36-I39 PolarHBondContact O-N 2.97Å; I39-I43 HydrophobicContact CG2-CD1 3.94Å; I39-I43 VanDerWaalsContact O-CG1 3.28Å; I39-I43 WeakPolarHBondContact O-CG1 3.47Å; I39-I43 PolarHBondContact O-N 3.23Å; I39-L61 HydrophobicContact CG2-CD1 4.24Å; I39-L61 HydrophobicContact CG2-CD2 3.99Å; I39-W87 HydrophobicContact CD1-CB 4.17Å
40Y98Very high96.5Very high27 Ų2760 Ų6011%0.10630%0.295CS..Hα-helixtrans-62.7-48176.3-60.5-29.1000112.3L36 S37 D38 I43 M44 W57 Q58 L61 R62L36-Y40 HydrophobicContact CD1-CD1 4.3Å; L36-Y40 HydrophobicContact CD1-CE1 3.53Å; L36-Y40 HydrophobicContact CD1-CE2 4.17Å; L36-Y40 VanDerWaalsContact CD1-CZ 3.46Å; L36-Y40 WeakPolarHBondContact CD1-OH 3.36Å; L36-Y40 HydrophobicContact CD2-CE2 4.22Å; L36-Y40 WeakPolarHBondContact CD2-OH 3.48Å; L36-Y40 HydrophobicContact CG-CD2 4.47Å; L36-Y40 HydrophobicContact CG-CE1 4.05Å; L36-Y40 HydrophobicContact CG-CE2 3.72Å; L36-Y40 VanDerWaalsContact CG-CZ 3.48Å; L36-Y40 WeakPolarHBondContact O-CD2 3.48Å; L36-Y40 PolarHBondContact O-N 3.36Å; S37-Y40 WeakPolarHBondContact O-CB 3.38Å; S37-Y40 PolarHBondContact O-N 3.46Å; D38-Y40 VanDerWaalsContact C-N 3.28Å; D38-Y40 PolarHBondContact O-N 3.39Å; Y40-I43 PolarHBondContact O-N 3.21Å; Y40-M44 WeakPolarHBondContact O-CG 3.4Å; Y40-M44 PolarHBondContact O-N 3.04Å; Y40-W57 AromaticContact CD1-CH2 3.85Å; Y40-W57 HydrophobicContact CD1-CH2 3.85Å; Y40-W57 AromaticContact CD1-CZ3 3.81Å; Y40-W57 HydrophobicContact CD1-CZ3 3.81Å; Y40-W57 HydrophobicContact CE1-CZ3 4.32Å; Y40-W57 HydrophobicContact CG-CH2 4.3Å; Y40-Q58 HydrophobicContact CD1-CG 3.86Å; Y40-Q58 HydrophobicContact CD2-CG 4.43Å; Y40-Q58 HydrophobicContact CE1-CB 3.9Å; Y40-Q58 HydrophobicContact CE1-CG 3.66Å; Y40-Q58 HydrophobicContact CE2-CG 4.27Å; Y40-Q58 HydrophobicContact CG-CG 4.23Å; Y40-L61 HydrophobicContact CD1-CD2 4.24Å; Y40-L61 HydrophobicContact CE1-CD2 3.76Å; Y40-R62 WeakPolarHBondContact OH-CD 3.42Å; Y40-R62 WeakPolarHBondContact OH-CG 3.38Å; Y40-R62 PolarHBondContact OH-NH1 3.21Å
41K98Very high96.5Very high108 Ų10860.1 Ų60.147%0.4728%0.28SS..Hα-helixtrans-58.8-51.9178.9-67.4172.6-168.7160.70111S37 D38 I43 M44 D45S37-K41 WeakPolarHBondContact O-CG 3.37Å; S37-K41 PolarHBondContact O-N 3.35Å; D38-K41 PolarHBondContact O-N 3.19Å; D38-K41 IonicContact OD1-NZ 2.88Å; D38-K41 PolarHBondContact OD1-NZ 3.44Å; K41-I43 VanDerWaalsContact C-N 3.26Å; K41-I43 PolarHBondContact O-N 3.06Å; K41-M44 PolarHBondContact O-N 3.36Å; K41-M44 VanDerWaalsContact O-N 3.08Å; K41-D45 WeakPolarHBondContact O-CB 3.37Å; K41-D45 PolarHBondContact O-N 2.9Å
42F97.9Very high96.3Very high26 Ų2660.8 Ų60.811%0.11428%0.283CS..Hα-helixtrans-52.8-44179.3177.5-90.5000112.8M24 A25 N28 D38 R46M24-F42 HydrophobicContact CB-CE1 4.04Å; M24-F42 HydrophobicContact CB-CZ 4.31Å; A25-F42 HydrophobicContact CB-CB 4.06Å; A25-F42 HydrophobicContact CB-CD1 3.37Å; A25-F42 HydrophobicContact CB-CE1 3.88Å; A25-F42 HydrophobicContact CB-CG 3.72Å; N28-F42 HydrophobicContact CB-CE2 3.69Å; N28-F42 HydrophobicContact CB-CZ 4.13Å; D38-F42 WeakPolarHBondContact O-CB 3.44Å; D38-F42 PolarHBondContact O-N 3.18Å; F42-R46 WeakPolarHBondContact O-CB 3.5Å; F42-R46 PolarHBondContact O-N 3.06Å
43I97.4Very high96.1Very high0 Ų061.2 Ų61.20%029%0.291CS..Hα-helixtrans-68.3-45-179.9-66.4169.6000110.9L21 I39 Y40 K41 D45 F47 Y50 W57 L61L21-I43 HydrophobicContact CB-CD1 3.87Å; L21-I43 HydrophobicContact CB-CG1 4.19Å; L21-I43 HydrophobicContact CD1-CG2 4.47Å; I39-I43 HydrophobicContact CG2-CD1 3.94Å; I39-I43 VanDerWaalsContact O-CG1 3.28Å; I39-I43 WeakPolarHBondContact O-CG1 3.47Å; I39-I43 PolarHBondContact O-N 3.23Å; Y40-I43 PolarHBondContact O-N 3.21Å; K41-I43 VanDerWaalsContact C-N 3.26Å; K41-I43 PolarHBondContact O-N 3.06Å; I43-D45 VanDerWaalsContact C-N 3.32Å; I43-D45 PolarHBondContact O-N 3.45Å; I43-F47 HydrophobicContact CG2-CD2 4.45Å; I43-F47 WeakPolarHBondContact O-CA 3.47Å; I43-F47 WeakPolarHBondContact O-CB 3.49Å; I43-F47 PolarHBondContact O-N 3.49Å; I43-Y50 HydrophobicContact CG2-CD2 3.45Å; I43-Y50 VanDerWaalsContact CG2-CD2 3.45Å; I43-Y50 HydrophobicContact CG2-CE2 4.1Å; I43-Y50 HydrophobicContact CG2-CG 3.73Å; I43-W57 HydrophobicContact CD1-CZ3 4.28Å; I43-W57 HydrophobicContact CG2-CH2 4.44Å; I43-W57 HydrophobicContact CG2-CZ3 4.44Å; I43-L61 HydrophobicContact CD1-CD1 3.36Å
44M96.4Very high96Very high43 Ų4360.9 Ų60.921%0.21229%0.292CS..Hα-helixtrans-67.3-33179.5-69.5-175-61.800112.8Y40 K41 R51 T54 W57Y40-M44 WeakPolarHBondContact O-CG 3.4Å; Y40-M44 PolarHBondContact O-N 3.04Å; K41-M44 PolarHBondContact O-N 3.36Å; K41-M44 VanDerWaalsContact O-N 3.08Å; M44-R51 HydrophobicContact CB-CG 4.14Å; M44-R51 PolarHBondContact O-NE 3.03Å; M44-R51 PolarHBondContact O-NH2 2.85Å; M44-T54 HydrophobicContact SD-CG2 4.2Å; M44-W57 HydrophobicContact CG-CH2 4.28Å; M44-W57 HydrophobicContact CG-CZ2 3.81Å; M44-W57 HydrophobicContact SD-CZ2 4.12Å
45D96.3Very high95.9Very high115 Ų11565.8 Ų65.862%0.61532%0.315SS*.Hα-helixtrans-71.6-47.3179-66-18.4000110.4K41 I43K41-D45 WeakPolarHBondContact O-CB 3.37Å; K41-D45 PolarHBondContact O-N 2.9Å; I43-D45 VanDerWaalsContact C-N 3.32Å; I43-D45 PolarHBondContact O-N 3.45Å
46R95.3Very high95.9Very high132 Ų13275 Ų7550%0.49835%0.348SS..Hα-helixtrans-78.9-32-177.4-172.8171.9-75.3-131.40.2113.7F42F42-R46 WeakPolarHBondContact O-CB 3.5Å; F42-R46 PolarHBondContact O-N 3.06Å
47F94.8Very high95.8Very high29 Ų2973.3 Ų73.313%0.12734%0.338CS..  trans-128.492.6-174.4-58-67.9000110.6P14 Y16 L21 M24 I43 Y49 Y50P14-F47 HydrophobicContact CB-CD1 3.9Å; P14-F47 HydrophobicContact CB-CE1 4.07Å; P14-F47 HydrophobicContact CB-CG 4.46Å; P14-F47 HydrophobicContact CG-CB 3.85Å; P14-F47 HydrophobicContact CG-CD1 3.4Å; P14-F47 HydrophobicContact CG-CE1 4.1Å; P14-F47 HydrophobicContact CG-CG 3.72Å; Y16-F47 AromaticContact CD2-CE1 3.9Å; Y16-F47 HydrophobicContact CD2-CE1 3.9Å; Y16-F47 HydrophobicContact CD2-CE2 4.49Å; Y16-F47 AromaticContact CD2-CZ 3.68Å; Y16-F47 HydrophobicContact CD2-CZ 3.68Å; Y16-F47 AromaticContact CE2-CE1 3.78Å; Y16-F47 HydrophobicContact CE2-CE1 3.78Å; Y16-F47 AromaticContact CE2-CZ 3.73Å; Y16-F47 HydrophobicContact CE2-CZ 3.73Å; L21-F47 HydrophobicContact CD2-CD2 3.63Å; L21-F47 HydrophobicContact CD2-CE2 3.36Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; M24-F47 HydrophobicContact CE-CE2 4Å; M24-F47 HydrophobicContact CE-CZ 3.97Å; I43-F47 HydrophobicContact CG2-CD2 4.45Å; I43-F47 WeakPolarHBondContact O-CA 3.47Å; I43-F47 WeakPolarHBondContact O-CB 3.49Å; I43-F47 PolarHBondContact O-N 3.49Å; F47-Y49 PolarHBondContact O-N 2.98Å; F47-Y50 HydrophobicContact CB-CD2 3.77Å; F47-Y50 HydrophobicContact CB-CE2 4.24Å; F47-Y50 PolarHBondContact O-N 3.37Å
48P94.1Very high95.9Very high43 Ų4371.8 Ų71.828%0.27933%0.325SS..G310 helixtrans-53.8-30.3-176.2-28.836.1000114.7Y50 R51P48-Y50 PolarHBondContact O-N 3.45Å; P48-R51 WeakPolarHBondContact O-CB 3.48Å; P48-R51 WeakPolarHBondContact O-CG 3.23Å; P48-R51 PolarHBondContact O-N 3.47Å
49Y94.4Very high95.9Very high97 Ų9773.9 Ų73.938%0.3834%0.336SS..G310 helixtrans-46.1-33.2172.6174.8-105.5000114.6E11 K13 F47E11-Y49 WeakPolarHBondContact O-CD2 3.38Å; K13-Y49 HydrophobicContact CB-CD1 4.07Å; K13-Y49 HydrophobicContact CB-CD2 4.36Å; K13-Y49 HydrophobicContact CB-CE1 3.67Å; K13-Y49 HydrophobicContact CB-CE2 3.97Å; K13-Y49 HydrophobicContact CB-CG 4.39Å; K13-Y49 HydrophobicContact CD-CE1 4.03Å; K13-Y49 HydrophobicContact CG-CD1 4.08Å; K13-Y49 HydrophobicContact CG-CE1 3.54Å; F47-Y49 PolarHBondContact O-N 2.98Å
50Y96Very high95.8Very high4 Ų475.7 Ų75.72%0.01635%0.349CS..G310 helixtrans-89.82.2-176.7-68.1-71.8000114.5P14 Y18 L21 I43 F47 P48 E52 W57P14-Y50 HydrophobicContact CG-CE2 4.03Å; Y18-Y50 HydrophobicContact CE1-CE1 4.11Å; L21-Y50 HydrophobicContact CD1-CE2 3.79Å; I43-Y50 HydrophobicContact CG2-CD2 3.45Å; I43-Y50 VanDerWaalsContact CG2-CD2 3.45Å; I43-Y50 HydrophobicContact CG2-CE2 4.1Å; I43-Y50 HydrophobicContact CG2-CG 3.73Å; F47-Y50 HydrophobicContact CB-CD2 3.77Å; F47-Y50 HydrophobicContact CB-CE2 4.24Å; F47-Y50 PolarHBondContact O-N 3.37Å; P48-Y50 PolarHBondContact O-N 3.45Å; Y50-E52 VanDerWaalsContact C-N 3.28Å; Y50-W57 HydrophobicContact CD1-CB 4.08Å; Y50-W57 AromaticContact CD1-CD1 3.84Å; Y50-W57 AromaticContact CD1-CD2 3.83Å; Y50-W57 HydrophobicContact CD1-CD2 3.83Å; Y50-W57 HydrophobicContact CD1-CE3 4.38Å; Y50-W57 AromaticContact CD1-CG 3.68Å; Y50-W57 HydrophobicContact CD1-CG 3.68Å; Y50-W57 HydrophobicContact CE1-CB 4.24Å; Y50-W57 HydrophobicContact CE1-CG 4.31Å; Y50-W57 HydrophobicContact CG-CD2 4.47Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.36Å; Y50-W57 PolarHBondContact O-NE1 3.45Å
