A0A060WX98_ONCMY Loading...

Forkhead box B2

AlphaFold DB , UniProt , Accession A0A060WX98, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110535785, Length 311 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
1M54.6Low61.4Low230 Ų230127.7 Ų127.7100%1.13367%0.666SS**  0124.70-67.1168.579.900108.2R3M1-R3 PolarHBondContact O-N 3.48Å
2P65.8Low63.5Low130 Ų130127.2 Ų127.284%0.84466%0.658SS**PPolyproline II helixtrans-63134.2175.8-13.727.8000109.5
3R58.2Low65.7Low232 Ų232126.7 Ų126.788%0.87565%0.647SS**PPolyproline II helixtrans-67.6131.2172.7-79-173.2-178.2-162.91.7108.8M1 G5M1-R3 PolarHBondContact O-N 3.48Å; R3-G5 PolarHBondContact O-N 3.29Å
4P62.8Low67.5Low72 Ų72118.9 Ų118.947%0.46861%0.609SS.*PPolyproline II helixtrans-53.2137.1172.9-24.433.3000110.8Y9P4-Y9 HydrophobicContact CB-CE2 4.09Å
5G58.1Low69.1Low53 Ų53117.4 Ų117.455%0.54661%0.61SS.*PPolyproline II helixtrans-56.7148.1179.600000111.9R3 N7 S8R3-G5 PolarHBondContact O-N 3.29Å; G5-N7 PolarHBondContact O-N 2.93Å; G5-S8 PolarHBondContact O-N 3.24Å
6K57.1Low70.6Confident195 Ų195114.7 Ų114.785%0.84859%0.59SS**THydrogen-bonded Turntrans-51.9-20.7-173.5-71.6172.9175.6176.90114.8
7N55.2Low72Confident138 Ų138110 Ų11074%0.73857%0.57SS**THydrogen-bonded Turntrans-84-14.1178.9-62.34.4000114.1G5 S10G5-N7 PolarHBondContact O-N 2.93Å; N7-S10 PolarHBondContact O-OG 3.16Å; N7-S10 VanDerWaalsContact O-OG 3.08Å
8S58Low73.3Confident56 Ų56106.7 Ų106.739%0.39255%0.549SS..SBendtrans-80.5-22.9179.1-178.60000112.8G5G5-S8 PolarHBondContact O-N 3.24Å
9Y59.5Low74.4Confident145 Ų145102.7 Ų102.757%0.56953%0.529SS*.SBendtrans-76.9-24-176.8-76.3-84.2000113.6P4 D11 Q12P4-Y9 HydrophobicContact CB-CE2 4.09Å; Y9-D11 VanDerWaalsContact C-N 3.27Å; Y9-D11 PolarHBondContact O-N 2.81Å; Y9-Q12 PolarHBondContact O-N 3.4Å
10S66.5Low75.4Confident54 Ų5497.8 Ų97.838%0.37850%0.504SS..THydrogen-bonded Turntrans-70.2-25.5177.452.20000113.4N7 Y49N7-S10 PolarHBondContact O-OG 3.16Å; N7-S10 VanDerWaalsContact O-OG 3.08Å; S10-Y49 PolarHBondContact O-N 2.95Å
11D79.3Confident76.4Confident100 Ų10093.2 Ų93.254%0.53548%0.48SS..THydrogen-bonded Turntrans-96.91.2-177.5-55.4-20.7000111.7Y9 Y49Y9-D11 VanDerWaalsContact C-N 3.27Å; Y9-D11 PolarHBondContact O-N 2.81Å; D11-Y49 WeakPolarHBondContact O-CD2 3.38Å
12Q87.5Confident78.4Confident121 Ų12182.2 Ų82.257%0.56543%0.426SS*.SBendtrans-80.8140.2172-68.9-61.9-26.300110.2Y9 P14Y9-Q12 PolarHBondContact O-N 3.4Å; Q12-P14 VanDerWaalsContact O-CD 3.25Å; Q12-P14 WeakPolarHBondContact O-CD 2.86Å; Q12-P14 VanDerWaalsContact O-N 3.15Å
13K90.9Very high79.8Confident121 Ų12176 Ų7653%0.52639%0.386SS..PPolyproline II helixtrans-58119.8176.7-177.1173.8177.1-177.90109.9Y49K13-Y49 HydrophobicContact CB-CD1 4.15Å; K13-Y49 HydrophobicContact CB-CD2 4.38Å; K13-Y49 HydrophobicContact CB-CE1 3.71Å; K13-Y49 HydrophobicContact CB-CE2 3.95Å; K13-Y49 HydrophobicContact CB-CG 4.46Å; K13-Y49 HydrophobicContact CD-CE1 4.08Å; K13-Y49 HydrophobicContact CG-CD1 4.14Å; K13-Y49 HydrophobicContact CG-CE1 3.57Å
