A0A087YPR7_POEFO Loading...

Forkhead box B1a

AlphaFold DB , UniProt , Accession A0A087YPR7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M50.7Low58.1Low231 Ų231131 Ų131100%1.13867%0.665SS**  0139.20-57.117690.700108.4
2P64.3Low60.4Low126 Ų126130.8 Ų130.882%0.81866%0.659SS**PPolyproline II helixtrans-59.9146.2170.9-20.533.1000110.9
3R55.7Low62.6Low230 Ų230130.2 Ų130.287%0.86865%0.65SS**PPolyproline II helixtrans-78134.2167.4-70.3-176.5177.7177.90.1108.5
4P58.8Low64.5Low78 Ų78122.1 Ų122.151%0.50661%0.611SS.*PPolyproline II helixtrans-51.9152.9170.6-28.134.7000112.8T8 Y9P4-T8 WeakPolarHBondContact CB-OG1 3.44Å; P4-Y9 HydrophobicContact CB-CE2 4.04Å; P4-Y9 WeakPolarHBondContact O-CE2 3.26Å
5G55Low66.2Low47 Ų47120.5 Ų120.549%0.48561%0.613SS.*PPolyproline II helixtrans-64.3151178.300000112.1N7 T8 Y9G5-N7 PolarHBondContact O-N 3.22Å; G5-T8 PolarHBondContact O-N 2.85Å; G5-T8 VanDerWaalsContact O-N 3.09Å; G5-T8 PolarHBondContact O-OG1 3.39Å; G5-T8 VanDerWaalsContact O-OG1 3.08Å; G5-Y9 WeakPolarHBondContact O-CD2 3.28Å
6R55.1Low67.8Low232 Ų232117.5 Ų117.588%0.87559%0.592SS**G310 helixtrans-47.1-33.4-179.4-105.3-177.9175.5176.4-1113.7
7N52.4Low69.4Low140 Ų140112.9 Ų112.975%0.74957%0.574SS**G310 helixtrans-79.7-19.3-171.3-56.32.5000113.4G5 Y9 S10G5-N7 PolarHBondContact O-N 3.22Å; N7-Y9 PolarHBondContact O-N 2.87Å; N7-S10 PolarHBondContact O-OG 3.36Å
8T54Low70.8Confident79 Ų79109.3 Ų109.349%0.48555%0.553SS.*G310 helixtrans-81.82.7176.460.60000113.1P4 G5 Q12P4-T8 WeakPolarHBondContact CB-OG1 3.44Å; G5-T8 PolarHBondContact O-N 2.85Å; G5-T8 VanDerWaalsContact O-N 3.09Å; G5-T8 PolarHBondContact O-OG1 3.39Å; G5-T8 VanDerWaalsContact O-OG1 3.08Å; T8-Q12 WeakPolarHBondContact O-CG 3.3Å
9Y55.1Low72.1Confident126 Ų126105.3 Ų105.349%0.49453%0.532SS..G310 helixtrans-99.1-11.5-178.6-71.2-78.9000114.2P4 G5 N7 D11P4-Y9 HydrophobicContact CB-CE2 4.04Å; P4-Y9 WeakPolarHBondContact O-CE2 3.26Å; G5-Y9 WeakPolarHBondContact O-CD2 3.28Å; N7-Y9 PolarHBondContact O-N 2.87Å; Y9-D11 VanDerWaalsContact C-N 3.25Å; Y9-D11 PolarHBondContact O-N 3.35Å
10S62.2Low73.2Confident50 Ų50100.2 Ų100.235%0.3551%0.507SS..SBendtrans-65.1-32.5175.348.30000112.9N7 Y49N7-S10 PolarHBondContact O-OG 3.36Å; S10-Y49 PolarHBondContact O-N 3.07Å
11D75.5Confident74.3Confident102 Ų10295.4 Ų95.455%0.54548%0.482SS..SBendtrans-104.72-170.5-39.4-26.1000110.8Y9 Y49Y9-D11 VanDerWaalsContact C-N 3.25Å; Y9-D11 PolarHBondContact O-N 3.35Å; D11-Y49 VanDerWaalsContact O-CD2 3.27Å; D11-Y49 WeakPolarHBondContact O-CD2 3.16Å
12Q85.6Confident76.4Confident128 Ų12884.4 Ų84.460%0.59843%0.428SS*.SBendtrans-86.7139.5169.9-71.7-63.4-29.500110T8 P14T8-Q12 WeakPolarHBondContact O-CG 3.3Å; Q12-P14 VanDerWaalsContact O-CD 3.29Å; Q12-P14 WeakPolarHBondContact O-CD 3.21Å
13K88.8Confident77.9Confident123 Ų12378.4 Ų78.454%0.53539%0.389SS..PPolyproline II helixtrans-58.2119.7-179.6-176.5174.6179.1179.50110.5Y49K13-Y49 HydrophobicContact CB-CD1 4.22Å; K13-Y49 HydrophobicContact CB-CD2 4.48Å; K13-Y49 HydrophobicContact CB-CE1 3.75Å; K13-Y49 HydrophobicContact CB-CE2 4.04Å; K13-Y49 HydrophobicContact CD-CE1 4.14Å; K13-Y49 HydrophobicContact CG-CD1 4.21Å; K13-Y49 HydrophobicContact CG-CE1 3.58Å
14P90.3Very high79.8Confident17 Ų1768.5 Ų68.511%0.1135%0.353CS..PPolyproline II helixtrans-59.2148.1-179.6-25.734.8000112.4Q12 Y16 F47 Y50Q12-P14 VanDerWaalsContact O-CD 3.29Å; Q12-P14 WeakPolarHBondContact O-CD 3.21Å; P14-Y16 HydrophobicContact CB-CD2 3.73Å; P14-Y16 HydrophobicContact CB-CE2 4.39Å; P14-Y16 PolarHBondContact O-N 3.39Å; P14-F47 HydrophobicContact CB-CD1 3.97Å; P14-F47 HydrophobicContact CB-CE1 4.1Å; P14-F47 HydrophobicContact CG-CB 3.97Å; P14-F47 HydrophobicContact CG-CD1 3.48Å; P14-F47 VanDerWaalsContact CG-CD1 3.48Å; P14-F47 HydrophobicContact CG-CE1 4.13Å; P14-F47 HydrophobicContact CG-CG 3.83Å; P14-Y50 HydrophobicContact CG-CE2 4.04Å
15P89.8Confident81.5Confident98 Ų9864.8 Ų64.864%0.63633%0.329SS*.SBendtrans-74.829.5-178.333-37.5000113.7
16Y92.3Very high83.4Confident73 Ų7362.6 Ų62.629%0.28631%0.306SS..  trans-110.6143.2-174.4-61.5-55.2000111.2P14 L21 M24 F47 F102P14-Y16 HydrophobicContact CB-CD2 3.73Å; P14-Y16 HydrophobicContact CB-CE2 4.39Å; P14-Y16 PolarHBondContact O-N 3.39Å; Y16-L21 HydrophobicContact CD2-CD2 4.41Å; Y16-M24 HydrophobicContact CD1-CE 4.14Å; Y16-M24 HydrophobicContact CD2-CE 3.88Å; Y16-M24 HydrophobicContact CE1-CE 4.49Å; Y16-M24 HydrophobicContact CE2-CE 4.25Å; Y16-M24 HydrophobicContact CG-CE 3.83Å; Y16-F47 AromaticContact CD2-CE1 3.95Å; Y16-F47 HydrophobicContact CD2-CE1 3.95Å; Y16-F47 AromaticContact CD2-CZ 3.7Å; Y16-F47 HydrophobicContact CD2-CZ 3.7Å; Y16-F47 AromaticContact CE2-CE1 3.82Å; Y16-F47 HydrophobicContact CE2-CE1 3.82Å; Y16-F47 AromaticContact CE2-CZ 3.72Å; Y16-F47 HydrophobicContact CE2-CZ 3.72Å; Y16-F102 HydrophobicContact CD1-CB 3.9Å; Y16-F102 HydrophobicContact CE1-CB 3.81Å
17S94Very high85.2Confident40 Ų4053.6 Ų53.628%0.2827%0.274SS..  trans-79.8161171.176.20000110.5I19 S20 L21S17-I19 PolarHBondContact O-N 2.98Å; S17-I19 PolarHBondContact OG-N 3.45Å; S17-S20 PolarHBondContact N-OG 3.01Å; S17-S20 WeakPolarHBondContact O-CA 3.42Å; S17-S20 VanDerWaalsContact O-CB 3.3Å; S17-S20 WeakPolarHBondContact O-CB 3.4Å; S17-S20 PolarHBondContact O-N 3.28Å; S17-S20 PolarHBondContact OG-N 3.12Å; S17-S20 PolarHBondContact OG-OG 3.23Å; S17-L21 WeakPolarHBondContact O-CG 3.43Å; S17-L21 PolarHBondContact O-N 3.29Å
18Y95.7Very high87.2Confident48 Ų4850.2 Ų50.219%0.18826%0.262CS..Hα-helixtrans-58.1-32.1172.3-64.4-59.7000112.3L21 T22 Y50 W57 L61Y18-L21 HydrophobicContact CD1-CD1 4.08Å; Y18-L21 PolarHBondContact O-N 3.34Å; Y18-T22 WeakPolarHBondContact O-CB 3.47Å; Y18-T22 PolarHBondContact O-N 3.43Å; Y18-T22 PolarHBondContact O-OG1 2.93Å; Y18-T22 VanDerWaalsContact O-OG1 3.09Å; Y18-Y50 HydrophobicContact CE1-CE1 4.13Å; Y18-W57 HydrophobicContact CE1-CB 4.15Å; Y18-L61 HydrophobicContact CD1-CB 4.37Å; Y18-L61 HydrophobicContact CD1-CD1 4.42Å
19I94.5Very high89Confident33 Ų3347.3 Ų47.317%0.16924%0.244CC..Hα-helixtrans-62.1-47.2172.5-51.4174.9000110S17 L21 T22 A23 N68 C70 F71 F97S17-I19 PolarHBondContact O-N 2.98Å; S17-I19 PolarHBondContact OG-N 3.45Å; I19-L21 PolarHBondContact O-N 3.04Å; I19-T22 PolarHBondContact O-N 3.33Å; I19-A23 VanDerWaalsContact O-CB 3.31Å; I19-A23 WeakPolarHBondContact O-CB 3.37Å; I19-A23 PolarHBondContact O-N 3.25Å; I19-N68 HydrophobicContact CD1-CB 4.36Å; I19-N68 WeakPolarHBondContact CD1-OD1 3.5Å; I19-C70 HydrophobicContact CG2-CB 4.47Å; I19-F71 HydrophobicContact CB-CE2 4.26Å; I19-F71 HydrophobicContact CB-CZ 4.3Å; I19-F71 HydrophobicContact CG1-CE2 4.35Å; I19-F71 HydrophobicContact CG2-CE2 3.86Å; I19-F71 HydrophobicContact CG2-CZ 3.72Å; I19-F97 HydrophobicContact CG2-CE1 4.46Å; I19-F97 HydrophobicContact CG2-CZ 3.83Å
20S94.2Very high90.8Very high2 Ų247 Ų471%0.01426%0.257CS..Hα-helixtrans-61.7-42.7177.4-44.10000112.5S17 A23 M24 F102S17-S20 PolarHBondContact N-OG 3.01Å; S17-S20 WeakPolarHBondContact O-CA 3.42Å; S17-S20 VanDerWaalsContact O-CB 3.3Å; S17-S20 WeakPolarHBondContact O-CB 3.4Å; S17-S20 PolarHBondContact O-N 3.28Å; S17-S20 PolarHBondContact OG-N 3.12Å; S17-S20 PolarHBondContact OG-OG 3.23Å; S20-A23 PolarHBondContact O-N 3.29Å; S20-M24 WeakPolarHBondContact O-CE 3.34Å; S20-M24 WeakPolarHBondContact O-CG 3.47Å; S20-M24 PolarHBondContact O-N 3.26Å; S20-F102 WeakPolarHBondContact CB-O 3.45Å; S20-F102 PolarHBondContact OG-O 3.49Å
21L95.4Very high92.3Very high0 Ų050.7 Ų50.70%027%0.269CS..Hα-helixtrans-64.2-47.1179.4-69.5170.6000111.5Y16 S17 Y18 I19 M24 A25 I43 F47 Y50Y16-L21 HydrophobicContact CD2-CD2 4.41Å; S17-L21 WeakPolarHBondContact O-CG 3.43Å; S17-L21 PolarHBondContact O-N 3.29Å; Y18-L21 HydrophobicContact CD1-CD1 4.08Å; Y18-L21 PolarHBondContact O-N 3.34Å; I19-L21 PolarHBondContact O-N 3.04Å; L21-M24 HydrophobicContact CD2-CE 3.97Å; L21-M24 PolarHBondContact O-N 3.47Å; L21-A25 PolarHBondContact O-N 3.01Å; L21-A25 VanDerWaalsContact O-N 3.1Å; L21-I43 HydrophobicContact CB-CD1 3.81Å; L21-I43 HydrophobicContact CB-CG1 4.14Å; L21-F47 HydrophobicContact CD2-CD2 3.67Å; L21-F47 HydrophobicContact CD2-CE2 3.38Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; L21-Y50 HydrophobicContact CD1-CE2 3.79Å
22T96.3Very high93.2Very high0 Ų051.4 Ų51.40%027%0.267CS..Hα-helixtrans-64.6-40.9175.1-60.50000111.7Y18 I19 A25 I26 I39 L65 F71Y18-T22 WeakPolarHBondContact O-CB 3.47Å; Y18-T22 PolarHBondContact O-N 3.43Å; Y18-T22 PolarHBondContact O-OG1 2.93Å; Y18-T22 VanDerWaalsContact O-OG1 3.09Å; I19-T22 PolarHBondContact O-N 3.33Å; T22-A25 WeakPolarHBondContact O-CB 3.31Å; T22-A25 PolarHBondContact O-N 3.24Å; T22-I26 HydrophobicContact CG2-CD1 3.68Å; T22-I26 HydrophobicContact CG2-CG1 4.28Å; T22-I26 WeakPolarHBondContact O-CG1 3.23Å; T22-I26 PolarHBondContact O-N 3.49Å; T22-I39 HydrophobicContact CG2-CD1 4.25Å; T22-I39 HydrophobicContact CG2-CG2 4.31Å; T22-L65 HydrophobicContact CG2-CD2 3.7Å; T22-F71 HydrophobicContact CG2-CD1 3.79Å; T22-F71 HydrophobicContact CG2-CE1 3.31Å; T22-F71 HydrophobicContact CG2-CE2 4.36Å; T22-F71 HydrophobicContact CG2-CZ 3.64Å
23A94.8Very high93.6Very high0 Ų047.8 Ų47.80%025%0.251CS..Hα-helixtrans-60.6-47.317700000111.8I19 S20 A25 I26 Q27 L89 F97I19-A23 VanDerWaalsContact O-CB 3.31Å; I19-A23 WeakPolarHBondContact O-CB 3.37Å; I19-A23 PolarHBondContact O-N 3.25Å; S20-A23 PolarHBondContact O-N 3.29Å; A23-A25 VanDerWaalsContact C-N 3.32Å; A23-A25 PolarHBondContact O-N 3.36Å; A23-I26 PolarHBondContact O-N 3.11Å; A23-Q27 WeakPolarHBondContact O-CB 3.46Å; A23-Q27 WeakPolarHBondContact O-CG 3.07Å; A23-Q27 PolarHBondContact O-N 3.32Å; A23-L89 HydrophobicContact CB-CD1 4.34Å; A23-L89 HydrophobicContact CB-CD2 4.13Å; A23-F97 HydrophobicContact CB-CB 4.46Å; A23-F97 HydrophobicContact CB-CD1 3.9Å; A23-F97 HydrophobicContact CB-CD2 4.03Å; A23-F97 HydrophobicContact CB-CE1 4.1Å; A23-F97 HydrophobicContact CB-CE2 4.23Å; A23-F97 HydrophobicContact CB-CG 3.87Å; A23-F97 HydrophobicContact CB-CZ 4.26Å
24M95.1Very high93.9Very high22 Ų2243 Ų4311%0.10823%0.231CC..Hα-helixtrans-59-40.5174.6-75-174.6-74.300112.6Y16 S20 L21 S28 F42 F47 F102Y16-M24 HydrophobicContact CD1-CE 4.14Å; Y16-M24 HydrophobicContact CD2-CE 3.88Å; Y16-M24 HydrophobicContact CE1-CE 4.49Å; Y16-M24 HydrophobicContact CE2-CE 4.25Å; Y16-M24 HydrophobicContact CG-CE 3.83Å; S20-M24 WeakPolarHBondContact O-CE 3.34Å; S20-M24 WeakPolarHBondContact O-CG 3.47Å; S20-M24 PolarHBondContact O-N 3.26Å; L21-M24 HydrophobicContact CD2-CE 3.97Å; L21-M24 PolarHBondContact O-N 3.47Å; M24-S28 WeakPolarHBondContact O-CB 3.44Å; M24-S28 PolarHBondContact O-N 3.04Å; M24-S28 VanDerWaalsContact O-N 3.16Å; M24-F42 HydrophobicContact CB-CE1 3.92Å; M24-F42 HydrophobicContact CB-CZ 4.12Å; M24-F47 HydrophobicContact CE-CE2 4.16Å; M24-F47 HydrophobicContact CE-CZ 4.07Å; M24-F102 HydrophobicContact CB-CE1 4.47Å; M24-F102 HydrophobicContact CG-CD1 3.5Å; M24-F102 VanDerWaalsContact CG-CD1 3.5Å; M24-F102 HydrophobicContact CG-CD2 4.24Å; M24-F102 HydrophobicContact CG-CE1 3.39Å; M24-F102 HydrophobicContact CG-CE2 4.16Å; M24-F102 HydrophobicContact CG-CG 3.94Å; M24-F102 HydrophobicContact CG-CZ 3.75Å; M24-F102 HydrophobicContact SD-CD1 4.25Å; M24-F102 HydrophobicContact SD-CD2 4.28Å; M24-F102 HydrophobicContact SD-CG 4.11Å