51R95.3Very high95.8Very high140 Ų14074.4 Ų74.453%0.52834%0.344SS..G310 helixtrans-71.6-26.9176.9-66.1176.1-172.2171.41.8112.3M44 P48 T54M44-R51 HydrophobicContact CB-CG 4.14Å; M44-R51 PolarHBondContact O-NE 3.03Å; M44-R51 PolarHBondContact O-NH2 2.85Å; P48-R51 WeakPolarHBondContact O-CB 3.48Å; P48-R51 WeakPolarHBondContact O-CG 3.23Å; P48-R51 PolarHBondContact O-N 3.47Å; R51-T54 WeakPolarHBondContact O-CG2 3.37Å
52E91.9Very high95.8Very high141 Ų14173.5 Ų73.566%0.65934%0.337SS*.SBendtrans-94.5161.1176.7-61.6-177.3-176.800111.6Y50 T54Y50-E52 VanDerWaalsContact C-N 3.28Å; E52-T54 PolarHBondContact O-N 2.91Å; E52-T54 VanDerWaalsContact O-N 3.1Å
53N90.7Very high95.8Very high131 Ų13177.4 Ų77.470%0.70136%0.355SS*.SBendtrans51.738.6173.8-63.1-61.3000113.7Q55 R56N53-Q55 VanDerWaalsContact C-N 3.27Å; N53-Q55 PolarHBondContact O-N 2.86Å; N53-Q55 VanDerWaalsContact O-N 3.13Å; N53-R56 PolarHBondContact O-N 3.43Å
54T93.1Very high95.8Very high45 Ų4578.7 Ų78.728%0.27636%0.362SS..Hα-helixtrans-54.8-39.1-167.354.10000113.8M44 R51 E52 R56 Q58M44-T54 HydrophobicContact SD-CG2 4.2Å; R51-T54 WeakPolarHBondContact O-CG2 3.37Å; E52-T54 PolarHBondContact O-N 2.91Å; E52-T54 VanDerWaalsContact O-N 3.1Å; T54-R56 PolarHBondContact O-N 2.93Å; T54-Q58 WeakPolarHBondContact O-CB 3.48Å; T54-Q58 WeakPolarHBondContact O-CG 3.24Å; T54-Q58 PolarHBondContact O-N 3.33Å
55Q96.6Very high95.8Very high132 Ų13276.8 Ų76.862%0.61735%0.353SS*.Hα-helixtrans-57.8-43.5-177.8-66.4-61.3-22.400113.6N53 N59N53-Q55 VanDerWaalsContact C-N 3.27Å; N53-Q55 PolarHBondContact O-N 2.86Å; N53-Q55 VanDerWaalsContact O-N 3.13Å; Q55-N59 WeakPolarHBondContact O-CB 3.38Å; Q55-N59 PolarHBondContact O-N 3.19Å
56R96Very high95.8Very high204 Ų20476 Ų7677%0.7736%0.356SS*.Hα-helixtrans-68.2-49.3-172.7-179.7-178.6-113.7-83.32.8111.9N53 T54 S60N53-R56 PolarHBondContact O-N 3.43Å; T54-R56 PolarHBondContact O-N 2.93Å; R56-S60 PolarHBondContact O-N 3.19Å; R56-S60 PolarHBondContact O-OG 3.24Å
57W96.7Very high95.7Very high11 Ų1175.5 Ų75.54%0.04236%0.358CS..Hα-helixtrans-76.6-33.5-177.772.3-104.8000111.3Y18 Y40 I43 M44 Y50 N59 S60 L61Y18-W57 HydrophobicContact CE1-CB 4.14Å; Y18-W57 WeakPolarHBondContact OH-CB 3.47Å; Y40-W57 AromaticContact CD1-CH2 3.85Å; Y40-W57 HydrophobicContact CD1-CH2 3.85Å; Y40-W57 AromaticContact CD1-CZ3 3.81Å; Y40-W57 HydrophobicContact CD1-CZ3 3.81Å; Y40-W57 HydrophobicContact CE1-CZ3 4.32Å; Y40-W57 HydrophobicContact CG-CH2 4.3Å; I43-W57 HydrophobicContact CD1-CZ3 4.28Å; I43-W57 HydrophobicContact CG2-CH2 4.44Å; I43-W57 HydrophobicContact CG2-CZ3 4.44Å; M44-W57 HydrophobicContact CG-CH2 4.28Å; M44-W57 HydrophobicContact CG-CZ2 3.81Å; M44-W57 HydrophobicContact SD-CZ2 4.12Å; Y50-W57 HydrophobicContact CD1-CB 4.08Å; Y50-W57 AromaticContact CD1-CD1 3.84Å; Y50-W57 AromaticContact CD1-CD2 3.83Å; Y50-W57 HydrophobicContact CD1-CD2 3.83Å; Y50-W57 HydrophobicContact CD1-CE3 4.38Å; Y50-W57 AromaticContact CD1-CG 3.68Å; Y50-W57 HydrophobicContact CD1-CG 3.68Å; Y50-W57 HydrophobicContact CE1-CB 4.24Å; Y50-W57 HydrophobicContact CE1-CG 4.31Å; Y50-W57 HydrophobicContact CG-CD2 4.47Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.36Å; Y50-W57 PolarHBondContact O-NE1 3.45Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 2.96Å; W57-S60 CarbonylContact O-C 3.59Å; W57-S60 WeakPolarHBondContact O-CB 2.91Å; W57-S60 PolarHBondContact O-N 3.3Å; W57-L61 HydrophobicContact CE3-CB 4.45Å; W57-L61 HydrophobicContact CE3-CD1 4.46Å; W57-L61 HydrophobicContact CZ3-CD1 4.15Å; W57-L61 WeakPolarHBondContact O-CB 3.46Å; W57-L61 PolarHBondContact O-N 2.98Å
58Q98Very high95.6Very high27 Ų2774.9 Ų74.913%0.12636%0.356CS..Hα-helixtrans-64.8-37.1174.8-72.6179.37.900111.8Y40 T54 L61 R62Y40-Q58 HydrophobicContact CD1-CG 3.86Å; Y40-Q58 HydrophobicContact CD2-CG 4.43Å; Y40-Q58 HydrophobicContact CE1-CB 3.9Å; Y40-Q58 HydrophobicContact CE1-CG 3.66Å; Y40-Q58 HydrophobicContact CE2-CG 4.27Å; Y40-Q58 HydrophobicContact CG-CG 4.23Å; T54-Q58 WeakPolarHBondContact O-CB 3.48Å; T54-Q58 WeakPolarHBondContact O-CG 3.24Å; T54-Q58 PolarHBondContact O-N 3.33Å; Q58-L61 PolarHBondContact O-N 3.09Å; Q58-R62 WeakPolarHBondContact O-CG 3.39Å; Q58-R62 PolarHBondContact O-N 3.27Å
59N98Very high95.5Very high97 Ų9776.3 Ų76.352%0.51936%0.362SS..Hα-helixtrans-61-47.4172.3-171.327.6000111.3Q55 W57 L61 R62 H63Q55-N59 WeakPolarHBondContact O-CB 3.38Å; Q55-N59 PolarHBondContact O-N 3.19Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 2.96Å; N59-L61 VanDerWaalsContact C-N 3.26Å; N59-L61 PolarHBondContact O-N 3.33Å; N59-R62 PolarHBondContact O-N 2.81Å; N59-H63 PolarHBondContact O-N 3.39Å
60S97.4Very high95.4Very high38 Ų3871.9 Ų71.927%0.26635%0.345SS..Hα-helixtrans-59.2-38.7175.7-53.30000111.7R56 W57 H63 N64R56-S60 PolarHBondContact O-N 3.19Å; R56-S60 PolarHBondContact O-OG 3.24Å; W57-S60 CarbonylContact O-C 3.59Å; W57-S60 WeakPolarHBondContact O-CB 2.91Å; W57-S60 PolarHBondContact O-N 3.3Å; S60-H63 PolarHBondContact O-N 3.43Å; S60-N64 PolarHBondContact O-N 3.44Å; S60-N64 PolarHBondContact O-ND2 2.83Å
61L97.9Very high95.4Very high0 Ų072.2 Ų72.20%035%0.346CS..Hα-helixtrans-69-43178.6-168135.2000112.1Y18 L36 I39 Y40 I43 W57 Q58 N59 H63 N64 L65Y18-L61 HydrophobicContact CD1-CD1 4.34Å; L36-L61 HydrophobicContact CD1-CD2 3.85Å; I39-L61 HydrophobicContact CG2-CD1 4.24Å; I39-L61 HydrophobicContact CG2-CD2 3.99Å; Y40-L61 HydrophobicContact CD1-CD2 4.24Å; Y40-L61 HydrophobicContact CE1-CD2 3.76Å; I43-L61 HydrophobicContact CD1-CD1 3.36Å; W57-L61 HydrophobicContact CE3-CB 4.45Å; W57-L61 HydrophobicContact CE3-CD1 4.46Å; W57-L61 HydrophobicContact CZ3-CD1 4.15Å; W57-L61 WeakPolarHBondContact O-CB 3.46Å; W57-L61 PolarHBondContact O-N 2.98Å; Q58-L61 PolarHBondContact O-N 3.09Å; N59-L61 VanDerWaalsContact C-N 3.26Å; N59-L61 PolarHBondContact O-N 3.33Å; L61-H63 VanDerWaalsContact C-N 3.32Å; L61-H63 PolarHBondContact O-N 2.84Å; L61-N64 WeakPolarHBondContact O-CB 3.48Å; L61-N64 PolarHBondContact O-N 3.49Å; L61-N64 VanDerWaalsContact O-N 3.11Å; L61-L65 HydrophobicContact CD2-CD1 3.84Å; L61-L65 HydrophobicContact CD2-CG 4.32Å; L61-L65 PolarHBondContact O-N 2.66Å
62R98.1Very high95.5Very high88 Ų8868.5 Ų68.533%0.33234%0.336SS..Hα-helixtrans-59.9-42.7174-72.1-173.7-61.7-96.16.7111.9L36 Y40 Q58 N59 N64 L65 S66L36-R62 HydrophobicContact CD1-CG 4.32Å; L36-R62 HydrophobicContact CD2-CG 3.87Å; Y40-R62 WeakPolarHBondContact OH-CD 3.42Å; Y40-R62 WeakPolarHBondContact OH-CG 3.38Å; Y40-R62 PolarHBondContact OH-NH1 3.21Å; Q58-R62 WeakPolarHBondContact O-CG 3.39Å; Q58-R62 PolarHBondContact O-N 3.27Å; N59-R62 PolarHBondContact O-N 2.81Å; R62-N64 VanDerWaalsContact C-N 3.32Å; R62-N64 PolarHBondContact O-N 2.94Å; R62-L65 PolarHBondContact O-N 2.92Å; R62-S66 PolarHBondContact O-N 3.06Å
63H97.8Very high95.7Very high108 Ų10868.4 Ų68.450%0.533%0.334SS..Hα-helixtrans-59.4-43.8173.6172.169.9000111.4N59 S60 L61 L65 S66 F67N59-H63 PolarHBondContact O-N 3.39Å; S60-H63 PolarHBondContact O-N 3.43Å; L61-H63 VanDerWaalsContact C-N 3.32Å; L61-H63 PolarHBondContact O-N 2.84Å; H63-L65 PolarHBondContact O-N 3.21Å; H63-S66 PolarHBondContact O-N 2.96Å; H63-F67 AromaticContact CE1-CD2 3.91Å; H63-F67 AromaticContact CE1-CG 3.99Å; H63-F67 AromaticContact NE2-CG 3.95Å; H63-F67 WeakPolarHBondContact O-CB 3.26Å; H63-F67 PolarHBondContact O-N 3.36Å
64N96.1Very high96Very high27 Ų2764.4 Ų64.414%0.14431%0.312CS..Hα-helixtrans-63.8-38179.6-86.4-90.6000113.4S60 L61 R62 F67 N68S60-N64 PolarHBondContact O-N 3.44Å; S60-N64 PolarHBondContact O-ND2 2.83Å; L61-N64 WeakPolarHBondContact O-CB 3.48Å; L61-N64 PolarHBondContact O-N 3.49Å; L61-N64 VanDerWaalsContact O-N 3.11Å; R62-N64 VanDerWaalsContact C-N 3.32Å; R62-N64 PolarHBondContact O-N 2.94Å; N64-F67 PolarHBondContact O-N 2.88Å; N64-N68 PolarHBondContact O-N 3Å; N64-N68 VanDerWaalsContact O-N 3.11Å; N64-N68 PolarHBondContact O-ND2 3.1Å; N64-N68 PolarHBondContact OD1-ND2 3.24Å