14P91.7Very high81.6Confident17 Ų1765.8 Ų65.811%0.1135%0.348CS..PPolyproline II helixtrans-59.6147.5179-24.433.9000111.7Q12 Y16 F47 Y50Q12-P14 VanDerWaalsContact O-CD 3.25Å; Q12-P14 WeakPolarHBondContact O-CD 2.86Å; Q12-P14 VanDerWaalsContact O-N 3.15Å; P14-Y16 HydrophobicContact CB-CD2 3.67Å; P14-Y16 HydrophobicContact CB-CE2 4.29Å; P14-Y16 PolarHBondContact O-N 3.49Å; P14-F47 HydrophobicContact CB-CD1 3.91Å; P14-F47 HydrophobicContact CB-CE1 4.08Å; P14-F47 HydrophobicContact CB-CG 4.49Å; P14-F47 HydrophobicContact CG-CB 3.91Å; P14-F47 HydrophobicContact CG-CD1 3.43Å; P14-F47 VanDerWaalsContact CG-CD1 3.43Å; P14-F47 HydrophobicContact CG-CE1 4.12Å; P14-F47 HydrophobicContact CG-CG 3.78Å; P14-Y50 HydrophobicContact CG-CE2 4.04Å
15P90.8Very high83.2Confident97 Ų9762.4 Ų62.463%0.6333%0.326SS*.SBendtrans-76.638179.534.2-37.3000112.8
16Y92.9Very high85Confident74 Ų7460 Ų6029%0.2930%0.301SS..  trans-115.3139-178.6-59.9-59.1000110.8P14 L21 M24 F47 F102P14-Y16 HydrophobicContact CB-CD2 3.67Å; P14-Y16 HydrophobicContact CB-CE2 4.29Å; P14-Y16 PolarHBondContact O-N 3.49Å; Y16-L21 HydrophobicContact CD2-CD2 4.39Å; Y16-L21 HydrophobicContact CG-CD2 4.49Å; Y16-M24 HydrophobicContact CD1-CE 4.2Å; Y16-M24 HydrophobicContact CD2-CE 4Å; Y16-M24 HydrophobicContact CE2-CE 4.41Å; Y16-M24 HydrophobicContact CG-CE 3.9Å; Y16-F47 AromaticContact CD2-CE1 3.89Å; Y16-F47 HydrophobicContact CD2-CE1 3.89Å; Y16-F47 HydrophobicContact CD2-CE2 4.45Å; Y16-F47 AromaticContact CD2-CZ 3.65Å; Y16-F47 HydrophobicContact CD2-CZ 3.65Å; Y16-F47 AromaticContact CE2-CE1 3.73Å; Y16-F47 HydrophobicContact CE2-CE1 3.73Å; Y16-F47 AromaticContact CE2-CZ 3.66Å; Y16-F47 HydrophobicContact CE2-CZ 3.66Å; Y16-F102 HydrophobicContact CD1-CB 3.86Å; Y16-F102 HydrophobicContact CE1-CB 3.77Å
17S94.5Very high86.7Confident35 Ų3553 Ų5325%0.24527%0.271CS..  trans-76.2160.2170.875.90000110.5I19 S20 L21S17-I19 PolarHBondContact O-N 3.45Å; S17-I19 PolarHBondContact OG-N 3.29Å; S17-S20 WeakPolarHBondContact O-CA 3.37Å; S17-S20 WeakPolarHBondContact O-CB 3.3Å; S17-S20 PolarHBondContact O-N 3.3Å; S17-S20 PolarHBondContact OG-N 3.08Å; S17-S20 VanDerWaalsContact OG-N 3.1Å; S17-S20 PolarHBondContact OG-OG 3.09Å; S17-L21 WeakPolarHBondContact O-CG 3.09Å; S17-L21 PolarHBondContact O-N 3.06Å
18Y96.3Very high88.6Confident50 Ų5051.3 Ų51.320%0.19626%0.262CS..Hα-helixtrans-59.3-30.7173.5-64.5-58.5000112.7L21 T22 Y50 W57Y18-L21 HydrophobicContact CD1-CD1 4.02Å; Y18-T22 WeakPolarHBondContact O-CB 3.37Å; Y18-T22 PolarHBondContact O-N 2.64Å; Y18-T22 PolarHBondContact O-OG1 3.49Å; Y18-Y50 HydrophobicContact CE1-CE1 4.06Å; Y18-W57 HydrophobicContact CE1-CB 4.13Å; Y18-W57 WeakPolarHBondContact OH-CB 3.33Å