25A96.1Very high94.2Very high0 Ų043 Ų430%023%0.231CC..Hα-helixtrans-61.9-54.2176.500000111L21 T22 A23 Q27 S28 L34 I39 F42L21-A25 PolarHBondContact O-N 3.01Å; L21-A25 VanDerWaalsContact O-N 3.1Å; T22-A25 WeakPolarHBondContact O-CB 3.31Å; T22-A25 PolarHBondContact O-N 3.24Å; A23-A25 VanDerWaalsContact C-N 3.32Å; A23-A25 PolarHBondContact O-N 3.36Å; A25-Q27 PolarHBondContact O-N 3.46Å; A25-S28 PolarHBondContact O-N 3.41Å; A25-S28 PolarHBondContact O-OG 2.96Å; A25-L34 HydrophobicContact CB-CD1 4.08Å; A25-L34 WeakPolarHBondContact O-CD1 3.5Å; A25-I39 HydrophobicContact CB-CG1 4.48Å; A25-I39 HydrophobicContact CB-CG2 4.45Å; A25-F42 HydrophobicContact CB-CB 4.04Å; A25-F42 HydrophobicContact CB-CD1 3.49Å; A25-F42 VanDerWaalsContact CB-CD1 3.49Å; A25-F42 HydrophobicContact CB-CD2 4.45Å; A25-F42 HydrophobicContact CB-CE1 3.98Å; A25-F42 HydrophobicContact CB-CG 3.75Å
26I95.1Very high94.6Very high1 Ų140.6 Ų40.61%0.00521%0.213CC..Hα-helixtrans-61.9-42-178.2-67.7174.4000111.6T22 A23 S28 C29 K32 F71 W87 L89T22-I26 HydrophobicContact CG2-CD1 3.68Å; T22-I26 HydrophobicContact CG2-CG1 4.28Å; T22-I26 WeakPolarHBondContact O-CG1 3.23Å; T22-I26 PolarHBondContact O-N 3.49Å; A23-I26 PolarHBondContact O-N 3.11Å; I26-S28 VanDerWaalsContact C-N 3.29Å; I26-S28 PolarHBondContact O-N 3.31Å; I26-C29 WeakPolarHBondContact O-CB 3.21Å; I26-C29 PolarHBondContact O-N 3.11Å; I26-K32 WeakPolarHBondContact CG2-O 2.96Å; I26-F71 HydrophobicContact CD1-CD1 4.06Å; I26-F71 HydrophobicContact CD1-CE1 4.22Å; I26-W87 HydrophobicContact CD1-CB 4.49Å; I26-L89 HydrophobicContact CB-CG 4.42Å; I26-L89 HydrophobicContact CD1-CG 4.45Å; I26-L89 HydrophobicContact CG2-CD1 4.26Å; I26-L89 HydrophobicContact CG2-CG 4.06Å
27Q92.8Very high94.8Very high44 Ų4440.1 Ų40.121%0.20622%0.22CC..Hα-helixtrans-66.1-29.3178.1-75.4176.4-47.300113.2A23 A25 C29 K32 L89 F102A23-Q27 WeakPolarHBondContact O-CB 3.46Å; A23-Q27 WeakPolarHBondContact O-CG 3.07Å; A23-Q27 PolarHBondContact O-N 3.32Å; A25-Q27 PolarHBondContact O-N 3.46Å; Q27-C29 VanDerWaalsContact C-N 3.27Å; Q27-C29 PolarHBondContact O-N 3.23Å; Q27-K32 PolarHBondContact O-NZ 3.41Å; Q27-L89 HydrophobicContact CG-CD1 3.86Å; Q27-F102 VanDerWaalsContact OE1-CZ 3.26Å
28S93Very high94.9Very high69 Ų6941.6 Ų41.648%0.48322%0.223SC..Hα-helixtrans-72.5-18.4177.976.30000113.9M24 A25 I26 F42M24-S28 WeakPolarHBondContact O-CB 3.44Å; M24-S28 PolarHBondContact O-N 3.04Å; M24-S28 VanDerWaalsContact O-N 3.16Å; A25-S28 PolarHBondContact O-N 3.41Å; A25-S28 PolarHBondContact O-OG 2.96Å; I26-S28 VanDerWaalsContact C-N 3.29Å; I26-S28 PolarHBondContact O-N 3.31Å; S28-F42 WeakPolarHBondContact OG-CE2 3.47Å
29C93.1Very high95Very high18 Ų1839.3 Ų39.312%0.12221%0.214CC..SBendtrans-80.6136.5172-1730000110.4I26 Q27 E31 K32 M33 L34I26-C29 WeakPolarHBondContact O-CB 3.21Å; I26-C29 PolarHBondContact O-N 3.11Å; Q27-C29 VanDerWaalsContact C-N 3.27Å; Q27-C29 PolarHBondContact O-N 3.23Å; C29-E31 VanDerWaalsContact C-N 3.28Å; C29-E31 PolarHBondContact O-N 3.4Å; C29-K32 WeakPolarHBondContact O-CD 3.37Å; C29-K32 PolarHBondContact O-N 2.91Å; C29-M33 PolarHBondContact SG-O 3.08Å; C29-M33 VanDerWaalsContact SG-O 3.35Å; C29-L34 HydrophobicContact CB-CD1 4.4Å; C29-L34 HydrophobicContact CB-CD2 3.79Å; C29-L34 HydrophobicContact CB-CG 3.91Å
30P93.1Very high95.1Very high118 Ų11839.1 Ų39.177%0.76621%0.211SC*.THydrogen-bonded Turntrans-62.4-35.2173.125-33.5000112.2K32P30-K32 PolarHBondContact O-N 3.2Å
31E92.6Very high95.3Very high128 Ų12844.1 Ų44.160%0.59823%0.232SC*.THydrogen-bonded Turntrans-73.8-5.8-179.2-55.3-177.2160.800114C29 M33C29-E31 VanDerWaalsContact C-N 3.28Å; C29-E31 PolarHBondContact O-N 3.4Å; E31-M33 HydrophobicContact CB-CG 4.23Å; E31-M33 PolarHBondContact O-N 3.17Å
32K93.9Very high95.4Very high117 Ų11745.6 Ų45.651%0.50924%0.239SC..SBendtrans51.424.8-176.3-52.2-61.1168.8-177.10114.6I26 Q27 C29 P30 A88I26-K32 WeakPolarHBondContact CG2-O 2.96Å; Q27-K32 PolarHBondContact O-NZ 3.41Å; C29-K32 WeakPolarHBondContact O-CD 3.37Å; C29-K32 PolarHBondContact O-N 2.91Å; P30-K32 PolarHBondContact O-N 3.2Å; K32-A88 WeakPolarHBondContact O-CB 3.39Å
33M94.6Very high95.4Very high53 Ų5345.6 Ų45.626%0.26124%0.239SC..EExtended strand (participates in β ladder)trans-142.4151.2169.370.6-17482.100110.2C29 E31 I74 F86 W87 A88C29-M33 PolarHBondContact SG-O 3.08Å; C29-M33 VanDerWaalsContact SG-O 3.35Å; E31-M33 HydrophobicContact CB-CG 4.23Å; E31-M33 PolarHBondContact O-N 3.17Å; M33-I74 HydrophobicContact CE-CD1 4.19Å; M33-I74 HydrophobicContact SD-CD1 4.15Å; M33-F86 HydrophobicContact CB-CB 4.44Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.09Å; M33-F86 HydrophobicContact CG-CG 4.4Å; M33-F86 HydrophobicContact SD-CB 4.15Å; M33-F86 HydrophobicContact SD-CD1 4.35Å; M33-F86 HydrophobicContact SD-CG 4.16Å; M33-W87 CarbonylContact C-O 3.56Å; M33-W87 VanDerWaalsContact CA-O 3.28Å; M33-W87 WeakPolarHBondContact CA-O 3.33Å; M33-A88 HydrophobicContact CB-CB 3.89Å
34L96.3Very high95.4Very high22 Ų2248 Ų4812%0.11525%0.251CS..EExtended strand (participates in β ladder)trans-143.4146.7175.1-75.8179.5000111.2A25 C29 E38 I39 W87A25-L34 HydrophobicContact CB-CD1 4.08Å; A25-L34 WeakPolarHBondContact O-CD1 3.5Å; C29-L34 HydrophobicContact CB-CD1 4.4Å; C29-L34 HydrophobicContact CB-CD2 3.79Å; C29-L34 HydrophobicContact CB-CG 3.91Å; L34-E38 HydrophobicContact CB-CB 4.49Å; L34-E38 HydrophobicContact CD1-CB 4.3Å; L34-E38 HydrophobicContact CD2-CB 3.98Å; L34-E38 HydrophobicContact CD2-CG 4.46Å; L34-I39 HydrophobicContact CB-CD1 4.36Å; L34-I39 HydrophobicContact CB-CG1 3.9Å; L34-I39 HydrophobicContact CD1-CG1 4.35Å; L34-W87 PolarHBondContact N-O 3.1Å; L34-W87 PolarHBondContact O-N 3.21Å
35P96.7Very high95.4Very high17 Ų1751.6 Ų51.611%0.1127%0.27CS..EExtended strand (participates in β ladder)trans-73.3160.8166.934.9-35.3000110.4S37 E38 I39 F86P35-S37 PolarHBondContact O-N 3Å; P35-S37 VanDerWaalsContact O-N 3.09Å; P35-E38 HydrophobicContact CG-CB 4.45Å; P35-E38 HydrophobicContact CG-CG 3.96Å; P35-E38 PolarHBondContact O-N 3.29Å; P35-E38 VanDerWaalsContact O-N 3.15Å; P35-I39 PolarHBondContact O-N 3.34Å; P35-F86 HydrophobicContact CB-CD1 4.4Å
36L96.8Very high95.3Very high48 Ų4858.7 Ų58.725%0.25130%0.297SS..Hα-helixtrans-57-27.7-176.9-177.859.2000114.3Y40 L61 R62 L65L36-Y40 HydrophobicContact CD1-CD1 4.29Å; L36-Y40 HydrophobicContact CD1-CE1 3.6Å; L36-Y40 HydrophobicContact CD1-CE2 4.37Å; L36-Y40 HydrophobicContact CD2-CE2 4.47Å; L36-Y40 HydrophobicContact CG-CE1 4.08Å; L36-Y40 HydrophobicContact CG-CE2 3.93Å; L36-Y40 WeakPolarHBondContact O-CD2 3.33Å; L36-Y40 PolarHBondContact O-N 2.83Å; L36-L61 HydrophobicContact CD1-CD2 4.01Å; L36-R62 HydrophobicContact CD1-CG 4.37Å; L36-R62 HydrophobicContact CD2-CG 4.02Å; L36-L65 HydrophobicContact CD1-CD1 3.57Å
37S96.8Very high95.2Very high63 Ų6360.1 Ų60.144%0.44130%0.303SS..Hα-helixtrans-64-48.5176.255.20000112.5P35 I39 Y40 K41P35-S37 PolarHBondContact O-N 3Å; P35-S37 VanDerWaalsContact O-N 3.09Å; S37-I39 VanDerWaalsContact C-N 3.32Å; S37-I39 PolarHBondContact O-N 2.95Å; S37-Y40 WeakPolarHBondContact O-CB 3.23Å; S37-Y40 PolarHBondContact O-N 2.93Å; S37-K41 PolarHBondContact O-N 3.27Å
38E96.9Very high95.2Very high70 Ų7060 Ų6033%0.32731%0.307SS..Hα-helixtrans-73.1-29.3-175.5-59.3-31.410000111.5L34 P35 Y40 K41 F42L34-E38 HydrophobicContact CB-CB 4.49Å; L34-E38 HydrophobicContact CD1-CB 4.3Å; L34-E38 HydrophobicContact CD2-CB 3.98Å; L34-E38 HydrophobicContact CD2-CG 4.46Å; P35-E38 HydrophobicContact CG-CB 4.45Å; P35-E38 HydrophobicContact CG-CG 3.96Å; P35-E38 PolarHBondContact O-N 3.29Å; P35-E38 VanDerWaalsContact O-N 3.15Å; E38-Y40 VanDerWaalsContact C-N 3.35Å; E38-K41 PolarHBondContact O-N 3.13Å; E38-K41 WeakPolarHBondContact OE2-CD 3.39Å; E38-K41 IonicContact OE2-NZ 3.94Å; E38-F42 VanDerWaalsContact O-CB 3.28Å; E38-F42 WeakPolarHBondContact O-CB 3.18Å; E38-F42 PolarHBondContact O-N 2.86Å
39I97.5Very high95.2Very high0 Ų061.1 Ų61.10%030%0.301CS..Hα-helixtrans-62.4-42.7171-61.1166.5000110.4T22 A25 L34 P35 S37 I43 L61 W87T22-I39 HydrophobicContact CG2-CD1 4.25Å; T22-I39 HydrophobicContact CG2-CG2 4.31Å; A25-I39 HydrophobicContact CB-CG1 4.48Å; A25-I39 HydrophobicContact CB-CG2 4.45Å; L34-I39 HydrophobicContact CB-CD1 4.36Å; L34-I39 HydrophobicContact CB-CG1 3.9Å; L34-I39 HydrophobicContact CD1-CG1 4.35Å; P35-I39 PolarHBondContact O-N 3.34Å; S37-I39 VanDerWaalsContact C-N 3.32Å; S37-I39 PolarHBondContact O-N 2.95Å; I39-I43 HydrophobicContact CG2-CD1 4.09Å; I39-I43 WeakPolarHBondContact O-CD1 3.44Å; I39-I43 VanDerWaalsContact O-CG1 3.24Å; I39-I43 WeakPolarHBondContact O-CG1 3.31Å; I39-I43 PolarHBondContact O-N 2.86Å; I39-L61 HydrophobicContact CG2-CD1 4.14Å; I39-L61 HydrophobicContact CG2-CD2 3.97Å; I39-W87 HydrophobicContact CD1-CB 4.14Å
40Y97.1Very high95.3Very high30 Ų3060.4 Ų60.412%0.11830%0.296CS..Hα-helixtrans-64.3-47.1174-59.8-31.9000111.8L36 S37 E38 I43 M44 W57 Q58 L61 R62L36-Y40 HydrophobicContact CD1-CD1 4.29Å; L36-Y40 HydrophobicContact CD1-CE1 3.6Å; L36-Y40 HydrophobicContact CD1-CE2 4.37Å; L36-Y40 HydrophobicContact CD2-CE2 4.47Å; L36-Y40 HydrophobicContact CG-CE1 4.08Å; L36-Y40 HydrophobicContact CG-CE2 3.93Å; L36-Y40 WeakPolarHBondContact O-CD2 3.33Å; L36-Y40 PolarHBondContact O-N 2.83Å; S37-Y40 WeakPolarHBondContact O-CB 3.23Å; S37-Y40 PolarHBondContact O-N 2.93Å; E38-Y40 VanDerWaalsContact C-N 3.35Å; Y40-I43 PolarHBondContact O-N 3.01Å; Y40-M44 WeakPolarHBondContact O-CG 3.49Å; Y40-M44 PolarHBondContact O-N 2.82Å; Y40-W57 HydrophobicContact CD1-CH2 4.04Å; Y40-W57 AromaticContact CD1-CZ3 3.91Å; Y40-W57 HydrophobicContact CD1-CZ3 3.91Å; Y40-W57 HydrophobicContact CG-CH2 4.38Å; Y40-Q58 HydrophobicContact CD1-CB 4.34Å; Y40-Q58 HydrophobicContact CD1-CG 3.7Å; Y40-Q58 HydrophobicContact CD2-CG 4.43Å; Y40-Q58 HydrophobicContact CE1-CB 3.7Å; Y40-Q58 HydrophobicContact CE1-CG 3.57Å; Y40-Q58 HydrophobicContact CE2-CG 4.33Å; Y40-Q58 HydrophobicContact CG-CG 4.13Å; Y40-L61 HydrophobicContact CD1-CD2 4.37Å; Y40-L61 HydrophobicContact CE1-CD2 4.08Å; Y40-R62 WeakPolarHBondContact OH-CD 3.5Å; Y40-R62 WeakPolarHBondContact OH-CG 3.34Å; Y40-R62 PolarHBondContact OH-NH1 3.28Å
41K97.2Very high95.4Very high106 Ų10661.4 Ų61.446%0.46128%0.284SS..Hα-helixtrans-59.2-53.5-178.2-178.7-177.3172-1700111.6S37 E38 I43 M44 D45S37-K41 PolarHBondContact O-N 3.27Å; E38-K41 PolarHBondContact O-N 3.13Å; E38-K41 WeakPolarHBondContact OE2-CD 3.39Å; E38-K41 IonicContact OE2-NZ 3.94Å; K41-I43 PolarHBondContact O-N 3.46Å; K41-I43 VanDerWaalsContact O-N 3.16Å; K41-M44 PolarHBondContact O-N 3.23Å; K41-D45 WeakPolarHBondContact CG-OD2 3.28Å; K41-D45 WeakPolarHBondContact O-CB 3.37Å; K41-D45 VanDerWaalsContact O-CG 3.23Å; K41-D45 PolarHBondContact O-N 2.85Å