65L96.9Very high96.1Very high3 Ų367.2 Ų67.22%0.01633%0.331CS..Hα-helixtrans-62-43.6177.6-73.6170.9000111.8T22 L36 L61 R62 H63 F71 W87T22-L65 HydrophobicContact CG2-CD2 3.68Å; L36-L65 HydrophobicContact CD1-CD1 3.5Å; L61-L65 HydrophobicContact CD2-CD1 3.84Å; L61-L65 HydrophobicContact CD2-CG 4.32Å; L61-L65 PolarHBondContact O-N 2.66Å; R62-L65 PolarHBondContact O-N 2.92Å; H63-L65 PolarHBondContact O-N 3.21Å; L65-F71 HydrophobicContact CD2-CB 4.1Å; L65-F71 HydrophobicContact CD2-CD1 4.27Å; L65-F71 HydrophobicContact CD2-CD2 4.04Å; L65-F71 HydrophobicContact CD2-CG 3.86Å; L65-W87 HydrophobicContact CB-CD2 4.15Å; L65-W87 HydrophobicContact CB-CE3 4.06Å; L65-W87 HydrophobicContact CB-CH2 3.73Å; L65-W87 HydrophobicContact CB-CZ2 3.86Å; L65-W87 HydrophobicContact CB-CZ3 3.85Å; L65-W87 HydrophobicContact CD1-CD2 4.17Å; L65-W87 HydrophobicContact CD1-CG 4.29Å; L65-W87 HydrophobicContact CD1-CZ2 4.39Å; L65-W87 HydrophobicContact CD2-CB 4.28Å; L65-W87 HydrophobicContact CD2-CD2 3.87Å; L65-W87 HydrophobicContact CD2-CE3 3.96Å; L65-W87 HydrophobicContact CD2-CG 4.02Å; L65-W87 HydrophobicContact CG-CD2 4.3Å; L65-W87 VanDerWaalsContact O-CZ3 3.23Å; L65-W87 WeakPolarHBondContact O-CZ3 3.25Å
66S96.1Very high95.9Very high98 Ų9864.1 Ų64.169%0.68531%0.313SS*.Hα-helixtrans-81.2-25.8179.6-55.80000113.7R62 H63R62-S66 PolarHBondContact O-N 3.06Å; H63-S66 PolarHBondContact O-N 2.96Å
67F93.6Very high95.7Very high123 Ų12363.3 Ų63.354%0.53931%0.31SS..Hα-helixtrans-87.5-31.1-174-179-96.3000113.9H63 N64H63-F67 AromaticContact CE1-CD2 3.91Å; H63-F67 AromaticContact CE1-CG 3.99Å; H63-F67 AromaticContact NE2-CG 3.95Å; H63-F67 WeakPolarHBondContact O-CB 3.26Å; H63-F67 PolarHBondContact O-N 3.36Å; N64-F67 PolarHBondContact O-N 2.88Å
68N92.9Very high95.3Very high15 Ų1568.3 Ų68.38%0.0834%0.344CS..  trans-103.1125.9-175-60.2-87.1000111.2I19 N64 C70 F71I19-N68 WeakPolarHBondContact CD1-OD1 3.37Å; N64-N68 PolarHBondContact O-N 3Å; N64-N68 VanDerWaalsContact O-N 3.11Å; N64-N68 PolarHBondContact O-ND2 3.1Å; N64-N68 PolarHBondContact OD1-ND2 3.24Å; N68-C70 PolarHBondContact O-N 3.04Å; N68-F71 HydrophobicContact CB-CD2 4.37Å; N68-F71 PolarHBondContact O-N 2.78Å
69D92.3Very high95Very high74 Ų7474.7 Ų74.740%0.39637%0.374SS..THydrogen-bonded Turntrans-60.3-13.2177.2-54.8-26.7000114.1F71 F109 L111D69-F71 PolarHBondContact O-N 2.84Å; D69-F109 HydrophobicContact CB-CD1 3.97Å; D69-F109 HydrophobicContact CB-CE1 3.73Å; D69-L111 HydrophobicContact CB-CB 4.01Å; D69-L111 PolarHBondContact OD2-N 2.88Å
70C92.4Very high94.4Very high4 Ų475.4 Ų75.43%0.02737%0.374CS..THydrogen-bonded Turntrans-58-25.7172-73.30000112.3N68 L89 H90 C93 F109N68-C70 PolarHBondContact O-N 3.04Å; C70-L89 CarbonylContact O-C 3.56Å; C70-L89 WeakPolarHBondContact O-CA 3.43Å; C70-H90 PolarHBondContact O-N 2.9Å; C70-C93 HydrophobicContact CB-CB 4.27Å; C70-C93 PolarHBondContact O-SG 3.03Å; C70-C93 VanDerWaalsContact O-SG 3.33Å; C70-F109 HydrophobicContact CB-CD1 4.42Å; C70-F109 VanDerWaalsContact SG-CD1 3.54Å
71F95.7Very high93.8Very high11 Ų1179.6 Ų79.65%0.04840%0.4CS..EExtended strand (participates in β ladder)trans-112.2126.6-175.6-56.7-61.3000110.7I19 T22 I26 L65 N68 D69 W87 A88 L89I19-F71 HydrophobicContact CB-CE2 4.37Å; I19-F71 HydrophobicContact CB-CZ 4.38Å; I19-F71 HydrophobicContact CG1-CE2 4.36Å; I19-F71 HydrophobicContact CG2-CE2 4.06Å; I19-F71 HydrophobicContact CG2-CZ 3.88Å; T22-F71 HydrophobicContact CG2-CD1 3.8Å; T22-F71 HydrophobicContact CG2-CE1 3.28Å; T22-F71 HydrophobicContact CG2-CE2 4.27Å; T22-F71 HydrophobicContact CG2-CG 4.49Å; T22-F71 HydrophobicContact CG2-CZ 3.56Å; I26-F71 HydrophobicContact CD1-CD1 4.08Å; I26-F71 HydrophobicContact CD1-CE1 4.21Å; L65-F71 HydrophobicContact CD2-CB 4.1Å; L65-F71 HydrophobicContact CD2-CD1 4.27Å; L65-F71 HydrophobicContact CD2-CD2 4.04Å; L65-F71 HydrophobicContact CD2-CG 3.86Å; N68-F71 HydrophobicContact CB-CD2 4.37Å; N68-F71 PolarHBondContact O-N 2.78Å; D69-F71 PolarHBondContact O-N 2.84Å; F71-W87 HydrophobicContact CB-CE3 3.95Å; F71-W87 HydrophobicContact CB-CZ3 4.24Å; F71-A88 WeakPolarHBondContact CA-O 3.23Å; F71-L89 HydrophobicContact CD1-CD2 3.92Å; F71-L89 HydrophobicContact CE1-CD2 3.53Å
72I96.5Very high93.4Very high62 Ų6281.7 Ų81.732%0.31842%0.422SS..EExtended strand (participates in β ladder)trans-107.8137.6176.460174.5000109.8I74 W87 A88 H90I72-I74 HydrophobicContact CD1-CD1 4.44Å; I72-I74 HydrophobicContact CD1-CG1 4.47Å; I72-I74 HydrophobicContact CG1-CG1 4.39Å; I72-W87 WeakPolarHBondContact O-CA 2.98Å; I72-A88 HydrophobicContact CD1-CB 4.23Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 3.47Å; I72-A88 PolarHBondContact O-N 3.04Å; I72-H90 HydrophobicContact CG2-CB 4.27Å
73K97.4Very high93.1Very high139 Ų13987 Ų8760%0.60445%0.448SS*.EExtended strand (participates in β ladder)trans-89.5116.1176.4-177-175.8172.4-173.30109.1S85 W87K73-S85 WeakPolarHBondContact CE-OG 3.34Å; K73-W87 HydrophobicContact CB-CE3 4.26Å; K73-W87 HydrophobicContact CB-CH2 4.07Å; K73-W87 HydrophobicContact CB-CZ2 4.46Å; K73-W87 HydrophobicContact CB-CZ3 3.96Å; K73-W87 HydrophobicContact CG-CZ2 4.45Å
74I96.1Very high92.9Very high47 Ų4784.3 Ų84.324%0.24145%0.449CS..EExtended strand (participates in β ladder)trans-102.4121.8180-59.1176.4000109.1M33 I72 S85 F86 A88M33-I74 HydrophobicContact CE-CD1 4.05Å; M33-I74 HydrophobicContact SD-CD1 4.18Å; I72-I74 HydrophobicContact CD1-CD1 4.44Å; I72-I74 HydrophobicContact CD1-CG1 4.47Å; I72-I74 HydrophobicContact CG1-CG1 4.39Å; I74-S85 WeakPolarHBondContact O-CB 3.09Å; I74-F86 HydrophobicContact CB-CB 4.09Å; I74-F86 PolarHBondContact N-O 3.43Å; I74-F86 PolarHBondContact O-N 3.01Å; I74-A88 HydrophobicContact CD1-CB 3.53Å; I74-A88 HydrophobicContact CG1-CB 4.42Å
75P95Very high92.9Very high104 Ų10484.2 Ų84.268%0.67545%0.451SS*.PPolyproline II helixtrans-64.6148175.528.1-33.4000110.8
76R93.3Very high92.9Very high66 Ų6685.5 Ų85.525%0.24946%0.456CS..PPolyproline II helixtrans-72.8150.6174.5-67.8-173177.9-93.20.6110.1G82 K83 G84 F86R76-G82 WeakPolarHBondContact CD-O 3.47Å; R76-K83 PolarHBondContact NE-O 3.35Å; R76-K83 PolarHBondContact NH2-O 3.38Å; R76-G84 VanDerWaalsContact CD-O 3.27Å; R76-G84 WeakPolarHBondContact CD-O 3.1Å; R76-G84 PolarHBondContact NE-O 3.46Å; R76-F86 HydrophobicContact CG-CD2 3.94Å; R76-F86 HydrophobicContact CG-CE2 3.82Å
77R90.9Very high93Very high188 Ų18882.2 Ų82.271%0.70943%0.429SS*.PPolyproline II helixtrans-66.3143.8169.1-64.5-173.7-174.9176.12.8109.4E79 Q80R77-E79 PolarHBondContact O-N 3.1Å; R77-Q80 PolarHBondContact O-N 2.97Å
78P89.4Confident93.1Very high115 Ų11576.8 Ų76.875%0.74741%0.406SS*.THydrogen-bonded Turntrans-58.3-31.4178.122.9-32.4000112.3Q80P78-Q80 PolarHBondContact O-N 3.2Å
79E90.8Very high93.2Very high161 Ų16177.4 Ų77.475%0.75241%0.41SS*.THydrogen-bonded Turntrans-69.6-13.8178.6-48.2-48.2149.900114.7R77 P81R77-E79 PolarHBondContact O-N 3.1Å; E79-P81 VanDerWaalsContact C-CD 3.49Å; E79-P81 WeakPolarHBondContact O-CD 3.5Å
80Q85.9Confident93.3Very high113 Ų11375.3 Ų75.353%0.52840%0.397SS..SBendtrans-122.977.1179.2-67.4-176.431.400109.8R77 P78 G82R77-Q80 PolarHBondContact O-N 2.97Å; P78-Q80 PolarHBondContact O-N 3.2Å; Q80-G82 PolarHBondContact O-N 3.06Å
81P84Confident93.2Very high125 Ų12579.5 Ų79.581%0.81243%0.425SS*.  trans-62.2125.2176.125.9-33000109.4E79E79-P81 VanDerWaalsContact C-CD 3.49Å; E79-P81 WeakPolarHBondContact O-CD 3.5Å
82G90Very high92.7Very high45 Ų4583.6 Ų83.646%0.46445%0.447SS..  trans-162.5160.4-176.100000112.6R76 Q80 G84R76-G82 WeakPolarHBondContact CD-O 3.47Å; Q80-G82 PolarHBondContact O-N 3.06Å; G82-G84 PolarHBondContact O-N 3.31Å
83K91.9Very high92.1Very high199 Ų19980.6 Ų80.687%0.86543%0.432SS*.SBendtrans-70.8130.4-179-171.8172.3-177.1172.50111R76R76-K83 PolarHBondContact NE-O 3.35Å; R76-K83 PolarHBondContact NH2-O 3.38Å
84G93.8Very high91Very high52 Ų5274.9 Ų74.954%0.53641%0.412SS..SBendtrans68.1-169172.600000114R76 G82R76-G84 VanDerWaalsContact CD-O 3.27Å; R76-G84 WeakPolarHBondContact CD-O 3.1Å; R76-G84 PolarHBondContact NE-O 3.46Å; G82-G84 PolarHBondContact O-N 3.31Å