42F97Very high95.3Very high32 Ų3262 Ų6214%0.1429%0.287CS..Hα-helixtrans-52-40.9177.3177.2-86.9000112.7M24 A25 S28 E38 R46M24-F42 HydrophobicContact CB-CE1 3.92Å; M24-F42 HydrophobicContact CB-CZ 4.12Å; A25-F42 HydrophobicContact CB-CB 4.04Å; A25-F42 HydrophobicContact CB-CD1 3.49Å; A25-F42 VanDerWaalsContact CB-CD1 3.49Å; A25-F42 HydrophobicContact CB-CD2 4.45Å; A25-F42 HydrophobicContact CB-CE1 3.98Å; A25-F42 HydrophobicContact CB-CG 3.75Å; S28-F42 WeakPolarHBondContact OG-CE2 3.47Å; E38-F42 VanDerWaalsContact O-CB 3.28Å; E38-F42 WeakPolarHBondContact O-CB 3.18Å; E38-F42 PolarHBondContact O-N 2.86Å; F42-R46 WeakPolarHBondContact O-CB 3.39Å; F42-R46 PolarHBondContact O-N 3.25Å
43I96.5Very high95.1Very high0 Ų062.1 Ų62.10%029%0.293CS..Hα-helixtrans-69.6-45179.4-67.7169.5000111L21 I39 Y40 K41 F47 Y50 W57 L61L21-I43 HydrophobicContact CB-CD1 3.81Å; L21-I43 HydrophobicContact CB-CG1 4.14Å; I39-I43 HydrophobicContact CG2-CD1 4.09Å; I39-I43 WeakPolarHBondContact O-CD1 3.44Å; I39-I43 VanDerWaalsContact O-CG1 3.24Å; I39-I43 WeakPolarHBondContact O-CG1 3.31Å; I39-I43 PolarHBondContact O-N 2.86Å; Y40-I43 PolarHBondContact O-N 3.01Å; K41-I43 PolarHBondContact O-N 3.46Å; K41-I43 VanDerWaalsContact O-N 3.16Å; I43-F47 WeakPolarHBondContact O-CA 3.44Å; I43-F47 WeakPolarHBondContact O-CB 3.35Å; I43-F47 PolarHBondContact O-N 2.92Å; I43-Y50 HydrophobicContact CG2-CD1 4.45Å; I43-Y50 HydrophobicContact CG2-CD2 3.5Å; I43-Y50 HydrophobicContact CG2-CE2 4.18Å; I43-Y50 HydrophobicContact CG2-CG 3.66Å; I43-W57 HydrophobicContact CB-CH2 4.39Å; I43-W57 HydrophobicContact CD1-CZ3 4.33Å; I43-W57 HydrophobicContact CG2-CH2 4.2Å; I43-W57 HydrophobicContact CG2-CZ3 4.25Å; I43-L61 HydrophobicContact CD1-CD1 3.36Å
44M95.4Very high95Very high49 Ų4961.8 Ų61.824%0.24129%0.294CS..Hα-helixtrans-68.3-35.7178.1-67-176.3-57.200112.7Y40 K41 R51 T54 W57Y40-M44 WeakPolarHBondContact O-CG 3.49Å; Y40-M44 PolarHBondContact O-N 2.82Å; K41-M44 PolarHBondContact O-N 3.23Å; M44-R51 HydrophobicContact CB-CG 4.13Å; M44-R51 PolarHBondContact O-NE 3.39Å; M44-R51 PolarHBondContact O-NH2 2.88Å; M44-T54 HydrophobicContact SD-CG2 4.16Å; M44-W57 HydrophobicContact CG-CH2 4.14Å; M44-W57 HydrophobicContact CG-CZ2 3.68Å; M44-W57 HydrophobicContact SD-CZ2 3.99Å
45D95.2Very high95Very high98 Ų9867 Ų6752%0.52432%0.318SS..Hα-helixtrans-67.8-50.5178-68.5-9.7000110.2K41 R51K41-D45 WeakPolarHBondContact CG-OD2 3.28Å; K41-D45 WeakPolarHBondContact O-CB 3.37Å; K41-D45 VanDerWaalsContact O-CG 3.23Å; K41-D45 PolarHBondContact O-N 2.85Å; D45-R51 PolarHBondContact O-NH2 3.09Å; D45-R51 VanDerWaalsContact O-NH2 3.1Å
46R93.9Very high94.9Very high150 Ų15075.7 Ų75.757%0.56635%0.348SS*.Hα-helixtrans-77.5-28.1-176.3-174.2173.7-71.3-106.1-2.6114.5F42F42-R46 WeakPolarHBondContact O-CB 3.39Å; F42-R46 PolarHBondContact O-N 3.25Å
47F93.6Very high94.8Very high30 Ų3074 Ų7413%0.13234%0.339CS..  trans-133.193.5-173.4-59.8-69.2000111.1P14 Y16 L21 M24 I43 Y49 Y50P14-F47 HydrophobicContact CB-CD1 3.97Å; P14-F47 HydrophobicContact CB-CE1 4.1Å; P14-F47 HydrophobicContact CG-CB 3.97Å; P14-F47 HydrophobicContact CG-CD1 3.48Å; P14-F47 VanDerWaalsContact CG-CD1 3.48Å; P14-F47 HydrophobicContact CG-CE1 4.13Å; P14-F47 HydrophobicContact CG-CG 3.83Å; Y16-F47 AromaticContact CD2-CE1 3.95Å; Y16-F47 HydrophobicContact CD2-CE1 3.95Å; Y16-F47 AromaticContact CD2-CZ 3.7Å; Y16-F47 HydrophobicContact CD2-CZ 3.7Å; Y16-F47 AromaticContact CE2-CE1 3.82Å; Y16-F47 HydrophobicContact CE2-CE1 3.82Å; Y16-F47 AromaticContact CE2-CZ 3.72Å; Y16-F47 HydrophobicContact CE2-CZ 3.72Å; L21-F47 HydrophobicContact CD2-CD2 3.67Å; L21-F47 HydrophobicContact CD2-CE2 3.38Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; M24-F47 HydrophobicContact CE-CE2 4.16Å; M24-F47 HydrophobicContact CE-CZ 4.07Å; I43-F47 WeakPolarHBondContact O-CA 3.44Å; I43-F47 WeakPolarHBondContact O-CB 3.35Å; I43-F47 PolarHBondContact O-N 2.92Å; F47-Y49 PolarHBondContact O-N 2.68Å; F47-Y49 VanDerWaalsContact O-N 3.1Å; F47-Y50 HydrophobicContact CB-CD2 3.8Å; F47-Y50 HydrophobicContact CB-CE2 4.37Å; F47-Y50 PolarHBondContact O-N 3Å
48P92.6Very high94.9Very high42 Ų4272.1 Ų72.127%0.27332%0.323SS..G310 helixtrans-52.4-36.1-174.1-30.136.9000115.2Y50 R51P48-Y50 PolarHBondContact O-N 3.4Å; P48-R51 WeakPolarHBondContact O-CB 3.38Å; P48-R51 WeakPolarHBondContact O-CG 3.02Å; P48-R51 PolarHBondContact O-N 2.86Å
49Y93.3Very high94.9Very high93 Ų9373.5 Ų73.537%0.36533%0.332SS..G310 helixtrans-42.2-32.7170.7176.5-103.5000115.5S10 D11 K13 F47S10-Y49 PolarHBondContact O-N 3.07Å; D11-Y49 VanDerWaalsContact O-CD2 3.27Å; D11-Y49 WeakPolarHBondContact O-CD2 3.16Å; K13-Y49 HydrophobicContact CB-CD1 4.22Å; K13-Y49 HydrophobicContact CB-CD2 4.48Å; K13-Y49 HydrophobicContact CB-CE1 3.75Å; K13-Y49 HydrophobicContact CB-CE2 4.04Å; K13-Y49 HydrophobicContact CD-CE1 4.14Å; K13-Y49 HydrophobicContact CG-CD1 4.21Å; K13-Y49 HydrophobicContact CG-CE1 3.58Å; F47-Y49 PolarHBondContact O-N 2.68Å; F47-Y49 VanDerWaalsContact O-N 3.1Å
50Y94.8Very high94.9Very high3 Ų375.4 Ų75.41%0.01235%0.346CS..G310 helixtrans-90.10.3-178.4-69.9-70.1000114.6P14 Y18 L21 I43 F47 P48 E52 W57P14-Y50 HydrophobicContact CG-CE2 4.04Å; Y18-Y50 HydrophobicContact CE1-CE1 4.13Å; L21-Y50 HydrophobicContact CD1-CE2 3.79Å; I43-Y50 HydrophobicContact CG2-CD1 4.45Å; I43-Y50 HydrophobicContact CG2-CD2 3.5Å; I43-Y50 HydrophobicContact CG2-CE2 4.18Å; I43-Y50 HydrophobicContact CG2-CG 3.66Å; F47-Y50 HydrophobicContact CB-CD2 3.8Å; F47-Y50 HydrophobicContact CB-CE2 4.37Å; F47-Y50 PolarHBondContact O-N 3Å; P48-Y50 PolarHBondContact O-N 3.4Å; Y50-E52 VanDerWaalsContact C-N 3.31Å; Y50-W57 HydrophobicContact CD1-CB 4.05Å; Y50-W57 AromaticContact CD1-CD1 3.72Å; Y50-W57 AromaticContact CD1-CD2 3.72Å; Y50-W57 HydrophobicContact CD1-CD2 3.72Å; Y50-W57 AromaticContact CD1-CE2 3.97Å; Y50-W57 HydrophobicContact CD1-CE3 4.31Å; Y50-W57 AromaticContact CD1-CG 3.59Å; Y50-W57 HydrophobicContact CD1-CG 3.59Å; Y50-W57 AromaticContact CD1-NE1 3.88Å; Y50-W57 HydrophobicContact CE1-CB 4.13Å; Y50-W57 HydrophobicContact CE1-CD2 4.46Å; Y50-W57 HydrophobicContact CE1-CG 4.16Å; Y50-W57 HydrophobicContact CG-CD2 4.44Å; Y50-W57 VanDerWaalsContact O-CE2 3.27Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.43Å; Y50-W57 PolarHBondContact O-NE1 3.21Å
51R94.2Very high94.9Very high139 Ų13974 Ų7453%0.52534%0.34SS..SBendtrans-70.6-31.3175-64.6172.5-172.9174.63.3111.8M44 D45 P48 T54M44-R51 HydrophobicContact CB-CG 4.13Å; M44-R51 PolarHBondContact O-NE 3.39Å; M44-R51 PolarHBondContact O-NH2 2.88Å; D45-R51 PolarHBondContact O-NH2 3.09Å; D45-R51 VanDerWaalsContact O-NH2 3.1Å; P48-R51 WeakPolarHBondContact O-CB 3.38Å; P48-R51 WeakPolarHBondContact O-CG 3.02Å; P48-R51 PolarHBondContact O-N 2.86Å; R51-T54 WeakPolarHBondContact O-CG2 3.49Å
52E90.9Very high94.9Very high139 Ų13972.8 Ų72.865%0.6533%0.333SS*.SBendtrans-85.3163.4174.9-63.7-174.1-172.300112.8Y50 T54Y50-E52 VanDerWaalsContact C-N 3.31Å; E52-T54 PolarHBondContact O-N 2.83Å
53N89.7Confident94.9Very high121 Ų12176.5 Ų76.565%0.64735%0.35SS*.SBendtrans51.832168.6-73.1-76.5000114.5Q55 R56N53-Q55 VanDerWaalsContact C-N 3.32Å; N53-Q55 PolarHBondContact O-N 3.23Å; N53-Q55 VanDerWaalsContact O-N 3.11Å; N53-R56 PolarHBondContact O-N 3.02Å
54T92.4Very high94.9Very high45 Ų4577.9 Ų77.928%0.27636%0.358SS..Hα-helixtrans-48.4-46.7-165.952.50000114.1M44 R51 E52 R56 W57 Q58M44-T54 HydrophobicContact SD-CG2 4.16Å; R51-T54 WeakPolarHBondContact O-CG2 3.49Å; E52-T54 PolarHBondContact O-N 2.83Å; T54-R56 VanDerWaalsContact C-N 3.28Å; T54-R56 PolarHBondContact O-N 2.97Å; T54-W57 PolarHBondContact O-N 2.85Å; T54-Q58 VanDerWaalsContact O-CB 3.24Å; T54-Q58 WeakPolarHBondContact O-CB 3.5Å; T54-Q58 WeakPolarHBondContact O-CG 3.3Å; T54-Q58 PolarHBondContact O-N 3.39Å
55Q95.6Very high94.9Very high132 Ų13275.7 Ų75.762%0.61735%0.347SS*.Hα-helixtrans-54.1-40.4-177.9-63.7-61.9-14.300113.5N53 N59N53-Q55 VanDerWaalsContact C-N 3.32Å; N53-Q55 PolarHBondContact O-N 3.23Å; N53-Q55 VanDerWaalsContact O-N 3.11Å; Q55-N59 VanDerWaalsContact O-CB 3.27Å; Q55-N59 WeakPolarHBondContact O-CB 3.41Å; Q55-N59 PolarHBondContact O-N 3.46Å
56R95.1Very high94.9Very high199 Ų19975.7 Ų75.775%0.75136%0.355SS*.Hα-helixtrans-68.7-48.8-174.9-175.8-176.5-70.7-91.24.8111.9N53 T54 S60N53-R56 PolarHBondContact O-N 3.02Å; T54-R56 VanDerWaalsContact C-N 3.28Å; T54-R56 PolarHBondContact O-N 2.97Å; R56-S60 PolarHBondContact O-N 3.3Å; R56-S60 PolarHBondContact O-OG 3.42Å
57W95.7Very high94.9Very high12 Ų1273.8 Ų73.85%0.04535%0.351CS..Hα-helixtrans-79-34.7-178.972.4-105.6000111.9Y18 Y40 I43 M44 Y50 T54 N59 S60 L61Y18-W57 HydrophobicContact CE1-CB 4.15Å; Y40-W57 HydrophobicContact CD1-CH2 4.04Å; Y40-W57 AromaticContact CD1-CZ3 3.91Å; Y40-W57 HydrophobicContact CD1-CZ3 3.91Å; Y40-W57 HydrophobicContact CG-CH2 4.38Å; I43-W57 HydrophobicContact CB-CH2 4.39Å; I43-W57 HydrophobicContact CD1-CZ3 4.33Å; I43-W57 HydrophobicContact CG2-CH2 4.2Å; I43-W57 HydrophobicContact CG2-CZ3 4.25Å; M44-W57 HydrophobicContact CG-CH2 4.14Å; M44-W57 HydrophobicContact CG-CZ2 3.68Å; M44-W57 HydrophobicContact SD-CZ2 3.99Å; Y50-W57 HydrophobicContact CD1-CB 4.05Å; Y50-W57 AromaticContact CD1-CD1 3.72Å; Y50-W57 AromaticContact CD1-CD2 3.72Å; Y50-W57 HydrophobicContact CD1-CD2 3.72Å; Y50-W57 AromaticContact CD1-CE2 3.97Å; Y50-W57 HydrophobicContact CD1-CE3 4.31Å; Y50-W57 AromaticContact CD1-CG 3.59Å; Y50-W57 HydrophobicContact CD1-CG 3.59Å; Y50-W57 AromaticContact CD1-NE1 3.88Å; Y50-W57 HydrophobicContact CE1-CB 4.13Å; Y50-W57 HydrophobicContact CE1-CD2 4.46Å; Y50-W57 HydrophobicContact CE1-CG 4.16Å; Y50-W57 HydrophobicContact CG-CD2 4.44Å; Y50-W57 VanDerWaalsContact O-CE2 3.27Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.43Å; Y50-W57 PolarHBondContact O-NE1 3.21Å; T54-W57 PolarHBondContact O-N 2.85Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 2.9Å; W57-S60 CarbonylContact O-C 3.56Å; W57-S60 WeakPolarHBondContact O-CA 3.44Å; W57-S60 WeakPolarHBondContact O-CB 3.33Å; W57-S60 PolarHBondContact O-N 3.18Å; W57-S60 VanDerWaalsContact O-N 3.14Å; W57-L61 HydrophobicContact CZ3-CD1 4.28Å; W57-L61 PolarHBondContact O-N 3.16Å
58Q97.4Very high94.9Very high25 Ų2573.1 Ų73.112%0.11735%0.349CS..Hα-helixtrans-63-38.3174.4-70.9-176.9600111.5Y40 T54 S60 L61 R62Y40-Q58 HydrophobicContact CD1-CB 4.34Å; Y40-Q58 HydrophobicContact CD1-CG 3.7Å; Y40-Q58 HydrophobicContact CD2-CG 4.43Å; Y40-Q58 HydrophobicContact CE1-CB 3.7Å; Y40-Q58 HydrophobicContact CE1-CG 3.57Å; Y40-Q58 HydrophobicContact CE2-CG 4.33Å; Y40-Q58 HydrophobicContact CG-CG 4.13Å; T54-Q58 VanDerWaalsContact O-CB 3.24Å; T54-Q58 WeakPolarHBondContact O-CB 3.5Å; T54-Q58 WeakPolarHBondContact O-CG 3.3Å; T54-Q58 PolarHBondContact O-N 3.39Å; Q58-S60 VanDerWaalsContact C-N 3.33Å; Q58-L61 PolarHBondContact O-N 3.28Å; Q58-R62 WeakPolarHBondContact O-CG 3.46Å; Q58-R62 PolarHBondContact O-N 3Å
59N97.5Very high94.8Very high98 Ų9874.5 Ų74.552%0.52435%0.354SS..Hα-helixtrans-63-42.2173.3-160.945.3000111.9Q55 W57 L61 R62 H63Q55-N59 VanDerWaalsContact O-CB 3.27Å; Q55-N59 WeakPolarHBondContact O-CB 3.41Å; Q55-N59 PolarHBondContact O-N 3.46Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 2.9Å; N59-L61 VanDerWaalsContact C-N 3.3Å; N59-L61 PolarHBondContact O-N 3.49Å; N59-R62 PolarHBondContact O-N 2.87Å; N59-R62 PolarHBondContact OD1-NH2 3.42Å; N59-R62 VanDerWaalsContact OD1-NH2 3.09Å; N59-H63 PolarHBondContact O-N 3.34Å
60S97.1Very high94.8Very high40 Ų4070.3 Ų70.328%0.2834%0.338SS..Hα-helixtrans-61.2-38.5174.8-53.70000112.1R56 W57 Q58 N64R56-S60 PolarHBondContact O-N 3.3Å; R56-S60 PolarHBondContact O-OG 3.42Å; W57-S60 CarbonylContact O-C 3.56Å; W57-S60 WeakPolarHBondContact O-CA 3.44Å; W57-S60 WeakPolarHBondContact O-CB 3.33Å; W57-S60 PolarHBondContact O-N 3.18Å; W57-S60 VanDerWaalsContact O-N 3.14Å; Q58-S60 VanDerWaalsContact C-N 3.33Å; S60-N64 PolarHBondContact O-N 3.39Å; S60-N64 PolarHBondContact O-ND2 3Å
61L97.4Very high94.8Very high0 Ų070.8 Ų70.80%034%0.34CS..Hα-helixtrans-72.6-42.1178.4-172.4142.8000112.1Y18 L36 I39 Y40 I43 W57 Q58 N59 H63 N64 L65Y18-L61 HydrophobicContact CD1-CB 4.37Å; Y18-L61 HydrophobicContact CD1-CD1 4.42Å; L36-L61 HydrophobicContact CD1-CD2 4.01Å; I39-L61 HydrophobicContact CG2-CD1 4.14Å; I39-L61 HydrophobicContact CG2-CD2 3.97Å; Y40-L61 HydrophobicContact CD1-CD2 4.37Å; Y40-L61 HydrophobicContact CE1-CD2 4.08Å; I43-L61 HydrophobicContact CD1-CD1 3.36Å; W57-L61 HydrophobicContact CZ3-CD1 4.28Å; W57-L61 PolarHBondContact O-N 3.16Å; Q58-L61 PolarHBondContact O-N 3.28Å; N59-L61 VanDerWaalsContact C-N 3.3Å; N59-L61 PolarHBondContact O-N 3.49Å; L61-H63 VanDerWaalsContact C-N 3.31Å; L61-H63 PolarHBondContact O-N 2.94Å; L61-N64 PolarHBondContact O-N 3.35Å; L61-L65 HydrophobicContact CD2-CD1 3.74Å; L61-L65 HydrophobicContact CD2-CG 4.21Å; L61-L65 PolarHBondContact O-N 2.66Å
62R97.6Very high94.9Very high81 Ų8167.1 Ų67.131%0.30633%0.331SS..Hα-helixtrans-56.7-44.4172.3-73.3-174.1-61-98.712.5111.9L36 Y40 Q58 N59 L65 S66L36-R62 HydrophobicContact CD1-CG 4.37Å; L36-R62 HydrophobicContact CD2-CG 4.02Å; Y40-R62 WeakPolarHBondContact OH-CD 3.5Å; Y40-R62 WeakPolarHBondContact OH-CG 3.34Å; Y40-R62 PolarHBondContact OH-NH1 3.28Å; Q58-R62 WeakPolarHBondContact O-CG 3.46Å; Q58-R62 PolarHBondContact O-N 3Å; N59-R62 PolarHBondContact O-N 2.87Å; N59-R62 PolarHBondContact OD1-NH2 3.42Å; N59-R62 VanDerWaalsContact OD1-NH2 3.09Å; R62-L65 PolarHBondContact O-N 2.76Å; R62-S66 PolarHBondContact O-N 3.4Å
63H97.5Very high95.2Very high110 Ų11067.2 Ų67.251%0.50933%0.329SS..Hα-helixtrans-60.5-44.2172.8168.467.3000111.7N59 L61 L65 S66 F67N59-H63 PolarHBondContact O-N 3.34Å; L61-H63 VanDerWaalsContact C-N 3.31Å; L61-H63 PolarHBondContact O-N 2.94Å; H63-L65 VanDerWaalsContact C-N 3.33Å; H63-L65 PolarHBondContact O-N 3.26Å; H63-S66 PolarHBondContact O-N 3.06Å; H63-F67 AromaticContact CE1-CD2 3.64Å; H63-F67 AromaticContact CE1-CG 3.74Å; H63-F67 AromaticContact NE2-CG 3.93Å; H63-F67 WeakPolarHBondContact O-CB 3.44Å; H63-F67 PolarHBondContact O-N 2.9Å
64N95.8Very high95.4Very high29 Ų2963.8 Ų63.816%0.15531%0.31CS..Hα-helixtrans-65.2-31.9179.7-87.3-95.6000113.9S60 L61 N68S60-N64 PolarHBondContact O-N 3.39Å; S60-N64 PolarHBondContact O-ND2 3Å; L61-N64 PolarHBondContact O-N 3.35Å; N64-N68 PolarHBondContact O-N 3.43Å; N64-N68 PolarHBondContact O-ND2 2.98Å; N64-N68 PolarHBondContact OD1-ND2 3.49Å
65L96.1Very high95.5Very high3 Ų366.5 Ų66.52%0.01633%0.329CS..Hα-helixtrans-64.3-46.3173.7-74.2169.2000111.8T22 L36 L61 R62 H63 F71 W87T22-L65 HydrophobicContact CG2-CD2 3.7Å; L36-L65 HydrophobicContact CD1-CD1 3.57Å; L61-L65 HydrophobicContact CD2-CD1 3.74Å; L61-L65 HydrophobicContact CD2-CG 4.21Å; L61-L65 PolarHBondContact O-N 2.66Å; R62-L65 PolarHBondContact O-N 2.76Å; H63-L65 VanDerWaalsContact C-N 3.33Å; H63-L65 PolarHBondContact O-N 3.26Å; L65-F71 HydrophobicContact CD2-CB 4.09Å; L65-F71 HydrophobicContact CD2-CD1 4.28Å; L65-F71 HydrophobicContact CD2-CD2 4.11Å; L65-F71 HydrophobicContact CD2-CG 3.88Å; L65-W87 HydrophobicContact CB-CD2 4.2Å; L65-W87 HydrophobicContact CB-CE3 4.12Å; L65-W87 HydrophobicContact CB-CH2 3.8Å; L65-W87 HydrophobicContact CB-CZ2 3.92Å; L65-W87 HydrophobicContact CB-CZ3 3.91Å; L65-W87 HydrophobicContact CD1-CD2 4.24Å; L65-W87 HydrophobicContact CD1-CG 4.34Å; L65-W87 HydrophobicContact CD1-CZ2 4.46Å; L65-W87 HydrophobicContact CD2-CB 4.26Å; L65-W87 HydrophobicContact CD2-CD2 3.89Å; L65-W87 HydrophobicContact CD2-CE3 4.01Å; L65-W87 HydrophobicContact CD2-CG 4.02Å; L65-W87 HydrophobicContact CG-CD2 4.35Å; L65-W87 WeakPolarHBondContact O-CZ3 3.37Å
66S95.5Very high95.3Very high99 Ų9963.5 Ų63.569%0.69231%0.312SS*.Hα-helixtrans-80.8-16179.7-560000114.7R62 H63R62-S66 PolarHBondContact O-N 3.4Å; H63-S66 PolarHBondContact O-N 3.06Å
67F93Very high95.1Very high109 Ų10962.1 Ų62.148%0.47831%0.306SS..Hα-helixtrans-98.9-22.2-173.6-176.9-90.3000114.6H63H63-F67 AromaticContact CE1-CD2 3.64Å; H63-F67 AromaticContact CE1-CG 3.74Å; H63-F67 AromaticContact NE2-CG 3.93Å; H63-F67 WeakPolarHBondContact O-CB 3.44Å; H63-F67 PolarHBondContact O-N 2.9Å
68N92.7Very high94.7Very high16 Ų1667.9 Ų67.99%0.08635%0.345CS..  trans-115.1120.2-176.5-55.2-89.6000110.6I19 N64 C70 F71 R108I19-N68 HydrophobicContact CD1-CB 4.36Å; I19-N68 WeakPolarHBondContact CD1-OD1 3.5Å; N64-N68 PolarHBondContact O-N 3.43Å; N64-N68 PolarHBondContact O-ND2 2.98Å; N64-N68 PolarHBondContact OD1-ND2 3.49Å; N68-C70 PolarHBondContact O-N 3.49Å; N68-F71 HydrophobicContact CB-CD2 4.48Å; N68-F71 PolarHBondContact O-N 3.07Å; N68-R108 PolarHBondContact OD1-NH1 3.16Å
69D92.3Very high94.3Very high71 Ų7171 Ų7138%0.3836%0.363SS..THydrogen-bonded Turntrans-55.8-10.9179.9-33.3-10.4000114.3F71 H90 F109 K110 V111D69-F71 PolarHBondContact O-N 2.92Å; D69-H90 WeakPolarHBondContact O-CB 3.39Å; D69-F109 HydrophobicContact CB-CD1 4.12Å; D69-F109 HydrophobicContact CB-CE1 3.99Å; D69-K110 VanDerWaalsContact OD2-CA 3.23Å; D69-K110 WeakPolarHBondContact OD2-CA 3.44Å; D69-V111 HydrophobicContact CB-CB 4.32Å; D69-V111 HydrophobicContact CB-CG2 3.73Å; D69-V111 PolarHBondContact OD2-N 3.3Å
70C92.3Very high93.7Very high6 Ų671.6 Ų71.64%0.04136%0.362CS..THydrogen-bonded Turntrans-56.6-25.5169.1-58.50000112.9I19 N68 L89 H90 C93 F109I19-C70 HydrophobicContact CG2-CB 4.47Å; N68-C70 PolarHBondContact O-N 3.49Å; C70-L89 CarbonylContact O-C 3.58Å; C70-L89 WeakPolarHBondContact O-CA 3.5Å; C70-H90 PolarHBondContact O-N 2.83Å; C70-C93 PolarHBondContact O-SG 2.83Å; C70-C93 VanDerWaalsContact O-SG 3.4Å; C70-F109 HydrophobicContact CB-CD1 4.37Å; C70-F109 VanDerWaalsContact SG-CD1 3.6Å
71F95.2Very high93Very high12 Ų1275.7 Ų75.75%0.05339%0.388CS..EExtended strand (participates in β ladder)trans-115.2121.5-173.6-56.4-61.5000111.4I19 T22 I26 L65 N68 D69 W87 A88 L89I19-F71 HydrophobicContact CB-CE2 4.26Å; I19-F71 HydrophobicContact CB-CZ 4.3Å; I19-F71 HydrophobicContact CG1-CE2 4.35Å; I19-F71 HydrophobicContact CG2-CE2 3.86Å; I19-F71 HydrophobicContact CG2-CZ 3.72Å; T22-F71 HydrophobicContact CG2-CD1 3.79Å; T22-F71 HydrophobicContact CG2-CE1 3.31Å; T22-F71 HydrophobicContact CG2-CE2 4.36Å; T22-F71 HydrophobicContact CG2-CZ 3.64Å; I26-F71 HydrophobicContact CD1-CD1 4.06Å; I26-F71 HydrophobicContact CD1-CE1 4.22Å; L65-F71 HydrophobicContact CD2-CB 4.09Å; L65-F71 HydrophobicContact CD2-CD1 4.28Å; L65-F71 HydrophobicContact CD2-CD2 4.11Å; L65-F71 HydrophobicContact CD2-CG 3.88Å; N68-F71 HydrophobicContact CB-CD2 4.48Å; N68-F71 PolarHBondContact O-N 3.07Å; D69-F71 PolarHBondContact O-N 2.92Å; F71-W87 HydrophobicContact CB-CE3 3.99Å; F71-W87 HydrophobicContact CB-CZ3 4.31Å; F71-A88 WeakPolarHBondContact CA-O 3.09Å; F71-L89 HydrophobicContact CD1-CD2 4.02Å; F71-L89 HydrophobicContact CE1-CD2 3.59Å
72I95.9Very high92.5Very high63 Ų6377.8 Ų77.832%0.32341%0.41SS..EExtended strand (participates in β ladder)trans-102.5135.2176.260.4175.4000110.2I74 W87 A88 H90I72-I74 HydrophobicContact CD1-CD1 4.46Å; I72-I74 HydrophobicContact CG1-CG1 4.39Å; I72-W87 WeakPolarHBondContact O-CA 3.21Å; I72-A88 HydrophobicContact CD1-CB 4.25Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 2.89Å; I72-A88 PolarHBondContact O-N 3.22Å; I72-H90 HydrophobicContact CG2-CB 4.21Å
73K96.7Very high92.1Very high140 Ų14083.6 Ų83.661%0.60944%0.437SS*.EExtended strand (participates in β ladder)trans-89.8107.9178.7-179.1-170.4171.1-168.80109.4S85 W87K73-S85 WeakPolarHBondContact CE-OG 3.46Å; K73-W87 HydrophobicContact CB-CE3 4.11Å; K73-W87 HydrophobicContact CB-CH2 3.99Å; K73-W87 HydrophobicContact CB-CZ2 4.4Å; K73-W87 HydrophobicContact CB-CZ3 3.83Å; K73-W87 HydrophobicContact CG-CH2 4.38Å; K73-W87 HydrophobicContact CG-CZ2 4.35Å
74I95.2Very high91.9Very high50 Ų5080.8 Ų80.826%0.25644%0.438SS..EExtended strand (participates in β ladder)trans-93.6123.8-179.2-62.1177.2000109.3M33 I72 S85 F86 A88M33-I74 HydrophobicContact CE-CD1 4.19Å; M33-I74 HydrophobicContact SD-CD1 4.15Å; I72-I74 HydrophobicContact CD1-CD1 4.46Å; I72-I74 HydrophobicContact CG1-CG1 4.39Å; I74-S85 WeakPolarHBondContact O-CB 3.4Å; I74-F86 HydrophobicContact CB-CB 4.11Å; I74-F86 PolarHBondContact N-O 3.22Å; I74-F86 PolarHBondContact O-N 3.25Å; I74-A88 HydrophobicContact CD1-CB 3.6Å; I74-A88 HydrophobicContact CG1-CB 4.49Å
75P93.8Very high91.8Very high102 Ų10280.8 Ų80.866%0.66244%0.44SS*.PPolyproline II helixtrans-65.5149.8174.729.3-34.5000110.7
76R91.7Very high91.9Very high69 Ų6982 Ų8226%0.2645%0.446SS..PPolyproline II helixtrans-71.5147.7170.1-68.3-171.1-178.2-93-0109.9G82 K83 G84 F86R76-G82 WeakPolarHBondContact CD-O 3.33Å; R76-G82 PolarHBondContact NE-O 2.93Å; R76-K83 PolarHBondContact NH2-O 3.3Å; R76-G84 WeakPolarHBondContact CD-O 3.24Å; R76-G84 PolarHBondContact NE-O 2.69Å; R76-F86 HydrophobicContact CG-CD2 4.03Å; R76-F86 HydrophobicContact CG-CE2 3.92Å
77R90.3Very high91.9Very high169 Ų16978.7 Ų78.764%0.63842%0.418SS*.PPolyproline II helixtrans-63.4147.9165.4-66169.959.4124.71.4109.7D79 Q80R77-D79 WeakPolarHBondContact CB-OD1 3.28Å; R77-D79 IonicContact CZ-OD2 3.2Å; R77-D79 IonicContact NE-OD1 3.21Å; R77-D79 PolarHBondContact NE-OD1 3.3Å; R77-D79 IonicContact NE-OD2 2.88Å; R77-D79 PolarHBondContact NE-OD2 3.35Å; R77-D79 IonicContact NH2-OD2 2.68Å; R77-D79 PolarHBondContact NH2-OD2 2.83Å; R77-D79 PolarHBondContact O-N 3.05Å; R77-Q80 PolarHBondContact O-N 3.21Å
78P87.4Confident92.1Very high134 Ų13473.9 Ų73.987%0.8740%0.398SS*.THydrogen-bonded Turntrans-69-19.4-178.828.8-35.7000113.5Q80P78-Q80 VanDerWaalsContact C-N 3.29Å