85S96.3Very high90.1Very high24 Ų2478.5 Ų78.517%0.16843%0.432CS..  trans-107.4163.6179.8-58.70000111K73 I74K73-S85 WeakPolarHBondContact CE-OG 3.34Å; I74-S85 WeakPolarHBondContact O-CB 3.09Å
86F97.2Very high89.1Confident30 Ų3076.4 Ų76.413%0.13241%0.414CS..EExtended strand (participates in β ladder)trans-79.7151167-69.4-78.7000110M33 P35 I74 R76M33-F86 HydrophobicContact CB-CB 4.4Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.18Å; M33-F86 HydrophobicContact CG-CG 4.4Å; M33-F86 HydrophobicContact SD-CB 4.1Å; M33-F86 HydrophobicContact SD-CD1 4.43Å; M33-F86 HydrophobicContact SD-CG 4.13Å; P35-F86 HydrophobicContact CB-CD1 4.47Å; P35-F86 HydrophobicContact CG-CE1 4.49Å; I74-F86 HydrophobicContact CB-CB 4.09Å; I74-F86 PolarHBondContact N-O 3.43Å; I74-F86 PolarHBondContact O-N 3.01Å; R76-F86 HydrophobicContact CG-CD2 3.94Å; R76-F86 HydrophobicContact CG-CE2 3.82Å
87W97.9Very high88.2Confident30 Ų3073.4 Ų73.411%0.11440%0.403CS..EExtended strand (participates in β ladder)trans-120130.2172.5-68.593.5000108.8M33 L34 I39 L65 F71 I72 K73M33-W87 VanDerWaalsContact CA-O 3.28Å; M33-W87 WeakPolarHBondContact CA-O 3.3Å; L34-W87 PolarHBondContact N-O 3.11Å; L34-W87 PolarHBondContact O-N 3.03Å; I39-W87 HydrophobicContact CD1-CB 4.17Å; L65-W87 HydrophobicContact CB-CD2 4.15Å; L65-W87 HydrophobicContact CB-CE3 4.06Å; L65-W87 HydrophobicContact CB-CH2 3.73Å; L65-W87 HydrophobicContact CB-CZ2 3.86Å; L65-W87 HydrophobicContact CB-CZ3 3.85Å; L65-W87 HydrophobicContact CD1-CD2 4.17Å; L65-W87 HydrophobicContact CD1-CG 4.29Å; L65-W87 HydrophobicContact CD1-CZ2 4.39Å; L65-W87 HydrophobicContact CD2-CB 4.28Å; L65-W87 HydrophobicContact CD2-CD2 3.87Å; L65-W87 HydrophobicContact CD2-CE3 3.96Å; L65-W87 HydrophobicContact CD2-CG 4.02Å; L65-W87 HydrophobicContact CG-CD2 4.3Å; L65-W87 VanDerWaalsContact O-CZ3 3.23Å; L65-W87 WeakPolarHBondContact O-CZ3 3.25Å; F71-W87 HydrophobicContact CB-CE3 3.95Å; F71-W87 HydrophobicContact CB-CZ3 4.24Å; I72-W87 WeakPolarHBondContact O-CA 2.98Å; K73-W87 HydrophobicContact CB-CE3 4.26Å; K73-W87 HydrophobicContact CB-CH2 4.07Å; K73-W87 HydrophobicContact CB-CZ2 4.46Å; K73-W87 HydrophobicContact CB-CZ3 3.96Å; K73-W87 HydrophobicContact CG-CZ2 4.45Å
88A96.7Very high87.2Confident8 Ų871.4 Ų71.47%0.06640%0.401CS..EExtended strand (participates in β ladder)trans-126.1164.917600000110.5M33 F71 I72 I74M33-A88 HydrophobicContact CB-CB 3.96Å; F71-A88 WeakPolarHBondContact CA-O 3.23Å; I72-A88 HydrophobicContact CD1-CB 4.23Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 3.47Å; I72-A88 PolarHBondContact O-N 3.04Å; I74-A88 HydrophobicContact CD1-CB 3.53Å; I74-A88 HydrophobicContact CG1-CB 4.42Å
89L94.9Very high86.2Confident29 Ų2973.2 Ų73.215%0.15241%0.405CS..EExtended strand (participates in β ladder)trans-78.1139.8169.5-71.6170.8000109.7A23 I26 Q27 C70 F71 F97A23-L89 HydrophobicContact CB-CD1 4.26Å; A23-L89 HydrophobicContact CB-CD2 4.05Å; I26-L89 HydrophobicContact CB-CG 4.41Å; I26-L89 HydrophobicContact CD1-CG 4.32Å; I26-L89 HydrophobicContact CG2-CD1 4.34Å; I26-L89 HydrophobicContact CG2-CG 4.09Å; Q27-L89 HydrophobicContact CG-CD1 3.92Å; C70-L89 CarbonylContact O-C 3.56Å; C70-L89 WeakPolarHBondContact O-CA 3.43Å; F71-L89 HydrophobicContact CD1-CD2 3.92Å; F71-L89 HydrophobicContact CE1-CD2 3.53Å; L89-F97 HydrophobicContact CD2-CE2 4.32Å
90H93.4Very high85Confident29 Ų2968 Ų6813%0.13439%0.394CS..  trans-62.8137.4168.4-166-77.4000109.4C70 I72 D92 C93 G94C70-H90 PolarHBondContact O-N 2.9Å; I72-H90 HydrophobicContact CG2-CB 4.27Å; H90-D92 VanDerWaalsContact C-N 3.31Å; H90-D92 VanDerWaalsContact CE1-CG 3.42Å; H90-D92 IonicContact CE1-OD1 3.81Å; H90-D92 IonicContact CE1-OD2 3.19Å; H90-D92 PolarHBondContact CE1-OD2 2.82Å; H90-D92 WeakPolarHBondContact ND1-CB 3.5Å; H90-D92 PolarHBondContact ND1-N 3.32Å; H90-D92 VanDerWaalsContact ND1-N 3.19Å; H90-D92 IonicContact ND1-OD1 3.93Å; H90-D92 IonicContact ND1-OD2 3.65Å; H90-D92 PolarHBondContact O-N 3.28Å; H90-C93 HydrophobicContact CB-CB 4.35Å; H90-C93 PolarHBondContact O-N 3.49Å; H90-C93 PolarHBondContact O-SG 3.44Å; H90-G94 PolarHBondContact O-N 3.02Å
91P90.1Very high84.5Confident93 Ų9365.7 Ų65.760%0.60439%0.39SS*.Hα-helixtrans-52.7-47.7179.917.9-31.1000112.3C93 G94P91-C93 PolarHBondContact O-N 3.27Å; P91-G94 PolarHBondContact O-N 3.44Å
92D86.1Confident84Confident96 Ų9661.5 Ų61.551%0.51336%0.359SS..Hα-helixtrans-63.8-10.5178.5-51.2-6.9000115.4H90 F109H90-D92 VanDerWaalsContact C-N 3.31Å; H90-D92 VanDerWaalsContact CE1-CG 3.42Å; H90-D92 IonicContact CE1-OD1 3.81Å; H90-D92 IonicContact CE1-OD2 3.19Å; H90-D92 PolarHBondContact CE1-OD2 2.82Å; H90-D92 WeakPolarHBondContact ND1-CB 3.5Å; H90-D92 PolarHBondContact ND1-N 3.32Å; H90-D92 VanDerWaalsContact ND1-N 3.19Å; H90-D92 IonicContact ND1-OD1 3.93Å; H90-D92 IonicContact ND1-OD2 3.65Å; H90-D92 PolarHBondContact O-N 3.28Å; D92-F109 HydrophobicContact CB-CE2 3.88Å; D92-F109 HydrophobicContact CB-CZ 4Å
93C83.4Confident83.1Confident0 Ų064.2 Ų64.20%036%0.363CS..Hα-helixtrans-102.3-8.8177.189.10000113.3C70 H90 P91 M96 F97 F109C70-C93 HydrophobicContact CB-CB 4.27Å; C70-C93 PolarHBondContact O-SG 3.03Å; C70-C93 VanDerWaalsContact O-SG 3.33Å; H90-C93 HydrophobicContact CB-CB 4.35Å; H90-C93 PolarHBondContact O-N 3.49Å; H90-C93 PolarHBondContact O-SG 3.44Å; P91-C93 PolarHBondContact O-N 3.27Å; C93-M96 WeakPolarHBondContact O-CB 3.41Å; C93-M96 WeakPolarHBondContact O-CG 3.19Å; C93-M96 PolarHBondContact O-N 3.26Å; C93-F97 VanDerWaalsContact O-CD2 3.23Å; C93-F97 WeakPolarHBondContact O-CD2 3.45Å; C93-F97 WeakPolarHBondContact O-CE2 3.49Å; C93-F109 HydrophobicContact CB-CD1 4.26Å; C93-F109 HydrophobicContact CB-CD2 4.3Å; C93-F109 HydrophobicContact CB-CE1 4.21Å; C93-F109 HydrophobicContact CB-CE2 4.22Å; C93-F109 HydrophobicContact CB-CG 4.3Å; C93-F109 HydrophobicContact CB-CZ 4.18Å
94G73.6Confident81.5Confident19 Ų1966 Ų6620%0.19636%0.364CS..Hα-helixtrans-58.8-49.3-176.900000113.2H90 P91 M96 F97 E98H90-G94 PolarHBondContact O-N 3.02Å; P91-G94 PolarHBondContact O-N 3.44Å; G94-M96 PolarHBondContact O-N 3.28Å; G94-F97 PolarHBondContact O-N 3.13Å; G94-E98 PolarHBondContact O-N 3.32Å
95D77.4Confident80Confident122 Ų12267.5 Ų67.565%0.65235%0.354SS*.Hα-helixtrans-56.4-24.1-179.8-57.6-1.2000113F97D95-F97 PolarHBondContact O-N 3.2Å
96M74.8Confident78.3Confident61 Ų6179 Ų7930%0.339%0.393SS..Hα-helixtrans-73.3-10-178.9-51.3-168.7172.300114.2C93 G94 R105 F109C93-M96 WeakPolarHBondContact O-CB 3.41Å; C93-M96 WeakPolarHBondContact O-CG 3.19Å; C93-M96 PolarHBondContact O-N 3.26Å; G94-M96 PolarHBondContact O-N 3.28Å; M96-R105 PolarHBondContact O-NH2 3.48Å; M96-R105 VanDerWaalsContact SD-CZ 3.53Å; M96-F109 HydrophobicContact CE-CB 3.88Å; M96-F109 HydrophobicContact CE-CD2 3.43Å; M96-F109 VanDerWaalsContact CE-CD2 3.43Å; M96-F109 HydrophobicContact CE-CE2 4.36Å; M96-F109 HydrophobicContact CE-CG 4.05Å; M96-F109 HydrophobicContact SD-CB 4Å; M96-F109 HydrophobicContact SD-CD2 4.37Å
97F74Confident76.7Confident2 Ų286 Ų861%0.00942%0.424CS..Hα-helixtrans-125.2-15.6-174.5-59.3-75.2000113I19 A23 Q27 L89 C93 G94 D95 N99 G100 F102I19-F97 HydrophobicContact CG2-CE1 4.34Å; I19-F97 HydrophobicContact CG2-CZ 3.8Å; A23-F97 HydrophobicContact CB-CD1 3.82Å; A23-F97 HydrophobicContact CB-CD2 4.13Å; A23-F97 HydrophobicContact CB-CE1 3.8Å; A23-F97 HydrophobicContact CB-CE2 4.13Å; A23-F97 HydrophobicContact CB-CG 3.98Å; A23-F97 HydrophobicContact CB-CZ 3.96Å; Q27-F97 VanDerWaalsContact NE2-CB 3.32Å; L89-F97 HydrophobicContact CD2-CE2 4.32Å; C93-F97 VanDerWaalsContact O-CD2 3.23Å; C93-F97 WeakPolarHBondContact O-CD2 3.45Å; C93-F97 WeakPolarHBondContact O-CE2 3.49Å; G94-F97 PolarHBondContact O-N 3.13Å; D95-F97 PolarHBondContact O-N 3.2Å; F97-N99 PolarHBondContact O-N 2.85Å; F97-G100 PolarHBondContact O-N 2.85Å; F97-F102 HydrophobicContact CB-CD1 4.45Å; F97-F102 HydrophobicContact CB-CE1 3.83Å; F97-F102 HydrophobicContact CB-CZ 4.38Å; F97-F102 AromaticContact CD1-CD1 3.92Å; F97-F102 HydrophobicContact CD1-CD1 3.92Å; F97-F102 HydrophobicContact CD1-CE1 4.06Å; F97-F102 HydrophobicContact CG-CE1 4.35Å; F97-F102 WeakPolarHBondContact O-CZ 3.38Å
98E69.8Low75.5Confident147 Ų14792.7 Ų92.769%0.68745%0.449SS*.Hα-helixtrans-68.4-34.7-172.9-163165.9-169.700113.3G94 G100G94-E98 PolarHBondContact O-N 3.32Å; E98-G100 PolarHBondContact O-N 2.88Å; E98-G100 VanDerWaalsContact O-N 3.13Å
99N68.9Low74.5Confident153 Ų15393.8 Ų93.882%0.81845%0.452SS*.THydrogen-bonded Turntrans-83.822.6179-61.1-36000114.1F97 S101F97-N99 PolarHBondContact O-N 2.85Å; N99-S101 PolarHBondContact O-N 2.98Å
100G65.9Low73.6Confident51 Ų5199.7 Ų99.753%0.52648%0.477SS..SBendtrans73.56.4179.300000115.3F97 E98 F102F97-G100 PolarHBondContact O-N 2.85Å; E98-G100 PolarHBondContact O-N 2.88Å; E98-G100 VanDerWaalsContact O-N 3.13Å; G100-F102 PolarHBondContact O-N 3.24Å
101S74.1Confident72.9Confident64 Ų64102 Ų10245%0.44849%0.49SS..  trans-77.964.5177.5178.40000112.2N99 L103N99-S101 PolarHBondContact O-N 2.98Å; S101-L103 VanDerWaalsContact C-N 3.31Å
102F73.9Confident72.1Confident37 Ų37103.4 Ų103.416%0.16249%0.492CS..  trans-82.8-11.2172-62-74.5000113.2Y16 S20 M24 F97 G100Y16-F102 HydrophobicContact CD1-CB 3.99Å; Y16-F102 HydrophobicContact CE1-CB 3.9Å; S20-F102 VanDerWaalsContact CB-O 3.24Å; S20-F102 WeakPolarHBondContact CB-O 3.18Å; S20-F102 PolarHBondContact OG-O 3.2Å; M24-F102 HydrophobicContact CG-CD1 3.55Å; M24-F102 HydrophobicContact CG-CD2 4.4Å; M24-F102 HydrophobicContact CG-CE1 3.53Å; M24-F102 HydrophobicContact CG-CE2 4.38Å; M24-F102 HydrophobicContact CG-CG 4.01Å; M24-F102 HydrophobicContact CG-CZ 3.98Å; M24-F102 HydrophobicContact SD-CD1 4.32Å; M24-F102 HydrophobicContact SD-CD2 4.48Å; M24-F102 HydrophobicContact SD-CG 4.21Å; F97-F102 HydrophobicContact CB-CD1 4.45Å; F97-F102 HydrophobicContact CB-CE1 3.83Å; F97-F102 HydrophobicContact CB-CZ 4.38Å; F97-F102 AromaticContact CD1-CD1 3.92Å; F97-F102 HydrophobicContact CD1-CD1 3.92Å; F97-F102 HydrophobicContact CD1-CE1 4.06Å; F97-F102 HydrophobicContact CG-CE1 4.35Å; F97-F102 WeakPolarHBondContact O-CZ 3.38Å; G100-F102 PolarHBondContact O-N 3.24Å
103L72Confident71.2Confident103 Ų103106.3 Ų106.354%0.53950%0.495SS..SBendtrans-75.2154.6177.5-61.3177.4000111.2P15 Y16 S101 R105P15-L103 HydrophobicContact CB-CD2 4.37Å; P15-L103 HydrophobicContact CG-CD2 4.3Å; Y16-L103 HydrophobicContact CD1-CD2 4.27Å; Y16-L103 HydrophobicContact CE1-CD2 3.9Å; S101-L103 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 2.89Å
104R57.5Low70.1Confident237 Ų237110 Ų11089%0.89453%0.526SS*.  trans-43.2117-168.7-178.4174.7159.8-132.3-1.3113.7
105R62.9Low69.2Low83 Ų83114.7 Ų114.731%0.31354%0.543SS..  trans-74.4143.2179.2-163.9176.8-69.8128.74.9112.4M96 L103 K107M96-R105 PolarHBondContact O-NH2 3.48Å; M96-R105 VanDerWaalsContact SD-CZ 3.53Å; L103-R105 PolarHBondContact O-N 2.89Å; R105-K107 WeakPolarHBondContact CD-O 3.08Å; R105-K107 VanDerWaalsContact CG-O 3.25Å; R105-K107 WeakPolarHBondContact CG-O 3.35Å
106R59.7Low68Low264 Ų264114.5 Ų114.5100%0.99654%0.538SS*.SBendtrans-81.7-12176.3-63.6-173.3-164.9141.22.8114.6
107K63.9Low66.9Low179 Ų179118.1 Ų118.178%0.77856%0.555SS**SBendtrans-142.8133179.8-166.8174.4-179.1-178.50111.8R105R105-K107 WeakPolarHBondContact CD-O 3.08Å; R105-K107 VanDerWaalsContact CG-O 3.25Å; R105-K107 WeakPolarHBondContact CG-O 3.35Å
108R71.6Confident66Low170 Ų170121.5 Ų121.564%0.64258%0.584SS**  trans-74.9135.1179.1-73.2-177.8177.2-1075.6110.8
109F75.8Confident65.2Low31 Ų31118.4 Ų118.414%0.13658%0.579CS.*  trans-64136.8165.1176.3-105.7000108.6D69 C70 D92 C93 M96D69-F109 HydrophobicContact CB-CD1 3.97Å; D69-F109 HydrophobicContact CB-CE1 3.73Å; C70-F109 HydrophobicContact CB-CD1 4.42Å; C70-F109 VanDerWaalsContact SG-CD1 3.54Å; D92-F109 HydrophobicContact CB-CE2 3.88Å; D92-F109 HydrophobicContact CB-CZ 4Å; C93-F109 HydrophobicContact CB-CD1 4.26Å; C93-F109 HydrophobicContact CB-CD2 4.3Å; C93-F109 HydrophobicContact CB-CE1 4.21Å; C93-F109 HydrophobicContact CB-CE2 4.22Å; C93-F109 HydrophobicContact CB-CG 4.3Å; C93-F109 HydrophobicContact CB-CZ 4.18Å; M96-F109 HydrophobicContact CE-CB 3.88Å; M96-F109 HydrophobicContact CE-CD2 3.43Å; M96-F109 VanDerWaalsContact CE-CD2 3.43Å; M96-F109 HydrophobicContact CE-CE2 4.36Å; M96-F109 HydrophobicContact CE-CG 4.05Å; M96-F109 HydrophobicContact SD-CB 4Å; M96-F109 HydrophobicContact SD-CD2 4.37Å
110K76.9Confident64.2Low153 Ų153118.9 Ų118.967%0.66557%0.574SS**  trans-140.6124.7171.2-67.7-169.5176-173.30105.8L112K110-L112 PolarHBondContact O-N 3.2Å
111L78.2Confident63.3Low78 Ų78121.5 Ų121.541%0.40858%0.583SS.*  trans-66.3122.2170.8-17563.5000106.9D69 R113D69-L111 HydrophobicContact CB-CB 4.01Å; D69-L111 PolarHBondContact OD2-N 2.88Å; L111-R113 PolarHBondContact O-N 3.11Å
112L74.1Confident62.2Low122 Ų122122.4 Ų122.464%0.63959%0.59SS**  trans-71.389.7173.2-65.6179.4000107.3K110 A114K110-L112 PolarHBondContact O-N 3.2Å; L112-A114 PolarHBondContact O-N 3.24Å
113R67.3Low61.2Low156 Ų156126.5 Ų126.559%0.58962%0.62SS**  trans-51.9129.9169.3-179.3172.9150.2121-8.5107.7L111 E115 H116L111-R113 PolarHBondContact O-N 3.11Å; R113-E115 HydrophobicContact CG-CB 4.35Å; R113-E115 HydrophobicContact CG-CG 4.31Å; R113-E115 IonicContact CZ-OE1 3.58Å; R113-E115 IonicContact CZ-OE2 3.21Å; R113-E115 VanDerWaalsContact NE-CD 3.35Å; R113-E115 IonicContact NE-OE1 3.79Å; R113-E115 IonicContact NE-OE2 2.94Å; R113-E115 PolarHBondContact NE-OE2 3.33Å; R113-E115 IonicContact NH2-OE1 2.92Å; R113-E115 PolarHBondContact NH2-OE1 3.01Å; R113-E115 IonicContact NH2-OE2 2.69Å; R113-E115 PolarHBondContact NH2-OE2 3.46Å; R113-E115 PolarHBondContact O-N 2.77Å; R113-H116 PolarHBondContact O-N 2.99Å
114A60.4Low60.2Low79 Ų79128.6 Ų128.665%0.65363%0.629SS**THydrogen-bonded Turntrans-50-25.5-174.500000114L112 H116 M117 A118L112-A114 PolarHBondContact O-N 3.24Å; A114-H116 VanDerWaalsContact C-N 3.26Å; A114-H116 PolarHBondContact O-N 3.39Å; A114-M117 PolarHBondContact O-N 3.08Å; A114-M117 VanDerWaalsContact O-N 3.08Å; A114-A118 PolarHBondContact O-N 3.3Å
115E54.8Low59.9Low117 Ų117124.3 Ų124.355%0.54762%0.621SS.*Hα-helixtrans-64.5-23.6175.4-59.8-170.2174.700114.8R113 M117 S119R113-E115 HydrophobicContact CG-CB 4.35Å; R113-E115 HydrophobicContact CG-CG 4.31Å; R113-E115 IonicContact CZ-OE1 3.58Å; R113-E115 IonicContact CZ-OE2 3.21Å; R113-E115 VanDerWaalsContact NE-CD 3.35Å; R113-E115 IonicContact NE-OE1 3.79Å; R113-E115 IonicContact NE-OE2 2.94Å; R113-E115 PolarHBondContact NE-OE2 3.33Å; R113-E115 IonicContact NH2-OE1 2.92Å; R113-E115 PolarHBondContact NH2-OE1 3.01Å; R113-E115 IonicContact NH2-OE2 2.69Å; R113-E115 PolarHBondContact NH2-OE2 3.46Å; R113-E115 PolarHBondContact O-N 2.77Å; E115-M117 VanDerWaalsContact C-N 3.3Å; E115-S119 PolarHBondContact O-OG 3.19Å
116H52.2Low59.3Low118 Ų118128.9 Ų128.955%0.54665%0.645SS.*Hα-helixtrans-79.1-12.5173.7-99.295.6000113.6R113 A114 S119R113-H116 PolarHBondContact O-N 2.99Å; A114-H116 VanDerWaalsContact C-N 3.26Å; A114-H116 PolarHBondContact O-N 3.39Å; H116-S119 WeakPolarHBondContact CA-OG 3.41Å
117M51.4Low58.7Low136 Ų136126.3 Ų126.367%0.6764%0.637SS**Hα-helixtrans-87.2-33.4173.4-48.3-157.192.100110.7A114 E115 S119A114-M117 PolarHBondContact O-N 3.08Å; A114-M117 VanDerWaalsContact O-N 3.08Å; E115-M117 VanDerWaalsContact C-N 3.3Å; M117-S119 VanDerWaalsContact C-N 3.28Å; M117-S119 PolarHBondContact O-N 2.92Å
118A53.9Low57.9Low74 Ų74125.9 Ų125.961%0.61264%0.636SS**Hα-helixtrans-67.8-23.9175.300000113.8A114A114-A118 PolarHBondContact O-N 3.3Å
119S52.9Low56.7Low82 Ų82126.2 Ų126.257%0.57364%0.644SS**THydrogen-bonded Turntrans-93.8-1.1-176.338.70000114.8E115 H116 M117E115-S119 PolarHBondContact O-OG 3.19Å; H116-S119 WeakPolarHBondContact CA-OG 3.41Å; M117-S119 VanDerWaalsContact C-N 3.28Å; M117-S119 PolarHBondContact O-N 2.92Å
120K49.7Very low55.4Low163 Ų163133.6 Ų133.671%0.70968%0.679SS**SBendtrans-105.24.4179.4-72.7-176.2179.3178.90114.8S122K120-S122 VanDerWaalsContact C-N 3.3Å; K120-S122 PolarHBondContact O-N 2.96Å
121S45.7Very low54.1Low105 Ų105135.5 Ų135.573%0.73469%0.69SS**SBendtrans-85.622.5178.270.10000115.1
122S52.4Low52.5Low83 Ų83135.3 Ų135.358%0.5871%0.707SS**  trans-153.1100.6166.2-161.40000113.8K120K120-S122 VanDerWaalsContact C-N 3.3Å; K120-S122 PolarHBondContact O-N 2.96Å
123P51.3Low50.8Low123 Ų123139.4 Ų139.480%0.79972%0.72SS**SBendtrans-124.925.9139.336.4-26.5000111.9