79D89.4Confident92.2Very high90 Ų9074.3 Ų74.348%0.48140%0.4SS..THydrogen-bonded Turntrans-74.7-13.717551.927.6000114R77 P81R77-D79 WeakPolarHBondContact CB-OD1 3.28Å; R77-D79 IonicContact CZ-OD2 3.2Å; R77-D79 IonicContact NE-OD1 3.21Å; R77-D79 PolarHBondContact NE-OD1 3.3Å; R77-D79 IonicContact NE-OD2 2.88Å; R77-D79 PolarHBondContact NE-OD2 3.35Å; R77-D79 IonicContact NH2-OD2 2.68Å; R77-D79 PolarHBondContact NH2-OD2 2.83Å; R77-D79 PolarHBondContact O-N 3.05Å; D79-P81 WeakPolarHBondContact O-CD 3.39Å
80Q84.4Confident92.2Very high110 Ų11072.6 Ų72.651%0.51439%0.39SS..SBendtrans-122.275.5178.6-68.6-172.410.200111.5R77 P78 G82R77-Q80 PolarHBondContact O-N 3.21Å; P78-Q80 VanDerWaalsContact C-N 3.29Å; Q80-G82 PolarHBondContact O-N 3.31Å; Q80-G82 VanDerWaalsContact O-N 3.13Å
81P81.8Confident92.1Very high127 Ų12776.8 Ų76.883%0.82542%0.417SS*.  trans-60.2116.7174.625.6-34000110.3D79D79-P81 WeakPolarHBondContact O-CD 3.39Å
82G88.2Confident91.7Very high44 Ų4481.3 Ų81.345%0.45444%0.442SS..  trans-159.1157.7-173.500000113.2R76 Q80 G84R76-G82 WeakPolarHBondContact CD-O 3.33Å; R76-G82 PolarHBondContact NE-O 2.93Å; Q80-G82 PolarHBondContact O-N 3.31Å; Q80-G82 VanDerWaalsContact O-N 3.13Å; G82-G84 PolarHBondContact O-N 3.33Å
83K89.4Confident91.1Very high203 Ų20378.3 Ų78.388%0.88343%0.426SS*.SBendtrans-70.5128.6-174.4-167.6170.1-175.3171.30111.6R76R76-K83 PolarHBondContact NH2-O 3.3Å
84G92.2Very high90.1Very high51 Ų5172.5 Ų72.553%0.52641%0.406SS..SBendtrans66.8-177.4174.600000114.8R76 G82R76-G84 WeakPolarHBondContact CD-O 3.24Å; R76-G84 PolarHBondContact NE-O 2.69Å; G82-G84 PolarHBondContact O-N 3.33Å
85S95.3Very high89.4Confident28 Ų2875.4 Ų75.420%0.19642%0.422CS..  trans-94.4160.5176.5-59.70000111.8K73 I74K73-S85 WeakPolarHBondContact CE-OG 3.46Å; I74-S85 WeakPolarHBondContact O-CB 3.4Å
86F96.2Very high88.6Confident30 Ų3073.8 Ų73.813%0.13241%0.407CS..EExtended strand (participates in β ladder)trans-77.2154.1163.8-69.1-83.2000110.1M33 P35 I74 R76M33-F86 HydrophobicContact CB-CB 4.44Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.09Å; M33-F86 HydrophobicContact CG-CG 4.4Å; M33-F86 HydrophobicContact SD-CB 4.15Å; M33-F86 HydrophobicContact SD-CD1 4.35Å; M33-F86 HydrophobicContact SD-CG 4.16Å; P35-F86 HydrophobicContact CB-CD1 4.4Å; I74-F86 HydrophobicContact CB-CB 4.11Å; I74-F86 PolarHBondContact N-O 3.22Å; I74-F86 PolarHBondContact O-N 3.25Å; R76-F86 HydrophobicContact CG-CD2 4.03Å; R76-F86 HydrophobicContact CG-CE2 3.92Å
87W97.3Very high87.9Confident28 Ų2870.7 Ų70.711%0.10640%0.395CS..EExtended strand (participates in β ladder)trans-124.9129.4172.3-67.292.4000109.2I26 M33 L34 I39 L65 F71 I72 K73I26-W87 HydrophobicContact CD1-CB 4.49Å; M33-W87 CarbonylContact C-O 3.56Å; M33-W87 VanDerWaalsContact CA-O 3.28Å; M33-W87 WeakPolarHBondContact CA-O 3.33Å; L34-W87 PolarHBondContact N-O 3.1Å; L34-W87 PolarHBondContact O-N 3.21Å; I39-W87 HydrophobicContact CD1-CB 4.14Å; L65-W87 HydrophobicContact CB-CD2 4.2Å; L65-W87 HydrophobicContact CB-CE3 4.12Å; L65-W87 HydrophobicContact CB-CH2 3.8Å; L65-W87 HydrophobicContact CB-CZ2 3.92Å; L65-W87 HydrophobicContact CB-CZ3 3.91Å; L65-W87 HydrophobicContact CD1-CD2 4.24Å; L65-W87 HydrophobicContact CD1-CG 4.34Å; L65-W87 HydrophobicContact CD1-CZ2 4.46Å; L65-W87 HydrophobicContact CD2-CB 4.26Å; L65-W87 HydrophobicContact CD2-CD2 3.89Å; L65-W87 HydrophobicContact CD2-CE3 4.01Å; L65-W87 HydrophobicContact CD2-CG 4.02Å; L65-W87 HydrophobicContact CG-CD2 4.35Å; L65-W87 WeakPolarHBondContact O-CZ3 3.37Å; F71-W87 HydrophobicContact CB-CE3 3.99Å; F71-W87 HydrophobicContact CB-CZ3 4.31Å; I72-W87 WeakPolarHBondContact O-CA 3.21Å; K73-W87 HydrophobicContact CB-CE3 4.11Å; K73-W87 HydrophobicContact CB-CH2 3.99Å; K73-W87 HydrophobicContact CB-CZ2 4.4Å; K73-W87 HydrophobicContact CB-CZ3 3.83Å; K73-W87 HydrophobicContact CG-CH2 4.38Å; K73-W87 HydrophobicContact CG-CZ2 4.35Å
88A96Very high87.1Confident8 Ų869.7 Ų69.77%0.06640%0.398CS..EExtended strand (participates in β ladder)trans-121.4165.8174.900000110.6K32 M33 F71 I72 I74K32-A88 WeakPolarHBondContact O-CB 3.39Å; M33-A88 HydrophobicContact CB-CB 3.89Å; F71-A88 WeakPolarHBondContact CA-O 3.09Å; I72-A88 HydrophobicContact CD1-CB 4.25Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 2.89Å; I72-A88 PolarHBondContact O-N 3.22Å; I74-A88 HydrophobicContact CD1-CB 3.6Å; I74-A88 HydrophobicContact CG1-CB 4.49Å
89L94.5Very high86.3Confident26 Ų2670.2 Ų70.214%0.13639%0.393CS..EExtended strand (participates in β ladder)trans-77139.4167.2-73.6166.7000109.6A23 I26 Q27 C70 F71 F97A23-L89 HydrophobicContact CB-CD1 4.34Å; A23-L89 HydrophobicContact CB-CD2 4.13Å; I26-L89 HydrophobicContact CB-CG 4.42Å; I26-L89 HydrophobicContact CD1-CG 4.45Å; I26-L89 HydrophobicContact CG2-CD1 4.26Å; I26-L89 HydrophobicContact CG2-CG 4.06Å; Q27-L89 HydrophobicContact CG-CD1 3.86Å; C70-L89 CarbonylContact O-C 3.58Å; C70-L89 WeakPolarHBondContact O-CA 3.5Å; F71-L89 HydrophobicContact CD1-CD2 4.02Å; F71-L89 HydrophobicContact CE1-CD2 3.59Å; L89-F97 HydrophobicContact CD2-CD2 4.38Å; L89-F97 HydrophobicContact CD2-CE2 4.25Å
90H93.2Very high85.4Confident35 Ų3568.2 Ų68.216%0.16239%0.394CS..  trans-63135.3168.5-170-71.3000109.4D69 C70 I72 N92 C93 F109D69-H90 WeakPolarHBondContact O-CB 3.39Å; C70-H90 PolarHBondContact O-N 2.83Å; I72-H90 HydrophobicContact CG2-CB 4.21Å; H90-N92 PolarHBondContact CE1-OD1 3.15Å; H90-N92 VanDerWaalsContact CE1-OD1 3.24Å; H90-N92 PolarHBondContact ND1-N 3.09Å; H90-N92 PolarHBondContact ND1-OD1 3.37Å; H90-N92 PolarHBondContact O-N 3.44Å; H90-C93 PolarHBondContact O-N 3.09Å; H90-C93 PolarHBondContact O-SG 3Å; H90-F109 HydrophobicContact CB-CE1 4.39Å
91P89.8Confident85.1Confident93 Ų9366.1 Ų66.160%0.60439%0.391SS*.Hα-helixtrans-51.8-52-176.415.9-29.8000112.4C93 G94P91-C93 PolarHBondContact O-N 2.82Å; P91-G94 PolarHBondContact O-N 3.44Å
92N86.1Confident85.1Confident107 Ų10761.8 Ų61.857%0.57236%0.36SS*.Hα-helixtrans-61.71.6178-4531.3000115.6H90 F109H90-N92 PolarHBondContact CE1-OD1 3.15Å; H90-N92 VanDerWaalsContact CE1-OD1 3.24Å; H90-N92 PolarHBondContact ND1-N 3.09Å; H90-N92 PolarHBondContact ND1-OD1 3.37Å; H90-N92 PolarHBondContact O-N 3.44Å; N92-F109 HydrophobicContact CB-CE2 4.19Å; N92-F109 HydrophobicContact CB-CZ 4.18Å; N92-F109 VanDerWaalsContact O-CE2 3.31Å; N92-F109 WeakPolarHBondContact O-CE2 3.37Å
93C84.1Confident84.6Confident0 Ų065.2 Ų65.20%037%0.367CS..Hα-helixtrans-116.7-4.9172870000114.2C70 H90 P91 M96 F97 F109C70-C93 PolarHBondContact O-SG 2.83Å; C70-C93 VanDerWaalsContact O-SG 3.4Å; H90-C93 PolarHBondContact O-N 3.09Å; H90-C93 PolarHBondContact O-SG 3Å; P91-C93 PolarHBondContact O-N 2.82Å; C93-M96 WeakPolarHBondContact O-CB 3.43Å; C93-M96 PolarHBondContact O-N 3.28Å; C93-F97 WeakPolarHBondContact O-CD2 3.27Å; C93-F109 HydrophobicContact CB-CD1 4.17Å; C93-F109 HydrophobicContact CB-CD2 4.06Å; C93-F109 HydrophobicContact CB-CE1 4.02Å; C93-F109 HydrophobicContact CB-CE2 3.91Å; C93-F109 HydrophobicContact CB-CG 4.18Å; C93-F109 HydrophobicContact CB-CZ 3.89Å
94G76.8Confident83.7Confident18 Ų1866.3 Ų66.319%0.18637%0.365CS..Hα-helixtrans-60-51.9-178.700000113P91 M96 F97 E98P91-G94 PolarHBondContact O-N 3.44Å; G94-M96 PolarHBondContact O-N 3.13Å; G94-F97 PolarHBondContact O-N 3.06Å; G94-E98 PolarHBondContact O-N 3.39Å; G94-E98 VanDerWaalsContact O-N 3.09Å
95D79.4Confident82.7Confident111 Ų11168.3 Ų68.359%0.59436%0.357SS*.Hα-helixtrans-50.7-32.1178.2-39.38.8000112.1F97D95-F97 PolarHBondContact O-N 2.92Å
96M77.3Confident81.5Confident68 Ų6879.3 Ų79.334%0.33539%0.394SS..Hα-helixtrans-71.6-9.8-177.2-49.4-165.3174.800113.7C93 G94 R105 F109C93-M96 WeakPolarHBondContact O-CB 3.43Å; C93-M96 PolarHBondContact O-N 3.28Å; G94-M96 PolarHBondContact O-N 3.13Å; M96-R105 PolarHBondContact O-NH2 2.81Å; M96-R105 PolarHBondContact SD-NH1 3.06Å; M96-F109 HydrophobicContact CE-CD2 3.64Å; M96-F109 HydrophobicContact CE-CE2 4.15Å; M96-F109 HydrophobicContact SD-CB 4.47Å; M96-F109 HydrophobicContact SD-CD2 4.02Å
97F76.9Confident80.6Confident4 Ų486.1 Ų86.12%0.01842%0.424CS..Hα-helixtrans-124.7-23.1179.2-58.8-71000112.8I19 A23 L89 C93 G94 D95 N99 G100 F102I19-F97 HydrophobicContact CG2-CE1 4.46Å; I19-F97 HydrophobicContact CG2-CZ 3.83Å; A23-F97 HydrophobicContact CB-CB 4.46Å; A23-F97 HydrophobicContact CB-CD1 3.9Å; A23-F97 HydrophobicContact CB-CD2 4.03Å; A23-F97 HydrophobicContact CB-CE1 4.1Å; A23-F97 HydrophobicContact CB-CE2 4.23Å; A23-F97 HydrophobicContact CB-CG 3.87Å; A23-F97 HydrophobicContact CB-CZ 4.26Å; L89-F97 HydrophobicContact CD2-CD2 4.38Å; L89-F97 HydrophobicContact CD2-CE2 4.25Å; C93-F97 WeakPolarHBondContact O-CD2 3.27Å; G94-F97 PolarHBondContact O-N 3.06Å; D95-F97 PolarHBondContact O-N 2.92Å; F97-N99 PolarHBondContact O-N 3.4Å; F97-G100 PolarHBondContact O-N 3.41Å; F97-F102 HydrophobicContact CB-CE1 3.94Å; F97-F102 HydrophobicContact CD1-CD1 4.11Å; F97-F102 HydrophobicContact CD1-CE1 4.31Å; F97-F102 WeakPolarHBondContact O-CZ 3.37Å
98E72.9Confident79.6Confident148 Ų14893 Ų9369%0.69245%0.45SS*.Hα-helixtrans-61.1-41-179-172.1154.8-14400113G94 G100G94-E98 PolarHBondContact O-N 3.39Å; G94-E98 VanDerWaalsContact O-N 3.09Å; E98-G100 PolarHBondContact O-N 3.05Å
99N72Confident78.9Confident146 Ų14694 Ų9478%0.78145%0.453SS*.THydrogen-bonded Turntrans-73.529.9174.8-66.5-32.4000113.9F97 S101F97-N99 PolarHBondContact O-N 3.4Å; N99-S101 PolarHBondContact O-N 2.96Å
100G69.6Low78.2Confident48 Ų48100 Ų10050%0.49548%0.478SS..SBendtrans66.62.5176.600000116.4F97 E98 F102F97-G100 PolarHBondContact O-N 3.41Å; E98-G100 PolarHBondContact O-N 3.05Å; G100-F102 VanDerWaalsContact C-N 3.29Å; G100-F102 VanDerWaalsContact O-CD2 3.23Å; G100-F102 WeakPolarHBondContact O-CD2 3.49Å; G100-F102 PolarHBondContact O-N 3.42Å
101S79.1Confident77.6Confident65 Ų65101 Ų10146%0.45549%0.486SS..  trans-82.365.9-170.7-161.80000113.2N99 L103N99-S101 PolarHBondContact O-N 2.96Å; S101-L103 VanDerWaalsContact C-N 3.25Å; S101-L103 PolarHBondContact O-N 2.89Å
102F80Confident76.8Confident37 Ų37105 Ų10516%0.16250%0.501CS..  trans-78.8-1.7178.6-62.3-70.1000114.4Y16 S20 M24 Q27 F97 G100Y16-F102 HydrophobicContact CD1-CB 3.9Å; Y16-F102 HydrophobicContact CE1-CB 3.81Å; S20-F102 WeakPolarHBondContact CB-O 3.45Å; S20-F102 PolarHBondContact OG-O 3.49Å; M24-F102 HydrophobicContact CB-CE1 4.47Å; M24-F102 HydrophobicContact CG-CD1 3.5Å; M24-F102 VanDerWaalsContact CG-CD1 3.5Å; M24-F102 HydrophobicContact CG-CD2 4.24Å; M24-F102 HydrophobicContact CG-CE1 3.39Å; M24-F102 HydrophobicContact CG-CE2 4.16Å; M24-F102 HydrophobicContact CG-CG 3.94Å; M24-F102 HydrophobicContact CG-CZ 3.75Å; M24-F102 HydrophobicContact SD-CD1 4.25Å; M24-F102 HydrophobicContact SD-CD2 4.28Å; M24-F102 HydrophobicContact SD-CG 4.11Å; Q27-F102 VanDerWaalsContact OE1-CZ 3.26Å; F97-F102 HydrophobicContact CB-CE1 3.94Å; F97-F102 HydrophobicContact CD1-CD1 4.11Å; F97-F102 HydrophobicContact CD1-CE1 4.31Å; F97-F102 WeakPolarHBondContact O-CZ 3.37Å; G100-F102 VanDerWaalsContact C-N 3.29Å; G100-F102 VanDerWaalsContact O-CD2 3.23Å; G100-F102 WeakPolarHBondContact O-CD2 3.49Å; G100-F102 PolarHBondContact O-N 3.42Å