124M51.9Low49.6Very low148 Ų148140.3 Ų140.373%0.72974%0.735SS**SBendtrans-12332.9-178.3-156.678.6-178.100112.4
125M50.2Low48.3Very low147 Ų147143 Ų14372%0.72475%0.749SS**SBendtrans-130.319.8173.6-88.6-65.6-78.800113.1
126H52Low47.2Very low178 Ų178141 Ų14182%0.82476%0.761SS**SBendtrans-116.86.9174.4-148.5-78.5000113.9
127Y46Very low46.2Very low210 Ų210138.5 Ų138.582%0.82477%0.766SS**SBendtrans-102.4-8.8178.3-136.5-89.4000114.2
128F47.7Very low45.5Very low170 Ų170140.7 Ų140.775%0.74677%0.774SS**SBendtrans-104.92.2-176-85-78.1000115.2
129H46.2Very low44.7Very low177 Ų177146.2 Ų146.282%0.81979%0.787SS**SBendtrans-95.38.9-176.6-145.677.3000115.3
130H49.1Very low43.6Very low187 Ų187149.7 Ų149.787%0.86679%0.794SS**SBendtrans-107.713.2-176.8-111.8-67.6000115.9
131Q48.4Very low43Very low193 Ų193149.8 Ų149.890%0.90280%0.797SS**  trans-128.799.1175.5-63.8-16637.600110.8
132G44Very low42.5Very low74 Ų74152.5 Ų152.576%0.76380%0.798SS**  trans16259.2171.500000116.1
133K39.6Very low41.7Very low208 Ų208151.7 Ų151.790%0.90480%0.803SS**  trans-164.699.5146.3-117.7166.6179.71770112.1
134L41.1Very low41.8Very low175 Ų175152.2 Ų152.292%0.91681%0.806SS**  trans-98124.7153.1-72.6169.3000107.2
135S34.5Very low41Very low134 Ų134150 Ų15094%0.93781%0.812SS**  trans177.2127.7136.2-170.90000110.1
136G31Very low40.3Very low77 Ų77147.7 Ų147.779%0.79482%0.816SS**  trans129.280.115400000117.8
137G32Very low39.6Very low64 Ų64143.1 Ų143.166%0.6681%0.809SS**  99.1116.512700000121.4
138H36.6Very low39.2Very low183 Ų183140 Ų14085%0.84781%0.812SS**  trans55.9107.6138.7-55.5-94.7000120.9
139H36.6Very low38.7Very low190 Ų190135.5 Ų135.588%0.8881%0.813SS**  -176.1148.2102.7-117.8-88.5000112.3
140E30.4Very low38.1Very low155 Ų155139.3 Ų139.372%0.72482%0.82SS**  trans-81.6140.3-171.9-170.5-170.6144.800113.2
141H36.7Very low37.5Very low165 Ų165138.3 Ų138.376%0.76482%0.82SS**  -175.5143.4123.8-121-13000115.2
142Q34.7Very low37.4Very low161 Ų161134.8 Ų134.875%0.75281%0.814SS**  trans-21.7140.2168.4-103.774.722.500116.9
143G35.9Very low36.9Very low66 Ų66138.8 Ų138.868%0.6881%0.813SS**  135.6165.257.800000109.2
144P53.9Low36.9Very low134 Ų134138 Ų13887%0.8781%0.809SS**  -113.4167-12640.1-33.6000115.8
145A33.7Very low36.6Very low103 Ų103137.6 Ų137.685%0.85180%0.803SS**  177.9149.6128.800000113.1
146A36Very low36.8Very low98 Ų98135.3 Ų135.381%0.8179%0.787SS**  trans-67.3161.9-172.700000115.1
147A36.7Very low36.9Very low82 Ų82142.8 Ų142.868%0.67879%0.793SS**  153.3142.598.600000113.6
148V38.8Very low37.1Very low145 Ų145143.1 Ų143.188%0.87980%0.796SS**  trans60.3125.1146.6-650000120.9
149G36.8Very low36.9Very low75 Ų75139.7 Ų139.777%0.77379%0.792SS**  trans-85.6176.6174.300000115.1
150R33.6Very low36.9Very low257 Ų257137.5 Ų137.597%0.9779%0.786SS**  trans-168.6144.7142.8-117.6-168.6-173.8-1415111.8
151L36.9Very low37.1Very low165 Ų165137.1 Ų137.186%0.86479%0.789SS**PPolyproline II helixtrans-65.4161.3173.8-146.660000111.5
152P45.9Very low36.7Very low119 Ų119135.5 Ų135.577%0.77379%0.794SS**PPolyproline II helixtrans-85.9144.6-163.831.5-21.7000112.9
153H33.1Very low36.6Very low159 Ų159131.4 Ų131.474%0.73680%0.796SS**PPolyproline II helixtrans-95.3125.5173.5-171.974.6000109.6
154F40.7Very low36.9Very low191 Ų191137.8 Ų137.884%0.83881%0.808SS**PPolyproline II helixtrans-80.6126.5172.3-166.7-91.3000108.9
155Q33.3Very low36.3Very low166 Ų166137.4 Ų137.478%0.77681%0.808SS**  trans-157.8125150.7-11217128.700112.4
156S39.6Very low36.9Very low86 Ų86136.2 Ų136.260%0.60181%0.806SS**  trans-73.5140.9165.8153.90000110
157Y32.8Very low37.2Very low235 Ų235134.8 Ų134.892%0.92280%0.801SS**  trans-168.4141.5130.8-101.2-76.6000108.7
158G36.3Very low38Very low71 Ų71140 Ų14073%0.73281%0.808SS**  trans-80.7172-174.500000115.4
159S32.4Very low39.1Very low110 Ų110140.4 Ų140.477%0.76980%0.798SS**  trans92109154.4-96.30000120.8
160I36.5Very low40.3Very low144 Ų144142.5 Ų142.574%0.73879%0.788SS**  trans99.2127.6131.3-58.3159.4000117.9
161N33.9Very low41.8Very low148 Ų148134.7 Ų134.779%0.79177%0.77SS**  trans70.2108162.9-83.49.2000118.7
162C29.6Very low42.9Very low130 Ų130134.7 Ų134.788%0.87876%0.764SS**  169.2158.297.956.30000110.5
163G31.6Very low44.3Very low76 Ų76130.7 Ų130.778%0.78474%0.74SS**  trans85106.6147.200000117.2
164Q43.5Very low45.5Very low200 Ų200129 Ų12994%0.93574%0.736SS**  trans-56.2141.3168-58.717511.900112.4
165S40.7Very low46.7Very low126 Ų126127.7 Ų127.788%0.88173%0.732SS**  -176.8141.5127.850.10000111.8
166G45.3Very low47.8Very low78 Ų78122.3 Ų122.380%0.80471%0.708SS**  trans95.755.7161.700000117.2F168G166-F168 PolarHBondContact O-N 2.69Å
167G42.7Very low49Very low67 Ų67123.2 Ų123.269%0.69171%0.706SS**  trans-68.8107.8178.400000114K169G167-K169 PolarHBondContact O-N 3.32Å; G167-K169 VanDerWaalsContact O-N 3.12Å
168F53Low50.4Low191 Ų191117.2 Ų117.284%0.83869%0.688SS**  trans-72.395.7157.2-154.7-92.4000108.1G166 H170G166-F168 PolarHBondContact O-N 2.69Å; F168-H170 PolarHBondContact O-N 2.94Å
169K62.5Low51.1Low154 Ų154114.9 Ų114.967%0.6767%0.665SS**  trans-84102-175.2-71.2-171.8-178.7-167.80109.9G167G167-K169 PolarHBondContact O-N 3.32Å; G167-K169 VanDerWaalsContact O-N 3.12Å
170H61.8Low52.2Low120 Ų120119.8 Ų119.856%0.55667%0.666SS**  trans-56.7130.9170.8-96.9-73.9000110F168 F172 A173 N176F168-H170 PolarHBondContact O-N 2.94Å; H170-F172 PolarHBondContact O-N 3.04Å; H170-A173 HydrophobicContact CB-CB 4.45Å; H170-A173 PolarHBondContact O-N 3.37Å; H170-A173 VanDerWaalsContact O-N 3.16Å; H170-N176 PolarHBondContact O-ND2 2.95Å
171P66.3Low53Low93 Ų93119.1 Ų119.160%0.60466%0.664SS**THydrogen-bonded Turntrans-65.9-4.6-177.624.3-32.2000113.7
172F59.1Low53.6Low165 Ų165119.3 Ų119.372%0.72466%0.655SS**THydrogen-bonded Turntrans-119.68.1-178.9-42.2-65.7000113.6H170H170-F172 PolarHBondContact O-N 3.04Å
173A74.9Confident54.4Low34 Ų34121 Ų12128%0.28165%0.647SS.*  trans-67.9134.2175.400000110H170 E175 N176 I177H170-A173 HydrophobicContact CB-CB 4.45Å; H170-A173 PolarHBondContact O-N 3.37Å; H170-A173 VanDerWaalsContact O-N 3.16Å; A173-E175 PolarHBondContact O-N 3.16Å; A173-E175 VanDerWaalsContact O-N 3.1Å; A173-N176 WeakPolarHBondContact O-CB 3.48Å; A173-N176 PolarHBondContact O-N 2.88Å; A173-I177 PolarHBondContact O-N 3.31Å
174I58.6Low55Low124 Ų124119.4 Ų119.464%0.63663%0.631SS**Hα-helixtrans-54.3-34.5-176.9-68.3167.7000111.2N176 I177 I178I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 3.12Å; I174-I177 PolarHBondContact O-N 3.27Å; I174-I178 HydrophobicContact CG2-CD1 3.42Å; I174-I178 VanDerWaalsContact CG2-CD1 3.42Å; I174-I178 HydrophobicContact CG2-CG1 4.1Å; I174-I178 WeakPolarHBondContact O-CG1 3.24Å; I174-I178 PolarHBondContact O-N 3.36Å
175E66.6Low55.3Low164 Ų164114.9 Ų114.977%0.76662%0.617SS**Hα-helixtrans-63.3-31.3176.9-56.5176.1-150.100113.5A173 G179A173-E175 PolarHBondContact O-N 3.16Å; A173-E175 VanDerWaalsContact O-N 3.1Å; E175-G179 VanDerWaalsContact O-CA 3.24Å; E175-G179 WeakPolarHBondContact O-CA 3.5Å; E175-G179 PolarHBondContact O-N 3.1Å
176N57.2Low55.8Low52 Ų52117.3 Ų117.328%0.27862%0.616SS.*Hα-helixtrans-84.1-22.1176.6-72-32.9000112.8H170 A173 I174H170-N176 PolarHBondContact O-ND2 2.95Å; A173-N176 WeakPolarHBondContact O-CB 3.48Å; A173-N176 PolarHBondContact O-N 2.88Å; I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 3.12Å
177I63.9Low56.1Low106 Ų106119.2 Ų119.254%0.54461%0.612SS.*Hα-helixtrans-80.8-44.7176.2-60.7171.5000109.5A173 I174A173-I177 PolarHBondContact O-N 3.31Å; I174-I177 PolarHBondContact O-N 3.27Å
178I61.4Low56.1Low108 Ų108120.1 Ų120.155%0.55461%0.608SS**Hα-helixtrans-77.6-28.4177.9-57.5176.1000110.8I174 R180 D181I174-I178 HydrophobicContact CG2-CD1 3.42Å; I174-I178 VanDerWaalsContact CG2-CD1 3.42Å; I174-I178 HydrophobicContact CG2-CG1 4.1Å; I174-I178 WeakPolarHBondContact O-CG1 3.24Å; I174-I178 PolarHBondContact O-N 3.36Å; I178-R180 PolarHBondContact O-N 2.93Å; I178-D181 PolarHBondContact O-N 3.4Å
179G52.7Low56.1Low23 Ų23114.4 Ų114.424%0.23760%0.603CS.*Hα-helixtrans-70.6-22.3-173.400000117.1E175 D181E175-G179 VanDerWaalsContact O-CA 3.24Å; E175-G179 WeakPolarHBondContact O-CA 3.5Å; E175-G179 PolarHBondContact O-N 3.1Å; G179-D181 VanDerWaalsContact C-N 3.34Å