103L78.8Confident75.4Confident116 Ų116102.3 Ų102.361%0.60750%0.499SS*.SBendtrans-71160.6-179.9-64.4178.4000112.7S101 R105S101-L103 VanDerWaalsContact C-N 3.25Å; S101-L103 PolarHBondContact O-N 2.89Å; L103-R105 PolarHBondContact O-N 2.99Å
104R69.4Low73.8Confident226 Ų226107.6 Ų107.685%0.85354%0.543SS*.  trans-65103.3-178.1-179.2-176.1168.4-137.7-2.1111.8
105R73.1Confident72.6Confident93 Ų93111.2 Ų111.235%0.35157%0.571SS.*  trans-64.4144.6175.3-153.1172.5-61.213310.3112.1M96 L103 K107M96-R105 PolarHBondContact O-NH2 2.81Å; M96-R105 PolarHBondContact SD-NH1 3.06Å; L103-R105 PolarHBondContact O-N 2.99Å; R105-K107 WeakPolarHBondContact CG-O 3.36Å
106R68.7Low71.1Confident259 Ų259112.7 Ų112.798%0.97758%0.579SS**SBendtrans-77.1-41.9175.6-70.5-177.4-179.8141.5-1.3113
107K76.9Confident69.9Low173 Ų173118.5 Ų118.575%0.75261%0.605SS**SBendtrans-91.5131.5176.2-171.1174.8179.5-179.90109.5R105R105-K107 WeakPolarHBondContact CG-O 3.36Å
108R77.8Confident68.5Low171 Ų171126 Ų12665%0.64564%0.644SS**PPolyproline II helixtrans-73.2146.3171.4-70.2-176.8178.7-102.39.8110.1N68N68-R108 PolarHBondContact OD1-NH1 3.16Å
109F79.9Confident66.8Low31 Ų31122 Ų12214%0.13664%0.642CS.*PPolyproline II helixtrans-67.5149.4160.6178.9-108.7000109.4D69 C70 H90 N92 C93 M96 V111D69-F109 HydrophobicContact CB-CD1 4.12Å; D69-F109 HydrophobicContact CB-CE1 3.99Å; C70-F109 HydrophobicContact CB-CD1 4.37Å; C70-F109 VanDerWaalsContact SG-CD1 3.6Å; H90-F109 HydrophobicContact CB-CE1 4.39Å; N92-F109 HydrophobicContact CB-CE2 4.19Å; N92-F109 HydrophobicContact CB-CZ 4.18Å; N92-F109 VanDerWaalsContact O-CE2 3.31Å; N92-F109 WeakPolarHBondContact O-CE2 3.37Å; C93-F109 HydrophobicContact CB-CD1 4.17Å; C93-F109 HydrophobicContact CB-CD2 4.06Å; C93-F109 HydrophobicContact CB-CE1 4.02Å; C93-F109 HydrophobicContact CB-CE2 3.91Å; C93-F109 HydrophobicContact CB-CG 4.18Å; C93-F109 HydrophobicContact CB-CZ 3.89Å; M96-F109 HydrophobicContact CE-CD2 3.64Å; M96-F109 HydrophobicContact CE-CE2 4.15Å; M96-F109 HydrophobicContact SD-CB 4.47Å; M96-F109 HydrophobicContact SD-CD2 4.02Å; F109-V111 HydrophobicContact CE1-CG2 3.69Å; F109-V111 HydrophobicContact CZ-CG2 3.82Å
110K80.9Confident65.9Low152 Ų152121.5 Ų121.566%0.66165%0.647SS**  trans-147.4141.5166.6-73-166.5171.7-164.40107.6D69 L112D69-K110 VanDerWaalsContact OD2-CA 3.23Å; D69-K110 WeakPolarHBondContact OD2-CA 3.44Å; K110-L112 PolarHBondContact O-N 3.39Å
111V80.4Confident64.9Low55 Ų55124.3 Ų124.333%0.33366%0.655SS.*  trans-76.3112.2168174.40000108.3D69 F109 G113D69-V111 HydrophobicContact CB-CB 4.32Å; D69-V111 HydrophobicContact CB-CG2 3.73Å; D69-V111 PolarHBondContact OD2-N 3.3Å; F109-V111 HydrophobicContact CE1-CG2 3.69Å; F109-V111 HydrophobicContact CZ-CG2 3.82Å; V111-G113 PolarHBondContact O-N 3.05Å; V111-G113 VanDerWaalsContact O-N 3.11Å
112L73.5Confident63.5Low177 Ų177129.1 Ų129.193%0.92767%0.668SS**SBendtrans-80.184.4174.4-70.7171000109.4K110K110-L112 PolarHBondContact O-N 3.39Å
113G55Low62Low51 Ų51136.5 Ų136.553%0.52670%0.703SS.*  trans140.592.2169.500000115.1V111V111-G113 PolarHBondContact O-N 3.05Å; V111-G113 VanDerWaalsContact O-N 3.11Å
114A51.6Low60.7Low110 Ų110134.3 Ų134.391%0.90970%0.697SS**SBendtrans-141.41.8154.100000112.8
115A51.4Low60Low95 Ų95127.4 Ų127.479%0.78568%0.677SS**SBendtrans-146.9-27.3-175.200000113.6H117A115-H117 PolarHBondContact O-N 2.85Å
116D48.1Very low59.4Low141 Ų141126.6 Ų126.675%0.75469%0.69SS**  trans-93.588.2-177.4-65.9-50.9000112.3
117H50.9Low59.2Low190 Ų190117.1 Ų117.188%0.8867%0.667SS**  trans-102.214.3162.4-132.8-66.1000112.6A115A115-H117 PolarHBondContact O-N 2.85Å
118L49.4Very low58.6Low163 Ų163115.2 Ų115.285%0.85366%0.661SS**SBendtrans-141104.1-178.9-70.8175.3000112.4
119G36.2Very low58.2Low62 Ų62114.4 Ų114.464%0.63966%0.659SS**  trans96.9112.1154.600000118T121G119-T121 PolarHBondContact O-N 3.34Å
120P53.5Low58Low136 Ų136118.6 Ų118.688%0.88368%0.682SS**  trans-89.347.9178.137.1-36.5000114
121T47.6Very low57.9Low108 Ų108118.4 Ų118.466%0.66368%0.684SS**  trans-141.1102.4-175.744.30000114.2G119G119-T121 PolarHBondContact O-N 3.34Å
122K51.4Low57.7Low166 Ų166121 Ų12172%0.72269%0.692SS**  trans-173.321152.4-109.4152.3-169.1170.90119D125K122-D125 VanDerWaalsContact CE-OD2 3.3Å; K122-D125 WeakPolarHBondContact CE-OD2 3.29Å; K122-D125 WeakPolarHBondContact CG-OD2 3.4Å
123Q47.9Very low57.7Low192 Ų192117 Ų11790%0.89767%0.669SS**SBendtrans-88-11.5168.6-68-172.21300113.5
124S50.8Low58.6Low70 Ų70117.3 Ų117.349%0.4967%0.666SS.*SBendtrans-70-47.3171.941.30000113.3A126 A127 H128S124-A126 VanDerWaalsContact C-N 3.34Å; S124-A126 PolarHBondContact O-N 3.29Å; S124-A127 PolarHBondContact O-N 2.98Å; S124-A127 VanDerWaalsContact O-N 3.12Å; S124-H128 PolarHBondContact O-N 3.14Å
125D55.9Low59.8Low80 Ų80120 Ų12043%0.42866%0.657SS.*Hα-helixtrans-66.8-35.8-160.8-58.15.2000112.1K122 A127 H128 Y129K122-D125 VanDerWaalsContact CE-OD2 3.3Å; K122-D125 WeakPolarHBondContact CE-OD2 3.29Å; K122-D125 WeakPolarHBondContact CG-OD2 3.4Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A127 PolarHBondContact O-N 3.17Å; D125-H128 PolarHBondContact O-N 3.42Å; D125-Y129 VanDerWaalsContact O-CB 3.26Å; D125-Y129 WeakPolarHBondContact O-CB 3.48Å; D125-Y129 PolarHBondContact O-N 3.26Å
126A59.1Low60.8Low76 Ų76120.8 Ų120.863%0.62865%0.648SS**Hα-helixtrans-64.1-37.3177.500000112.6S124 L130S124-A126 VanDerWaalsContact C-N 3.34Å; S124-A126 PolarHBondContact O-N 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.48Å; A126-L130 PolarHBondContact O-N 2.9Å
127A64.1Low61.7Low61 Ų61123.5 Ų123.550%0.50465%0.647SS.*Hα-helixtrans-72.3-43.9175.400000111.1S124 D125 L130 Q131S124-A127 PolarHBondContact O-N 2.98Å; S124-A127 VanDerWaalsContact O-N 3.12Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A127 PolarHBondContact O-N 3.17Å; A127-L130 PolarHBondContact O-N 3.45Å; A127-Q131 WeakPolarHBondContact O-CB 3.41Å; A127-Q131 PolarHBondContact O-N 2.84Å
128H66.3Low62.3Low133 Ų133120.3 Ų120.362%0.61664%0.636SS**Hα-helixtrans-63.9-42.7179.5-159.2-86.6000112S124 D125 Q131 Q132S124-H128 PolarHBondContact O-N 3.14Å; D125-H128 PolarHBondContact O-N 3.42Å; H128-Q131 PolarHBondContact O-N 2.98Å; H128-Q132 VanDerWaalsContact O-CB 3.28Å; H128-Q132 WeakPolarHBondContact O-CB 3.36Å; H128-Q132 PolarHBondContact O-N 3.42Å
129Y68.7Low63.2Low154 Ų154115.7 Ų115.760%0.60462%0.618SS**Hα-helixtrans-63-45.6176.4-172.7-93.6000112D125 Q131 Q132 Q133D125-Y129 VanDerWaalsContact O-CB 3.26Å; D125-Y129 WeakPolarHBondContact O-CB 3.48Å; D125-Y129 PolarHBondContact O-N 3.26Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Y129-Q131 PolarHBondContact O-N 3.29Å; Y129-Q132 PolarHBondContact O-N 3.01Å; Y129-Q133 WeakPolarHBondContact O-CB 3.27Å; Y129-Q133 PolarHBondContact O-N 3.04Å
130L74.9Confident64.3Low119 Ų119116 Ų11662%0.62362%0.615SS**Hα-helixtrans-62.3-41.9177.3-173.766.4000111.7A126 A127 Q133 A134A126-L130 WeakPolarHBondContact O-CB 3.48Å; A126-L130 PolarHBondContact O-N 2.9Å; A127-L130 PolarHBondContact O-N 3.45Å; L130-Q133 PolarHBondContact O-N 2.94Å; L130-A134 PolarHBondContact O-N 3.14Å
131Q78.4Confident64.5Low148 Ų148115.8 Ų115.869%0.69261%0.605SS**Hα-helixtrans-71.4-34.4178.5-168.6160.55.300112.6A127 H128 Y129 A134 K135A127-Q131 WeakPolarHBondContact O-CB 3.41Å; A127-Q131 PolarHBondContact O-N 2.84Å; H128-Q131 PolarHBondContact O-N 2.98Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Y129-Q131 PolarHBondContact O-N 3.29Å; Q131-A134 PolarHBondContact O-N 3.09Å; Q131-K135 WeakPolarHBondContact O-CB 3.33Å; Q131-K135 PolarHBondContact O-N 3.04Å
132Q76.6Confident64.9Low109 Ų109114.6 Ų114.651%0.50961%0.606SS.*Hα-helixtrans-66-40.7172.2-172.1170.42.700111.6H128 Y129 K135 L136H128-Q132 VanDerWaalsContact O-CB 3.28Å; H128-Q132 WeakPolarHBondContact O-CB 3.36Å; H128-Q132 PolarHBondContact O-N 3.42Å; Y129-Q132 PolarHBondContact O-N 3.01Å; Q132-K135 PolarHBondContact O-N 3.35Å; Q132-L136 WeakPolarHBondContact O-CG 3.34Å; Q132-L136 PolarHBondContact O-N 3.23Å
133Q73.3Confident64.8Low93 Ų93110.6 Ų110.644%0.43560%0.604SS.*Hα-helixtrans-66.4-36.9175.7-160.7176.180.100112Y129 L130 R137Y129-Q133 WeakPolarHBondContact O-CB 3.27Å; Y129-Q133 PolarHBondContact O-N 3.04Å; L130-Q133 PolarHBondContact O-N 2.94Å; Q133-R137 PolarHBondContact O-N 3.19Å; Q133-R137 VanDerWaalsContact O-N 3.11Å
134A75.2Confident64.8Low58 Ų58107.3 Ų107.348%0.47960%0.597SS.*Hα-helixtrans-65.6-39.7170.700000112.6L130 Q131 R137 L138L130-A134 PolarHBondContact O-N 3.14Å; Q131-A134 PolarHBondContact O-N 3.09Å; A134-R137 WeakPolarHBondContact O-CB 3.2Å; A134-R137 PolarHBondContact O-N 3.06Å; A134-L138 PolarHBondContact O-N 3.1Å
135K75.7Confident64.5Low165 Ų165106.9 Ų106.972%0.71760%0.604SS**Hα-helixtrans-64.1-41.5178.4-156.4172-172.8179.30111.8Q131 Q132 L138 S139Q131-K135 WeakPolarHBondContact O-CB 3.33Å; Q131-K135 PolarHBondContact O-N 3.04Å; Q132-K135 PolarHBondContact O-N 3.35Å; K135-L138 PolarHBondContact O-N 3.08Å; K135-S139 PolarHBondContact O-N 3.1Å; K135-S139 PolarHBondContact O-OG 3.44Å
136L72.6Confident64.1Low113 Ų113109.7 Ų109.759%0.59262%0.624SS**Hα-helixtrans-65.4-40.7174-71.3170.4000112.8Q132 L138 S139 A140Q132-L136 WeakPolarHBondContact O-CG 3.34Å; Q132-L136 PolarHBondContact O-N 3.23Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 2.99Å; L136-S139 WeakPolarHBondContact CA-OG 3.24Å; L136-S139 PolarHBondContact O-N 2.91Å; L136-S139 PolarHBondContact O-OG 3.06Å; L136-A140 WeakPolarHBondContact O-CB 3.19Å; L136-A140 PolarHBondContact O-N 3.04Å; L136-A140 VanDerWaalsContact O-N 3.08Å
137R67.6Low62.9Low197 Ų197115 Ų11574%0.74364%0.636SS**Hα-helixtrans-58.5-39.5173.1-85.3-82.9177.880.4-2.6112.2Q133 A134Q133-R137 PolarHBondContact O-N 3.19Å; Q133-R137 VanDerWaalsContact O-N 3.11Å; A134-R137 WeakPolarHBondContact O-CB 3.2Å; A134-R137 PolarHBondContact O-N 3.06Å
138L64.4Low61.8Low124 Ų124118.6 Ų118.665%0.64965%0.645SS**Hα-helixtrans-76.7-39.2-179.4-164.766000112.5A134 K135 L136 A140 L141 A142A134-L138 PolarHBondContact O-N 3.1Å; K135-L138 PolarHBondContact O-N 3.08Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 2.99Å; L138-A140 VanDerWaalsContact C-N 3.29Å; L138-A140 PolarHBondContact O-N 2.74Å; L138-L141 PolarHBondContact O-N 2.91Å; L138-A142 PolarHBondContact O-N 3.4Å
139S66.3Low60.9Low66 Ų66118.2 Ų118.246%0.46266%0.655SS.*Hα-helixtrans-65-32.617555.80000112.9K135 L136 L141 A142 A143K135-S139 PolarHBondContact O-N 3.1Å; K135-S139 PolarHBondContact O-OG 3.44Å; L136-S139 WeakPolarHBondContact CA-OG 3.24Å; L136-S139 PolarHBondContact O-N 2.91Å; L136-S139 PolarHBondContact O-OG 3.06Å; S139-L141 PolarHBondContact O-N 2.82Å; S139-A142 PolarHBondContact O-N 2.8Å; S139-A143 PolarHBondContact O-N 3.01Å
140A59.3Low59.9Low69 Ų69117.7 Ų117.757%0.5766%0.658SS**Hα-helixtrans-64.7-26.8174.800000113.2L136 L138L136-A140 WeakPolarHBondContact O-CB 3.19Å; L136-A140 PolarHBondContact O-N 3.04Å; L136-A140 VanDerWaalsContact O-N 3.08Å; L138-A140 VanDerWaalsContact C-N 3.29Å; L138-A140 PolarHBondContact O-N 2.74Å
141L57.8Low57.7Low130 Ų130119.8 Ų119.868%0.68167%0.666SS**Hα-helixtrans-83.6-29.1175.6-166.269.5000112.3L138 S139 A143L138-L141 PolarHBondContact O-N 2.91Å; S139-L141 PolarHBondContact O-N 2.82Å; L141-A143 VanDerWaalsContact C-N 3.31Å
142A56.6Low56.1Low84 Ų84118.2 Ų118.269%0.69467%0.672SS**Hα-helixtrans-77.4-14.4177.300000113.7L138 S139 T144L138-A142 PolarHBondContact O-N 3.4Å; S139-A142 PolarHBondContact O-N 2.8Å; A142-T144 PolarHBondContact O-N 3.19Å
143A49.5Very low53.9Low81 Ų81118.1 Ų118.167%0.66968%0.684SS**THydrogen-bonded Turntrans-75.5-2.1-178.300000114.7S139 L141S139-A143 PolarHBondContact O-N 3.01Å; L141-A143 VanDerWaalsContact C-N 3.31Å
144T46.9Very low52.1Low124 Ų124123.8 Ų123.876%0.76170%0.702SS**  trans-123.871.5-177.457.10000112.8A142A142-T144 PolarHBondContact O-N 3.19Å
145G44.8Very low50.4Low61 Ų61127.5 Ų127.563%0.62971%0.714SS**  trans-143.1147.7157.400000109.1
146T47.4Very low48.5Very low139 Ų139127.3 Ų127.385%0.85372%0.72SS**  cis-154.3145.62.947.30000110.3
147H35.7Very low46.5Very low187 Ų187125.7 Ų125.787%0.86673%0.73SS**  trans-164153.4145.3-144.1-102.1000112.3
148L40.4Very low45.1Very low136 Ų136123.2 Ų123.271%0.71274%0.737SS**  trans-100.2162.6170.5-141.975.7000109
149P47.2Very low43.7Very low125 Ų125122.9 Ų122.981%0.81275%0.745SS**  -139162.676.224.9-3.2000115.1
150Q47.4Very low42.4Very low143 Ų143128.7 Ų128.767%0.66877%0.765SS**  trans-54137.1164.9164.7-164.6-35.100112.7
151M29.7Very low41.1Very low163 Ų163131.1 Ų131.180%0.80378%0.778SS**  -165.7149.1128.4-84.7-37.7143.400110.9
152S44.2Very low40.2Very low115 Ų115130.5 Ų130.580%0.80478%0.784SS**  trans-95.6140179.6-49.80000111.9
153S30.1Very low39.8Very low108 Ų108132.3 Ų132.376%0.75579%0.787SS**  trans-171.7169.7145-96.10000115.4
154Y34.4Very low39.6Very low212 Ų212136.5 Ų136.583%0.83179%0.79SS**  trans-35.6143.9-165.449.2-94.3000122.4
155N40.8Very low40Very low136 Ų136138.1 Ų138.173%0.72779%0.787SS**  trans-31.1163.3153.2-166.722.6000120
156L35.7Very low40.8Very low161 Ų161140.4 Ų140.484%0.84378%0.781SS**  trans83.5111.8148.9-138.876.2000120.2
157G30.5Very low41.4Very low78 Ų78138.5 Ų138.580%0.80477%0.771SS**  trans175.9124.9166.600000113.5
158V38.9Very low42.6Very low145 Ų145137.8 Ų137.888%0.87977%0.765SS**  trans-95.5135.3-177.3165.40000112.2
159S33.5Very low44.1Very low117 Ų117132.7 Ų132.782%0.81874%0.743SS**  trans-168.6151.913943.30000111.6
160Q38.8Very low44.7Very low188 Ų188132.7 Ų132.788%0.87974%0.735SS**  trans-102.4156176.4-62.5-179.28.500111.1
161S33.3Very low45.7Very low121 Ų121133.2 Ų133.285%0.84674%0.738SS**  trans-157.1169.2139.8670000112.2
162S38.6Very low47Very low117 Ų117128.1 Ų128.182%0.81871%0.713SS**  trans7986.7174.3-152.30000117.6
163T47.7Very low47.9Very low122 Ų122127.8 Ų127.875%0.74870%0.702SS**  trans-80.2110.2169.445.40000112.3
164F46.4Very low49.5Very low168 Ų168128.8 Ų128.874%0.73770%0.697SS**  trans-126.777.9158.9-163.2-106000111.2H166F164-H166 AromaticContact CE1-CD2 3.85Å; F164-H166 AromaticContact CE1-CE1 3.75Å; F164-H166 AromaticContact CE1-NE2 3.61Å; F164-H166 PolarHBondContact O-N 3.48Å
165K55.4Low50.4Low158 Ų158122 Ų12269%0.68769%0.685SS**  trans-76.986.2-176.8-68-166.8175.2-168.70111.4
166H60.5Low51Low110 Ų110125.8 Ų125.851%0.50969%0.689SS.*  trans-54.7140.1169-98.2-57.9000111.2F164 F168 A169 N172F164-H166 AromaticContact CE1-CD2 3.85Å; F164-H166 AromaticContact CE1-CE1 3.75Å; F164-H166 AromaticContact CE1-NE2 3.61Å; F164-H166 PolarHBondContact O-N 3.48Å; H166-F168 PolarHBondContact O-N 3.45Å; H166-F168 VanDerWaalsContact O-N 3.08Å; H166-A169 HydrophobicContact CB-CB 4.42Å; H166-A169 WeakPolarHBondContact O-CB 3.38Å; H166-A169 PolarHBondContact O-N 2.93Å; H166-N172 PolarHBondContact O-ND2 2.9Å; H166-N172 VanDerWaalsContact O-ND2 3.14Å
167P60.7Low51.7Low98 Ų98127 Ų12764%0.63669%0.69SS**THydrogen-bonded Turntrans-66.7-9.9178.127.2-35000113.8
168F59.4Low52.2Low172 Ų172133 Ų13375%0.75469%0.69SS**THydrogen-bonded Turntrans-111.611.5175.9-53.7-67.8000113.4H166 I170H166-F168 PolarHBondContact O-N 3.45Å; H166-F168 VanDerWaalsContact O-N 3.08Å; F168-I170 PolarHBondContact O-N 3.33Å
169A72.7Confident52.1Low30 Ų30135.9 Ų135.925%0.24869%0.691CS.*  trans-62.9135174.200000110.5H166 E171 N172 I173H166-A169 HydrophobicContact CB-CB 4.42Å; H166-A169 WeakPolarHBondContact O-CB 3.38Å; H166-A169 PolarHBondContact O-N 2.93Å; A169-E171 PolarHBondContact O-N 3.17Å; A169-N172 WeakPolarHBondContact O-CB 3.36Å; A169-N172 PolarHBondContact O-N 3.26Å; A169-I173 PolarHBondContact O-N 2.96Å
170I59.3Low52.3Low125 Ų125136.5 Ų136.564%0.64169%0.69SS**Hα-helixtrans-57.7-37-172.4-66.6167.8000111.7F168 N172 I173 I174F168-I170 PolarHBondContact O-N 3.33Å; I170-N172 VanDerWaalsContact C-N 3.32Å; I170-N172 PolarHBondContact O-N 3.08Å; I170-I173 WeakPolarHBondContact O-CB 3.35Å; I170-I173 PolarHBondContact O-N 3.34Å; I170-I174 HydrophobicContact CG2-CD1 3.66Å; I170-I174 HydrophobicContact CG2-CG1 4.23Å; I170-I174 WeakPolarHBondContact O-CG1 3.33Å; I170-I174 PolarHBondContact O-N 3.09Å
171E68.5Low52.4Low154 Ų154133.4 Ų133.472%0.7269%0.685SS**Hα-helixtrans-53.7-44173.2-64.6164.7-128.500112.9A169 I173 I174 A175A169-E171 PolarHBondContact O-N 3.17Å; E171-I173 PolarHBondContact O-N 3.06Å; E171-I174 PolarHBondContact O-N 3.11Å; E171-A175 WeakPolarHBondContact O-CB 3.37Å; E171-A175 PolarHBondContact O-N 2.98Å
172N57.9Low53Low55 Ų55131.5 Ų131.529%0.29469%0.685SS.*Hα-helixtrans-73.6-13.4179.7-70.2-33.2000113.4H166 A169 I170H166-N172 PolarHBondContact O-ND2 2.9Å; H166-N172 VanDerWaalsContact O-ND2 3.14Å; A169-N172 WeakPolarHBondContact O-CB 3.36Å; A169-N172 PolarHBondContact O-N 3.26Å; I170-N172 VanDerWaalsContact C-N 3.32Å; I170-N172 PolarHBondContact O-N 3.08Å
173I63.6Low52.7Low109 Ų109131.8 Ų131.856%0.55969%0.687SS**Hα-helixtrans-89.1-46.1175.8-59.8174000109.4A169 I170 E171A169-I173 PolarHBondContact O-N 2.96Å; I170-I173 WeakPolarHBondContact O-CB 3.35Å; I170-I173 PolarHBondContact O-N 3.34Å; E171-I173 PolarHBondContact O-N 3.06Å
174I62.7Low52.5Low128 Ų128133.8 Ų133.866%0.65669%0.692SS**Hα-helixtrans-68.5-38.3179.5-62.7172.2000111.5I170 E171 R176I170-I174 HydrophobicContact CG2-CD1 3.66Å; I170-I174 HydrophobicContact CG2-CG1 4.23Å; I170-I174 WeakPolarHBondContact O-CG1 3.33Å; I170-I174 PolarHBondContact O-N 3.09Å; E171-I174 PolarHBondContact O-N 3.11Å; I174-R176 PolarHBondContact O-N 2.95Å
175A54.6Low52.2Low70 Ų70130.2 Ų130.258%0.57969%0.694SS**THydrogen-bonded Turntrans-68.63.6-173.500000116.1E171E171-A175 WeakPolarHBondContact O-CB 3.37Å; E171-A175 PolarHBondContact O-N 2.98Å
176R52.4Low51.1Low215 Ų215132.2 Ų132.281%0.81170%0.703SS**THydrogen-bonded Turntrans-89.3-20.6-175.9-68.3-168.3177.7-137.7-3.5115.1I174I174-R176 PolarHBondContact O-N 2.95Å
177E51Low50Low187 Ų187132 Ų13287%0.87471%0.714SS**SBendtrans-133.973.4-175.6-68.9-170.3177.700113.2
178Y41.2Very low49Very low204 Ų204133.7 Ų133.780%0.872%0.722SS**  trans-142.8116.1142.478.5-76.3000111.1
179K34.9Very low48.1Very low206 Ų206132.8 Ų132.890%0.89672%0.723SS**  trans-141.267.2164-170146.3-175.2170.70110.4
180V39.6Very low46.5Very low130 Ų130138.9 Ų138.979%0.78875%0.746SS**  trans-70.7128.3165-179.40000107.9
181P40.3Very low45.2Very low122 Ų122138 Ų13879%0.79275%0.751SS**  trans-81.1134.3178.431.7-33.1000111.4
182G45.9Very low43.7Very low81 Ų81139.1 Ų139.184%0.83576%0.758SS**  trans105.4102.416700000115.5
183S32.4Very low42.4Very low124 Ų124142.5 Ų142.587%0.86779%0.786SS**  trans-152.4162145.6-166.40000108.7
184L42.8Very low41.3Very low163 Ų163142 Ų14285%0.85380%0.799SS**  trans-108.4154.6-164-64.7169.1000113.1
185A39.5Very low39.8Very low93 Ų93139.6 Ų139.677%0.76981%0.805SS**  trans52.5122.215300000120.3
186F33.2Very low38.9Very low200 Ų200147.5 Ų147.588%0.87782%0.821SS**  -151.4149.5102.5-151.6-99.8000110.8
187S38Very low39.2Very low105 Ų105142.5 Ų142.573%0.73482%0.817SS**  trans-116.5142.5-175.4-620000112
188T38.9Very low38.4Very low134 Ų134141.6 Ų141.682%0.82282%0.817SS**  trans-147.6149.1162.2-61.80000109.5
189M40.8Very low38Very low154 Ų154139.7 Ų139.776%0.75982%0.815SS**  trans-98.9162.4-177.8-68.8178.6153.400112
190Q39.3Very low37.9Very low158 Ų158134.9 Ų134.974%0.73880%0.799SS**  cis-133.5-148.20.1-147.293-102.800107.5
191S31.6Very low37.6Very low107 Ų107135 Ų13575%0.74879%0.791SS**  cis-154.2-179.38.6-152.10000112.7
192M36.9Very low37.3Very low176 Ų176136.2 Ų136.287%0.86779%0.79SS**  trans-64.1140.1176.7-54.9-99.880.500114
193S31.4Very low36.7Very low126 Ų126137.9 Ų137.988%0.88178%0.784SS**  -169.7161.2119.6-1630000110.8
194A40.9Very low37Very low100 Ų100137.7 Ų137.783%0.82678%0.778SS**  trans-110.9152.4-179.700000112.2
195G30.1Very low36.5Very low76 Ų76134 Ų13478%0.78477%0.771SS**  trans163.5109.117200000114.7
196Y36.1Very low36.4Very low237 Ų237141 Ų14193%0.92978%0.778SS**  trans-94.5-178.8160.1-69.9-81.1000109
197P58.1Low36.8Very low109 Ų109137.3 Ų137.371%0.70877%0.774SS**  -136.4146.8-8637.8-19.3000114.7
198L34.7Very low36.9Very low169 Ų169141.2 Ų141.289%0.88578%0.78SS**  trans-160.5105.3164-152.279.3000117.7
199H32.4Very low36.6Very low164 Ų164143.8 Ų143.876%0.75979%0.785SS**  trans-172.6115133.6-138.778.4000106.7
200N32.3Very low36.2Very low105 Ų105146.3 Ų146.356%0.56179%0.788SS**  cis90.513848-169.637.3000113.7
201Q33.4Very low35.8Very low132 Ų132144 Ų14462%0.61778%0.78SS**  trans75.3121.7178.1-51.4-59.15.500120.9
202L33.7Very low35.8Very low148 Ų148143.1 Ų143.178%0.77578%0.775SS**  48.2141.6128-60.4165.7000119.6
203T34.8Very low35.6Very low116 Ų116140 Ų14071%0.71277%0.77SS**  cis-170.1161-5-175.60000105.5
204T38.9Very low36Very low119 Ų119140.2 Ų140.273%0.7377%0.765SS**  cis-150.9150.428.9-60.30000109.5
205A30.9Very low35.9Very low87 Ų87143 Ų14372%0.71977%0.765SS**  trans-82.8154.6-176.700000115
206W38.5Very low36Very low239 Ų239146.4 Ų146.491%0.90577%0.765SS**  trans-117.2112.1160.5-73.987.9000108.8H208W206-H208 PolarHBondContact O-N 3.49Å
207P41.8Very low35.8Very low122 Ų122140.8 Ų140.879%0.79276%0.756SS**  trans-84.9114.1-179.831.1-31.8000111.8
208H40.3Very low34.6Very low188 Ų188140.3 Ų140.387%0.8776%0.761SS**  trans-81.8134.5156.8-80.7-101.1000109.3W206W206-H208 PolarHBondContact O-N 3.49Å
209M30.6Very low34.6Very low187 Ų187136.7 Ų136.792%0.92176%0.755SS**  trans-82.7122.4171.8-68.9176.665.500110.9
210Y33.8Very low35.8Very low207 Ų207134.3 Ų134.381%0.81275%0.754SS**  trans-153143.9156.7-166.4-118.6000113.5
211N30.7Very low35.9Very low109 Ų109137.3 Ų137.358%0.58377%0.769SS**  trans62.3113.8165.6-113.14.5000122.5
212S32.1Very low35.9Very low90 Ų90135.4 Ų135.463%0.62977%0.77SS**  57.7109117.9-60.10000121.8
213S32.2Very low35.8Very low109 Ų109136.2 Ų136.276%0.76277%0.772SS**  43.7122.2115-48.90000120.4