180R55.4Low55.8Low212 Ų212113.4 Ų113.480%0.860%0.604SS**Hα-helixtrans-72.7-29.5178.3-88.4-173-177.7128.40.3112.8I178I178-R180 PolarHBondContact O-N 2.93Å
181D52.7Low55.5Low130 Ų130113.3 Ų113.370%0.69562%0.615SS**Hα-helixtrans-98.8-13.5-167.6-57.4-41.5000113.6I178 G179I178-D181 PolarHBondContact O-N 3.4Å; G179-D181 VanDerWaalsContact C-N 3.34Å
182Y46.6Very low54.8Low153 Ų153115.1 Ų115.160%0.662%0.618SS**Hα-helixtrans-95.6-23.717986.4-99.5000114.4
183K46.5Very low54.4Low165 Ų165111.2 Ų111.272%0.71761%0.608SS**SBendtrans-94.3-2.7-176-128-166.9-176-157.80114.9
184G43.9Very low53.2Low42 Ų42114.2 Ų114.243%0.43363%0.626SS.*SBendtrans-91.3-15.1172.100000114.5M186G184-M186 PolarHBondContact O-N 3.48Å
185V50.1Low52.8Low106 Ų106113.6 Ų113.664%0.64263%0.628SS**THydrogen-bonded Turntrans-83.9-5.5-170.4149.30000114.7
186M51.9Low52Low177 Ų177111.6 Ų111.687%0.87262%0.62SS**THydrogen-bonded Turntrans-116.11-175.9-52.3-80.2-92.700113.9G184G184-M186 PolarHBondContact O-N 3.48Å
187T49.8Very low51.8Low117 Ų117116.9 Ų116.972%0.71864%0.643SS**THydrogen-bonded Turntrans-132.51.7-173.2-172.70000116
188S44.4Very low51.1Low86 Ų86120.4 Ų120.460%0.60166%0.657SS**SBendtrans-164.8114.3163.851.80000107.1
189G52.1Low50.7Low72 Ų72121.8 Ų121.874%0.74267%0.665SS**  trans-53.6148.6173.300000111.1
190L55.6Low50.5Low132 Ų132124.2 Ų124.269%0.69169%0.69SS**  trans98.7107.6172.4-47.3-175.9000115.1T193L190-T193 HydrophobicContact CD2-CG2 3.9Å
191P56Low50.1Low119 Ų119122.7 Ų122.777%0.77369%0.685SS**SBend-143.777.3108.937.6-21.9000112.5
192I52.1Low50Low131 Ų131122.4 Ų122.467%0.67269%0.691SS**SBendtrans-133.1-9.6165-55179.6000112.2S194I192-S194 PolarHBondContact O-N 2.92Å
193T50.3Low50.2Low83 Ų83121.3 Ų121.351%0.50970%0.7SS.*G310 helixtrans-77.6-21.5-177.457.20000113.9L190 V195 M196L190-T193 HydrophobicContact CD2-CG2 3.9Å; T193-V195 PolarHBondContact O-N 3.18Å; T193-M196 PolarHBondContact O-N 3.46Å
194S50Low50.5Low96 Ų96118.8 Ų118.867%0.67170%0.7SS**G310 helixtrans-71.8-17-177.4-1690000113.7I192I192-S194 PolarHBondContact O-N 2.92Å
195V50.1Low51Low111 Ų111121.5 Ų121.567%0.67372%0.718SS**G310 helixtrans-91.6-18.4-179.9-162.80000111.6T193T193-V195 PolarHBondContact O-N 3.18Å
196M50.3Low51.2Low122 Ų122124.9 Ų124.960%0.60173%0.727SS**G310 helixtrans-82.9-12.3-179.8-71.1176.889.800114T193 H198T193-M196 PolarHBondContact O-N 3.46Å; M196-H198 VanDerWaalsContact C-N 3.34Å; M196-H198 PolarHBondContact O-N 3.19Å
197Q51.8Low51.4Low163 Ų163123.5 Ų123.576%0.76272%0.722SS**G310 helixtrans-74.9-17.3179.8-74.5-178.2-21.900114.4
198H48.8Very low51.4Low181 Ų181122.5 Ų122.584%0.83872%0.721SS**G310 helixtrans-98.71.8-177.5-121.567.2000114.6M196M196-H198 VanDerWaalsContact C-N 3.34Å; M196-H198 PolarHBondContact O-N 3.19Å
199L54.2Low51.7Low136 Ų136123.8 Ų123.871%0.71273%0.729SS**THydrogen-bonded Turntrans-121.113.1-176-68.3172.1000114.5
200G48.3Very low51.9Low74 Ų74126.2 Ų126.276%0.76373%0.729SS**THydrogen-bonded Turntrans75.429.216100000117.7
201Y47.2Very low51.6Low180 Ų180125.2 Ų125.271%0.70673%0.729SS**  trans-92.4138.1172.1-77.6-85.1000112.4
202P50.2Low51.4Low124 Ų124126 Ų12681%0.80573%0.726SS**  trans-77.4134.2178.630.4-32.3000111.7
203V50.8Low51.4Low130 Ų130125.4 Ų125.479%0.78873%0.734SS**  trans-106139177.1179.20000110.3
204P53Low51.5Low113 Ų113128.6 Ų128.673%0.73475%0.745SS**  trans-66.6147.5-178.9-19.432.1000114.7Q206P204-Q206 VanDerWaalsContact C-N 3.35Å; P204-Q206 PolarHBondContact O-N 3.45Å
205A54.7Low51.4Low98 Ų98134 Ų13481%0.8175%0.75SS**THydrogen-bonded Turntrans-76.557.4-167.500000116.2
206Q54.3Low51.2Low177 Ų177135 Ų13583%0.82776%0.759SS**THydrogen-bonded Turntrans-127.21.6175.7-74.9-78.7-36.100114.9P204P204-Q206 VanDerWaalsContact C-N 3.35Å; P204-Q206 PolarHBondContact O-N 3.45Å
207L55.2Low51.3Low148 Ų148137.7 Ų137.778%0.77577%0.77SS**  trans-133.433.9-176.9-66.2174.4000114.3
208S49.3Very low51.1Low97 Ų97136.8 Ų136.868%0.67878%0.775SS**  trans-82.3-15.4179.5-165.50000114.2V210S208-V210 PolarHBondContact O-N 3.37Å
209S52.6Low50.7Low112 Ų112131.6 Ų131.678%0.78377%0.771SS**THydrogen-bonded Turntrans-80.8-15.8-165.8-159.50000115.8
210V54.7Low50Low123 Ų123133.9 Ų133.975%0.74578%0.78SS**THydrogen-bonded Turntrans-109.10.6-171.4-840000115.9S208S208-V210 PolarHBondContact O-N 3.37Å
211V50.7Low49.8Very low112 Ų112138.7 Ų138.768%0.67979%0.787SS**SBendtrans-97.5-13.3179.2168.40000113.6S213V211-S213 VanDerWaalsContact C-N 3.33Å; V211-S213 PolarHBondContact O-N 3.29Å
212N50.7Low49.5Very low135 Ų135135.1 Ų135.172%0.72279%0.788SS**G310 helixtrans-80.5-5.7-176.7-79.9-17.3000115.3M214N212-M214 PolarHBondContact O-N 3.44Å
213S53.2Low48.7Very low118 Ų118134.8 Ų134.883%0.82578%0.78SS**G310 helixtrans-88.94.7-175.3-56.70000115.3V211V211-S213 VanDerWaalsContact C-N 3.33Å; V211-S213 PolarHBondContact O-N 3.29Å
214M51.7Low47.9Very low150 Ų150134.2 Ų134.274%0.73978%0.782SS**G310 helixtrans-118.89.3-174.1-153.1157.775.200115.9N212N212-M214 PolarHBondContact O-N 3.44Å
215W48.4Very low47.3Very low210 Ų210136.9 Ų136.980%0.79579%0.787SS**  trans-151.491.3175.4-66.298.2000112.8H217W215-H217 VanDerWaalsContact C-N 3.27Å; W215-H217 PolarHBondContact O-N 3.14Å; W215-H217 VanDerWaalsContact O-N 3.14Å
216P44.5Very low46.4Very low132 Ų132137.9 Ų137.986%0.85779%0.787SS**THydrogen-bonded Turntrans-85.334-177.834.4-33.6000114.1
217H52.4Low45.4Very low179 Ų179133.7 Ų133.783%0.82978%0.783SS**THydrogen-bonded Turntrans-153.124.6-179.2-140.2-68.9000119.2W215W215-H217 VanDerWaalsContact C-N 3.27Å; W215-H217 PolarHBondContact O-N 3.14Å; W215-H217 VanDerWaalsContact O-N 3.14Å
218V48.9Very low44.5Very low144 Ų144135.2 Ų135.287%0.87379%0.789SS**SBendtrans-137.993.4168.4-167.90000109.4
219G40.1Very low44.1Very low72 Ų72136.2 Ų136.274%0.74279%0.793SS**  trans16877.517500000113.2
220M39.9Very low43.4Very low184 Ų184138.4 Ų138.491%0.90680%0.795SS**  trans-149.977151.9-89.1-138.274.700109.3
221L43.8Very low43.3Very low174 Ų174138.1 Ų138.191%0.91180%0.796SS**SBendtrans-144.1129.8147.9-73.4-179.9000107.8
222S39.8Very low42.4Very low105 Ų105139.3 Ų139.373%0.73480%0.803SS**  trans71.294.6168.9-154.20000116.6
223D33.6Very low41.7Very low118 Ų118138 Ų13863%0.63181%0.805SS**  173.5126.495.3-113.2-66.7000108.7
224S35.2Very low40.8Very low118 Ų118138.4 Ų138.483%0.82581%0.807SS**  trans174.881.6147-77.30000109.3
225M39.3Very low40.1Very low169 Ų169140 Ų14083%0.83381%0.812SS**  trans-58.5120.314148.1-176149.700108.3
226S35.8Very low39.5Very low118 Ų118140.1 Ų140.183%0.82581%0.814SS**  trans147.8131.3145.6-164.20000111
227A33.8Very low39.4Very low90 Ų90138 Ų13874%0.74481%0.808SS**  trans7389.9164.200000118.5
228M36.8Very low39.3Very low180 Ų180133.5 Ų133.589%0.88780%0.795SS**  trans-118133.7144.3-73.4-72.1-78.300108.5
229P40.8Very low38.7Very low117 Ų117136.1 Ų136.176%0.7680%0.795SS**  trans-96.8127147.318.5-1000109.5
230L38.1Very low38.6Very low159 Ų159136.5 Ų136.583%0.83280%0.798SS**  trans-57.1161.8154.7-79.5166.2000109.6
231P51.5Low38.8Very low117 Ų117134.7 Ų134.776%0.7680%0.798SS**  cis-150.817039.838.3-15.7000118
232V32Very low38.7Very low136 Ų136132 Ų13282%0.82479%0.793SS**  143.3136.1122.6113.90000113.9
233S36.8Very low38.8Very low109 Ų109136.1 Ų136.176%0.76280%0.803SS**  trans-56.9152.5-176-54.20000116.5
234S34.1Very low38.9Very low125 Ų125139.1 Ų139.187%0.87481%0.81SS**  -159.7121.2129.8-142.40000111.1
235E35.7Very low38.8Very low183 Ų183140.2 Ų140.286%0.85581%0.807SS**  trans-72.6134.9170.8-62.5174.3109.300110.4
236Y37.3Very low38.8Very low213 Ų213139.6 Ų139.684%0.83581%0.807SS**  trans-176.3120.5131.4-136.9-108.3000110.4P238Y236-P238 HydrophobicContact CD1-CG 4.36Å
237A41.8Very low38.8Very low87 Ų87145 Ų14572%0.71981%0.811SS**  trans-85150.3156.700000108.4
238P50.7Low39.2Very low86 Ų86149.9 Ų149.956%0.55882%0.817SS**  -150.8159.2117.532.8-13.4000115.7Y236Y236-P238 HydrophobicContact CD1-CG 4.36Å
239F36.1Very low39.3Very low199 Ų199150.3 Ų150.387%0.87382%0.817SS**  trans92.989.1166-51.9-66.3000117.3
240G38.1Very low39Very low79 Ų79149.7 Ų149.781%0.81482%0.821SS**  trans-75.5147.4162.200000112.6
241V44.4Very low39Very low147 Ų147147.7 Ų147.789%0.89182%0.821SS**  trans-124.7129.4157.6-850000108.1