214V40Very low35.8Very low131 Ų131136.4 Ų136.479%0.79477%0.773SS**  -160.9154.4101.3-90.10000111.2
215I39.3Very low35.3Very low158 Ų158136 Ų13681%0.8178%0.775SS**  trans14.6155.3152.277.7-166000121.5
216D31Very low35.5Very low149 Ų149136.4 Ų136.480%0.79777%0.773SS**  cis-178178.4-22.2-176.821.3000106.5
217T32.3Very low35.2Very low119 Ų119132.2 Ų132.273%0.7377%0.768SS**  trans103.2118.2158.9-41.20000118.1
218A32.8Very low34.8Very low98 Ų98136.5 Ų136.581%0.8177%0.77SS**  trans67.4130.8153.700000121.7
219A34.6Very low34.7Very low93 Ų93133.2 Ų133.277%0.76977%0.768SS**  trans-124.3-170.6157.600000107
220P57Low35Very low114 Ų114127.3 Ų127.374%0.7475%0.749SS**  cis-127.1-171.9-13.540.4-24.2000112.1
221I35.6Very low35.4Very low168 Ų168128.9 Ų128.986%0.86276%0.755SS**  trans178.5148.5135.5-94.2155.5000110.1
222S33.9Very low35.8Very low92 Ų92127.2 Ų127.264%0.64376%0.764SS**  trans-84.4163.1179.6-46.10000113.2
223M29.9Very low36.5Very low165 Ų165130 Ų13081%0.81378%0.777SS**  178.9150110.9-89.1-46.8169.800114.5
224T34.5Very low37.4Very low121 Ų121129.7 Ų129.774%0.74277%0.772SS**  trans2.4139.4157.259.40000121.7
225S30.5Very low37.5Very low109 Ų109130.1 Ų130.176%0.76277%0.769SS**  178.2146.9102.5-153.80000115.1
226S35.1Very low37.4Very low97 Ų97131.1 Ų131.168%0.67877%0.768SS**  trans59.494.5147.2-560000122.2
227D31.2Very low37.6Very low150 Ų150130.2 Ų130.280%0.80277%0.773SS**  -4.7141.3125.6-41.2-76.5000119.2
228Y32.8Very low38Very low213 Ų213132.5 Ų132.584%0.83578%0.78SS**  174.412296.7-157.8-91.5000113.9
229S38.5Very low38.4Very low118 Ų118132.1 Ų132.183%0.82577%0.77SS**  trans-175.5111.1153.2-84.10000108.8
230A37Very low38.9Very low64 Ų64136.2 Ų136.253%0.52977%0.773SS.*  92.189.168.200000113
231Y42.2Very low37.8Very low239 Ų239134.3 Ų134.394%0.93777%0.774SS**  trans69.791.9163.6-51.4-72.6000119.2
232G38.7Very low37.9Very low75 Ų75130.2 Ų130.277%0.77377%0.774SS**  trans-164.2100.2161.900000111
233V47.5Very low38.2Very low149 Ų149134.7 Ų134.790%0.90378%0.784SS**  trans-87.7158.8-179-103.40000111.2
234P51.3Low39.2Very low102 Ų102132 Ų13266%0.66278%0.781SS**  -123.2-179.8-122.738-23000113.7
235L41.2Very low39.9Very low140 Ų140134.1 Ų134.173%0.73379%0.787SS**  174.9137.3119.5-98.7165000115.5
236K37.8Very low40.7Very low179 Ų179134.4 Ų134.478%0.77879%0.787SS**  trans43.692.8156.636.2174.6172.7-171.80118.9
237S34.3Very low41.4Very low130 Ų130134.5 Ų134.591%0.90979%0.794SS**  trans-90.9122.7134.2-65.10000108.3
238L42.3Very low42.3Very low166 Ų166134.7 Ų134.787%0.86979%0.793SS**  trans-83.1143.9172-156.472000109.6
239C41.1Very low43.4Very low90 Ų90129.9 Ų129.961%0.60879%0.788SS**  trans-86.2-176.9-174.349.80000113.5
240H43.5Very low44.4Very low180 Ų180130.4 Ų130.483%0.83379%0.786SS**  trans74.6140.8-174.8-37.592.4000114.1
241G35.2Very low45Very low73 Ų73133 Ų13375%0.75380%0.797SS**  cis174.2135.6-500000109.6
242G36.5Very low45.3Very low83 Ų83129.7 Ų129.786%0.85679%0.794SS**  trans-76.4132.9-173.400000113.7
243Q40.8Very low45.8Very low186 Ų186135.4 Ų135.487%0.86980%0.797SS**  trans-139.1134.3155.9-84.9-73.4900106.9
244S50.6Low45.9Very low107 Ų107133.3 Ų133.375%0.74879%0.787SS**  trans-93.7140.1179.658.90000111.2
245L49.9Very low45.8Very low166 Ų166134.8 Ų134.887%0.86979%0.794SS**  trans-132.5133.2165.2-71176.1000109.1
246P48.1Very low46.3Very low116 Ų116133.7 Ų133.775%0.75380%0.796SS**PPolyproline II helixtrans-75.4147.3179.931.2-34.6000111.5I248P246-I248 PolarHBondContact O-N 3.41Å
247A48.2Very low46.6Very low99 Ų99131.3 Ų131.382%0.81880%0.796SS**PPolyproline II helixtrans-68.6125.9174.700000111P249A247-P249 WeakPolarHBondContact O-CD 3.44Å
248I51.7Low46.8Very low153 Ų153130 Ų13079%0.78579%0.787SS**PPolyproline II helixtrans-80.3121178.9-61.1172.9000109.4P246P246-I248 PolarHBondContact O-N 3.41Å
249P54.5Low46.8Very low112 Ų112129.6 Ų129.673%0.72778%0.783SS**PPolyproline II helixtrans-72.6129.6172-14.630.6000110.7A247 P251A247-P249 WeakPolarHBondContact O-CD 3.44Å; P249-P251 WeakPolarHBondContact O-CD 3.4Å
250V60.4Low46.7Very low130 Ų130132.6 Ų132.679%0.78880%0.799SS**PPolyproline II helixtrans-79.4122.9178.3-163.70000109.9
251P48.9Very low46.3Very low119 Ų119127.3 Ų127.377%0.77379%0.793SS**PPolyproline II helixtrans-79.2132.3-179.5-11.828.3000112.2P249P249-P251 WeakPolarHBondContact O-CD 3.4Å
252I49.5Very low46.6Very low169 Ų169133.8 Ų133.887%0.86780%0.801SS**  trans-120.5110.2163-47.9179000107.4
253K47.8Very low46.5Very low194 Ų194135.5 Ų135.584%0.84380%0.799SS**  trans-99.7177.6178.6-122.2-152.7152.8-176.50110.2
254P51.4Low46.2Very low105 Ų105131.5 Ų131.568%0.68280%0.798SS**  trans-116.2-178-136.732.6-11.6000114.5
255T47.2Very low45.7Very low133 Ų133134.2 Ų134.282%0.81680%0.803SS**  trans-54.4157.4171.5-17.90000114.1
256P52.5Low46.2Very low118 Ų118131.6 Ų131.677%0.76680%0.796SS**  trans-122152139.735.9-28.7000114.2
257T43.7Very low46.8Very low128 Ų128130.9 Ų130.979%0.78579%0.792SS**  trans-64.7166.6175.9-12.20000112.3
258S38.6Very low46.4Very low104 Ų104134.9 Ų134.973%0.72779%0.793SS**  -179.5133.671.3-166.20000115.6
259M43.4Very low46.3Very low156 Ų156133.9 Ų133.977%0.76879%0.788SS**  trans41.8117.2143-54.8-56.5170.200124.2
260T38.8Very low46.3Very low154 Ų154134.6 Ų134.695%0.94579%0.792SS**  trans178.7156.4131.919.80000108.3
261G35.4Very low45.4Very low69 Ų69132.3 Ų132.371%0.71179%0.788SS**  cis-176149.8-6.700000109.5
262F40.6Very low44.7Very low209 Ų209135.7 Ų135.792%0.91779%0.79SS**  trans-69.2141.8-167.7-67.4-99000116.6
263S35Very low44.1Very low118 Ų118134.8 Ų134.883%0.82579%0.787SS**  trans173.8127.1133.3-790000109.4
264A33.7Very low43.6Very low102 Ų102130.2 Ų130.284%0.84378%0.779SS**  97.1120.951.300000113.1
265L39.8Very low42.7Very low165 Ų165132.7 Ų132.786%0.86479%0.786SS**  trans-100.9-179.7172.6-75.4166.5000109.1
266P61.9Low42.4Very low110 Ų110131.9 Ų131.971%0.71479%0.786SS**  cis-122.5-121.7-47.236.5-18.2000107.3
267P59.9Low42.3Very low102 Ų102131.6 Ų131.666%0.66278%0.784SS**  -120.9174.3-52.138-24.7000113.1
268H39.5Very low41.9Very low182 Ų182134.2 Ų134.284%0.84379%0.788SS**  -161.7161.4127-131.1-94.1000115
269I49.2Very low41.9Very low132 Ų132134.2 Ų134.268%0.67779%0.787SS**  trans-109.7165.2170.8-25.6177.9000108.5
270P55.4Low41.6Very low127 Ų127134.7 Ų134.783%0.82579%0.793SS**  -134.1156.910737.8-29.9000113.8
271A40.5Very low41.8Very low83 Ų83131.7 Ų131.769%0.68678%0.777SS**  trans-114.4159.3-177.400000111.8
272F35.8Very low42.6Very low190 Ų190134.5 Ų134.583%0.83378%0.784SS**  trans-137.9121.4163.8-96.4-83.2000111.8
273L35.9Very low42.4Very low150 Ų150130.5 Ų130.579%0.78578%0.776SS**  trans27.9113149.3-53178000118.1
274S37.4Very low42.8Very low98 Ų98130.1 Ų130.169%0.68577%0.773SS**  69.2102.272.5-175.90000114.8
275N33.2Very low43.6Very low156 Ų156130.5 Ų130.583%0.83477%0.768SS**  -169.8138.9124.8-101.8-4.6000115.1
276S39.8Very low43.5Very low116 Ų116131.3 Ų131.381%0.81177%0.767SS**  trans-174.2156.8162-79.40000106.3
277P51.5Low42.2Very low112 Ų112131.3 Ų131.373%0.72777%0.765SS**  cis-131.9173.69.542.8-28.2000115
278Q34.9Very low41.1Very low184 Ų184130.7 Ų130.786%0.8677%0.769SS**  trans-176.4127.3140.2-99.2157.766.100106.3
279S37.5Very low41Very low103 Ų103127.9 Ų127.972%0.7277%0.765SS**  66.396.959.7-179.20000113.7
280L38.4Very low40.4Very low167 Ų167127.1 Ų127.187%0.87477%0.771SS**  -170.8153.1128.8-101.8165.5000110.6
281S42.1Very low39.5Very low90 Ų90130.5 Ų130.563%0.62978%0.776SS**  trans-92174.5169.652.90000111
282P52.3Low39.3Very low129 Ų129132.3 Ų132.384%0.83878%0.783SS**  trans-125.9151.613135.9-30.7000113.3
283T36.7Very low39.8Very low124 Ų124128.8 Ų128.876%0.76178%0.782SS**PPolyproline II helixtrans-103.5148-178-47.30000110.6
284S42.6Very low40.7Very low110 Ų110127.7 Ų127.777%0.76978%0.784SS**PPolyproline II helixtrans-74145.4171.7-43.30000113.4
285P51.5Low40.7Very low111 Ų111127.8 Ų127.872%0.72179%0.791SS**PPolyproline II helixtrans-102150.4132-10.730.3000109.5
286Q37.9Very low41.3Very low181 Ų181126.1 Ų126.185%0.84679%0.786SS**  62.2139.654.9-68.4-151.275.400114.9
287T35.1Very low42Very low110 Ų110126.5 Ų126.568%0.67579%0.786SS**  cis-168.7130-16.1-79.20000108.6
288A35.3Very low41.5Very low90 Ų90125.8 Ų125.874%0.74478%0.784SS**  trans179.6132.815700000108.8
289T37.7Very low41.8Very low123 Ų123126.4 Ų126.476%0.75579%0.787SS**  cis82.187.639.268.10000117
290S36.5Very low41.8Very low116 Ų116127.1 Ų127.181%0.81179%0.787SS**  trans-174.7107.1146.6-76.90000107.1
291Q37.1Very low41.8Very low198 Ų198126.7 Ų126.793%0.92579%0.785SS**  58.196.377.6-69.4-159.827.600115.6
292S36.8Very low41.6Very low121 Ų121128.7 Ų128.785%0.84679%0.793SS**  -166.5149.3128.159.50000112
293S44.8Very low41.1Very low116 Ų116127.5 Ų127.581%0.81179%0.788SS**  trans-159.8179.1173-64.30000106.6
294P55.2Low41.9Very low127 Ų127126.9 Ų126.983%0.82579%0.786SS**  -115172.8-65.337.8-27.2000110.7
295A38.1Very low41.7Very low100 Ų100127 Ų12783%0.82679%0.787SS**  trans-142.9114.5168.600000112.3
296T45.5Very low41.2Very low120 Ų120127.6 Ų127.674%0.73679%0.788SS**  trans-77163.2156.6-16.80000108.8
297P54.9Low41.7Very low124 Ų124126.8 Ų126.881%0.80579%0.789SS**  -138.1158.397.137.6-26.7000114.2
298S41.7Very low42Very low98 Ų98130.9 Ų130.969%0.68580%0.801SS**  trans-95.3147.8161.7-49.60000108.9
299E39.4Very low42.5Very low197 Ų197132.2 Ų132.292%0.92181%0.805SS**  trans-126.2154.8153.3-75.5-153.3123.200110.8
300T39.5Very low43.2Very low118 Ų118133.1 Ų133.172%0.72481%0.81SS**  trans-141.3163.2-173.7-53.90000107.3
301L36.9Very low44Very low158 Ų158132.2 Ų132.283%0.82781%0.809SS**  trans81.6148.2-175.5-46.3159.3000111.9
302T38.8Very low44.6Very low132 Ų132129.4 Ų129.481%0.8181%0.805SS**  cis-145.1163.54.4-22.10000111
303S40.6Very low45Very low103 Ų103135.6 Ų135.672%0.7282%0.82SS**  trans-103.2-174.7168.164.90000110.3
304P55Low45Very low111 Ų111136.6 Ų136.672%0.72182%0.82SS**  cis-130.2-154.2-1040.5-22000112.8
305S37Very low44.5Very low113 Ų113137.1 Ų137.179%0.7982%0.82SS**  trans95.3137.9-179.7-42.50000113.6
306T42.6Very low44.9Very low123 Ų123139.1 Ų139.176%0.75582%0.82SS**  cis-150.4138.843.3-67.40000113.9
307L47.4Very low44.8Very low164 Ų164140.2 Ų140.286%0.85983%0.825SS**  trans34.7133.5157.2-60.8169.9000122.4
308Q42.2Very low44.2Very low197 Ų197141.3 Ų141.392%0.92183%0.826SS**  trans-70.7150.5161.5-64.5161.7-94.600111.7
309S45.2Very low44.4Very low118 Ų118144.1 Ų144.183%0.82584%0.835SS**  trans-149.197.1160.8-172.50000111.2
310V52.2Low44.7Very low142 Ų142140.4 Ų140.486%0.86183%0.829SS**  trans-143.3124.3160-179.70000106.4
311A52.9Low45.1Very low96 Ų96142.1 Ų142.179%0.79384%0.837SS**  trans-103.1141.3177.900000110.7
312V49.9Very low45.8Very low140 Ų140140.8 Ų140.885%0.84884%0.838SS**  trans-143.1105.1159.9-178.40000108.3
313H45.9Very low46.5Very low250 Ų250141.5 Ų141.5100%1.15784%0.841SS**  trans-155.30131.2-143.3-48.1000110.8

Retrieved 313 of 313 residues in 79.3 ms (Link to these results)