242S41.8Very low38.3Very low117 Ų117145.4 Ų145.482%0.81882%0.819SS**  trans-78.7126-179.6178.10000110.2
243M40.6Very low38.6Very low192 Ų192147.4 Ų147.495%0.94682%0.819SS**  trans-121.8122.7158.1-79.9-126.9-83.100109
244K35.8Very low39.2Very low180 Ų180147.8 Ų147.878%0.78382%0.817SS**  trans-90.4132.1176.648.5178.2176.8-178.80110.2
245D32.6Very low39.9Very low142 Ų142150 Ų15076%0.75982%0.818SS**  trans57.9102.8142.1-56.1-39000120.2
246L39.8Very low40.5Very low156 Ų156146.6 Ų146.682%0.81781%0.812SS**  -176.8113.7100.1-125.770.1000107.5
247Y37Very low41Very low232 Ų232143 Ų14391%0.9181%0.812SS**  trans-177.2114.8141-98.8-71.3000108.5H249Y247-H249 PolarHBondContact O-N 3.48Å
248H41.4Very low41.5Very low191 Ų191147 Ų14788%0.88482%0.818SS**  trans-62122.7173.2-85-85.2000110.9
249H37.8Very low41.8Very low190 Ų190148.4 Ų148.488%0.8883%0.827SS**  trans-85.4123.5152.2-83.6-94.2000108.4Y247Y247-H249 PolarHBondContact O-N 3.48Å
250A35.1Very low43.2Very low103 Ų103144.9 Ų144.985%0.85182%0.822SS**  trans-112.7114.3166.100000109
251S37.7Very low44Very low117 Ų117147 Ų14782%0.81882%0.821SS**  trans-83.3135169.949.30000111.3
252G38.3Very low44.5Very low70 Ų70147.8 Ų147.872%0.72282%0.819SS**  trans58.4115.2141.400000120.7
253Q37Very low45Very low178 Ų178151.3 Ų151.383%0.83282%0.819SS**  158.4125.2114-83.6-151.670.200113.3
254T50.9Low45.5Very low116 Ų116147.6 Ų147.671%0.71281%0.81SS**  trans39.4110.9141.960.90000121.6
255L47.1Very low46.4Very low171 Ų171145.2 Ų145.290%0.89581%0.81SS**  trans-147.4144.5149.8-78.4-179.9000111.5
256P48.3Very low47.5Very low113 Ų113144.7 Ų144.773%0.73481%0.814SS**PPolyproline II helixtrans-81.5147-173.232.3-34.1000113.7M258P256-M258 PolarHBondContact O-N 3.36Å
257T47.6Very low47.7Very low138 Ų138142.7 Ų142.785%0.84781%0.814SS**PPolyproline II helixtrans-55.1117.1171.5-64.90000112.1
258M53.1Low48.6Very low169 Ų169140.3 Ų140.383%0.83381%0.813SS**PPolyproline II helixtrans-89.1126.2164.7-77.7-72.8-170.900109.8P256P256-M258 PolarHBondContact O-N 3.36Å
259P57.8Low48.9Very low116 Ų116134.2 Ų134.275%0.75380%0.802SS**PPolyproline II helixtrans-75.5134.8172.8-5.922.3000110.9
260V65.5Low49.9Very low126 Ų126131.1 Ų131.176%0.76480%0.799SS**PPolyproline II helixtrans-74.1134.5176.3-171.60000110.1I262V260-I262 PolarHBondContact O-N 2.92Å
261P54.9Low50.8Low123 Ų123134.5 Ų134.580%0.79980%0.799SS**PPolyproline II helixtrans-65.4118.9176.7-20.832.4000112.2
262I54.8Low51.5Low163 Ų163134.3 Ų134.384%0.83680%0.795SS**PPolyproline II helixtrans-79.6118.8172.3-42.8172.5000107.4V260 P264V260-I262 PolarHBondContact O-N 2.92Å; I262-P264 WeakPolarHBondContact O-CD 3.35Å
263K51.9Low51.8Low191 Ų191134.6 Ų134.683%0.8380%0.798SS**PPolyproline II helixtrans-66.7126.5175.3-177.3172.1174.5170.30109.9
264P50Low52Low115 Ų115134.6 Ų134.675%0.74780%0.802SS**PPolyproline II helixtrans-70.5134.8177.4-16.429.4000112.4I262I262-P264 WeakPolarHBondContact O-CD 3.35Å
265T56.7Low51.7Low130 Ų130134.7 Ų134.780%0.79881%0.808SS**PPolyproline II helixtrans-57.6140.4161.7-9.20000110.5S267T265-S267 PolarHBondContact O-N 3.43Å
266P54.7Low51.2Low130 Ų130130.3 Ų130.384%0.84480%0.804SS**PPolyproline II helixtrans-75.3118.3174.428.6-30.6000110.7
267S44.7Very low51Low115 Ų115132.5 Ų132.580%0.80481%0.809SS**PPolyproline II helixtrans-93.3127.8169.7-178.30000109.3T265T265-S267 PolarHBondContact O-N 3.43Å
268M54.7Low51.5Low182 Ų182131.2 Ų131.290%0.89780%0.803SS**PPolyproline II helixtrans-73.6123.1170.9-70.5-97.374.900109.3
269G49.4Very low51.8Low62 Ų62128.9 Ų128.964%0.63980%0.8SS**  trans-107.1152.6170.300000111.8
270P58.2Low50.9Low126 Ų126126.9 Ų126.982%0.81880%0.8SS**  trans-91.1151.6-172.436.4-32.4000112.6
271M54.6Low50.2Low173 Ų173126.6 Ų126.685%0.85280%0.801SS**  trans-109.4129.8171.3-84.1-94.361.200111.3
272P52.5Low49.6Very low114 Ų114125 Ų12574%0.7479%0.793SS**  trans-86149.5166.5-2.622.9000111.4
273G44.6Very low49Very low76 Ų76126.2 Ų126.278%0.78480%0.795SS**  trans-91.8-176.8-172.300000116.2
274L41.3Very low48.4Very low177 Ų177124.9 Ų124.993%0.92780%0.796SS**  trans-148.6147.6157.3-102.3164.7000110.2
275S43.5Very low47.5Very low119 Ų119125.4 Ų125.483%0.83280%0.801SS**  trans-91.1161.4-152.3-44.60000115.1
276G37.2Very low46.7Very low78 Ų78124.4 Ų124.480%0.80480%0.799SS**  trans17771.1167.800000116.1
277L43.3Very low46.6Very low160 Ų160123.7 Ų123.784%0.83880%0.795SS**  trans-45.3173.7162.9-97.3144.8000115.5
278P58.1Low46.2Very low111 Ų111123.2 Ų123.272%0.72179%0.792SS**  cis-142.2-1516.347.5-25000114.5
279P60Low45.5Very low119 Ų119119.3 Ų119.377%0.77378%0.782SS**  -136.3166.7-11336.1-11000118.9
280G38.1Very low44.8Very low74 Ų74123.4 Ų123.476%0.76379%0.788SS**  trans88.9166.8145.300000119.4
281P51.3Low43.8Very low121 Ų121124 Ų12479%0.78678%0.784SS**  cis-129.7166.8-836.5-17.4000116.4
282S43.1Very low43Very low90 Ų90122 Ų12263%0.62977%0.773SS**  trans-33.7144.5163.748.20000120.5
283H42.2Very low42.3Very low187 Ų187124.3 Ų124.387%0.86677%0.771SS**  trans-160.4106.5138.9-75.7-75.5000107.4
284L38.7Very low41.8Very low163 Ų163127.2 Ų127.285%0.85377%0.769SS**  51.8127.580.5-79169.4000117.1
285C31.3Very low41.5Very low126 Ų126122 Ų12285%0.85176%0.757SS**  trans109.2112.4153.4-81.60000120.1
286S38.9Very low41.1Very low109 Ų109122.2 Ų122.276%0.76276%0.759SS**  -85.4170.5129.8-58.20000108.1
287P53.3Low41.4Very low116 Ų116126.2 Ų126.275%0.75376%0.762SS**  cis-144.6-172.217.840.5-17.9000116.9
288S36.3Very low42.1Very low105 Ų105123.5 Ų123.573%0.73475%0.754SS**  trans78.2119.1147.1-65.80000124
289S38.7Very low41.3Very low99 Ų99124.7 Ų124.769%0.69275%0.753SS**  trans23.4133.7134.461.60000122.5
290L34.9Very low40.3Very low148 Ų148128 Ų12878%0.77576%0.759SS**  161.2142.2110-108.3153.5000114.5
291L37.7Very low40.2Very low139 Ų139128 Ų12873%0.72876%0.758SS**  trans68.8143.6147.4-12572000118.3
292E38.2Very low39.6Very low131 Ų131131.7 Ų131.761%0.61277%0.767SS**  cis-166.8149.321.3-158.6-173.3114.200110.9
293K38.7Very low39.3Very low162 Ų162131 Ų13170%0.70477%0.774SS**  trans46.1153.8144.3-84.7164.1132.8175.90122.4
294N32.5Very low39.2Very low138 Ų138129.9 Ų129.974%0.73877%0.774SS**  cis-150.9151.416.2-99.6-28.8000104.8
295G34.8Very low39.8Very low67 Ų67127.2 Ų127.269%0.69177%0.767SS**  cis110.1102.236.600000109.1
296S36.3Very low40.4Very low123 Ų123128.5 Ų128.586%0.8676%0.764SS**  trans164.791.9141.240.90000113.3
297D42.6Very low40.8Very low163 Ų163131.4 Ų131.487%0.87277%0.765SS**  trans-90.2179.4133.3-84.2-44.9000106.8
298P58.9Low40.8Very low103 Ų103131.2 Ų131.267%0.66976%0.764SS**  cis-140.3-17814.925.23.9000113
299L40.4Very low41.1Very low135 Ų135131.7 Ų131.771%0.70776%0.762SS**  176.5124.676.8-82.8168.1000107.4
300E39.1Very low41.8Very low190 Ų190135.6 Ų135.689%0.88877%0.774SS**  70.6136103.6-70.8-152.5125.300117.8
301G35.9Very low42.8Very low72 Ų72135.2 Ų135.274%0.74277%0.772SS**  trans143.586.414500000118.1
302M39.4Very low43.2Very low200 Ų200135.7 Ų135.799%0.98578%0.775SS**  trans30134.7141.5-80.2-163.7157.400122.8
303G35.8Very low44.7Very low74 Ų74138.6 Ų138.676%0.76380%0.804SS**  112.6106.7121.300000117.7
304N41.5Very low45Very low164 Ų164137.4 Ų137.488%0.87781%0.809SS**  trans-69.7145.9146.9-80.7-26.1000108.1
305P50.9Low45.6Very low107 Ų107137.4 Ų137.470%0.69581%0.813SS**  -158.4167.378.841.3-20000118.5
306I43.2Very low46.2Very low154 Ų154141.3 Ų141.379%0.7982%0.82SS**  trans74.4129149.9-60149.1000121.2
307H47Very low46.8Very low169 Ų169142.4 Ų142.478%0.78282%0.818SS**  trans-7.5150.2157.8-80.6-87.9000121.2
308P53.1Low47.1Very low113 Ų113141.1 Ų141.173%0.73481%0.814SS**  -138.6138.695.226.1-6.4000113.6
309V44Very low46.3Very low114 Ų114143.6 Ų143.669%0.69182%0.824SS**  47.5103.6101.9-175.80000114
310L53.1Low46.7Very low182 Ų182144.2 Ų144.295%0.95383%0.832SS**  trans-137.8133.8144.5-78.7-178.1000109.8
311L55.6Low47.3Very low140 Ų140140.7 Ų140.773%0.73383%0.828SS**  trans-120.7154.3-171-154.8146000106.3
312L47Very low48.2Very low149 Ų149146.4 Ų146.478%0.7884%0.835SS**  trans94154.9169.4-77.5111.3000119.3
313P68Low49Very low191 Ų191141.5 Ų141.5100%1.2482%0.822SS**  cis-109.80-9.828-10.9000114

Retrieved 313 of 313 residues in 734.6 ms (Link to these results)