19I94.7Very high90.4Very high32 Ų3249.4 Ų49.416%0.16425%0.249CC..Hα-helixtrans-62.2-50.4172.6-57.3172.9000109.4S17 L21 T22 A23 N68 F71 F97S17-I19 PolarHBondContact O-N 3.45Å; S17-I19 PolarHBondContact OG-N 3.29Å; I19-L21 PolarHBondContact O-N 3.23Å; I19-T22 PolarHBondContact O-N 3.14Å; I19-A23 WeakPolarHBondContact O-CB 3.29Å; I19-A23 PolarHBondContact O-N 2.83Å; I19-N68 WeakPolarHBondContact CD1-OD1 3.37Å; I19-F71 HydrophobicContact CB-CE2 4.35Å; I19-F71 HydrophobicContact CB-CZ 4.36Å; I19-F71 HydrophobicContact CG1-CE2 4.33Å; I19-F71 HydrophobicContact CG2-CE2 4.03Å; I19-F71 HydrophobicContact CG2-CZ 3.85Å; I19-F97 HydrophobicContact CG2-CZ 3.85Å
20S94.5Very high92.1Very high4 Ų449 Ų493%0.02826%0.262CS..Hα-helixtrans-60.7-43.7178.5-46.60000112.3S17 T22 A23 M24 F102S17-S20 WeakPolarHBondContact O-CA 3.37Å; S17-S20 WeakPolarHBondContact O-CB 3.3Å; S17-S20 PolarHBondContact O-N 3.3Å; S17-S20 PolarHBondContact OG-N 3.08Å; S17-S20 VanDerWaalsContact OG-N 3.1Å; S17-S20 PolarHBondContact OG-OG 3.09Å; S20-T22 VanDerWaalsContact C-N 3.35Å; S20-T22 PolarHBondContact O-N 3.37Å; S20-A23 PolarHBondContact O-N 3.39Å; S20-M24 WeakPolarHBondContact O-CG 3.27Å; S20-M24 PolarHBondContact O-N 2.97Å; S20-F102 WeakPolarHBondContact CB-O 3.46Å; S20-F102 PolarHBondContact OG-O 3.12Å
21L96Very high93.4Very high1 Ų152.6 Ų52.61%0.00527%0.273CS..Hα-helixtrans-60.7-44.8177.9-70172.2000111.7Y16 S17 Y18 I19 M24 A25 I43 F47 Y50Y16-L21 HydrophobicContact CD2-CD2 4.39Å; Y16-L21 HydrophobicContact CG-CD2 4.49Å; S17-L21 WeakPolarHBondContact O-CG 3.09Å; S17-L21 PolarHBondContact O-N 3.06Å; Y18-L21 HydrophobicContact CD1-CD1 4.02Å; I19-L21 PolarHBondContact O-N 3.23Å; L21-M24 HydrophobicContact CD2-CE 3.78Å; L21-M24 HydrophobicContact CG-CE 4.5Å; L21-M24 PolarHBondContact O-N 3.44Å; L21-A25 PolarHBondContact O-N 3Å; L21-A25 VanDerWaalsContact O-N 3.13Å; L21-I43 HydrophobicContact CB-CD1 3.86Å; L21-I43 HydrophobicContact CB-CG1 4.18Å; L21-I43 HydrophobicContact CD1-CG2 4.45Å; L21-F47 HydrophobicContact CD2-CD2 3.64Å; L21-F47 HydrophobicContact CD2-CE2 3.35Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; L21-Y50 HydrophobicContact CD1-CE2 3.8Å
22T96.8Very high94.2Very high0 Ų053.7 Ų53.70%027%0.272CS..Hα-helixtrans-67-43.3178.7-54.60000111.1Y18 I19 S20 M24 A25 I26 I39 L65 F71Y18-T22 WeakPolarHBondContact O-CB 3.37Å; Y18-T22 PolarHBondContact O-N 2.64Å; Y18-T22 PolarHBondContact O-OG1 3.49Å; I19-T22 PolarHBondContact O-N 3.14Å; S20-T22 VanDerWaalsContact C-N 3.35Å; S20-T22 PolarHBondContact O-N 3.37Å; T22-M24 PolarHBondContact O-N 2.87Å; T22-A25 WeakPolarHBondContact O-CB 3.47Å; T22-A25 PolarHBondContact O-N 3.33Å; T22-I26 HydrophobicContact CG2-CD1 3.89Å; T22-I26 WeakPolarHBondContact O-CG1 3.27Å; T22-I26 PolarHBondContact O-N 3.41Å; T22-I39 HydrophobicContact CG2-CD1 4.19Å; T22-I39 HydrophobicContact CG2-CG2 4.37Å; T22-L65 HydrophobicContact CG2-CD2 3.66Å; T22-F71 HydrophobicContact CG2-CD1 3.85Å; T22-F71 HydrophobicContact CG2-CE1 3.33Å; T22-F71 HydrophobicContact CG2-CE2 4.3Å; T22-F71 HydrophobicContact CG2-CZ 3.6Å
23A95.1Very high94.6Very high0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-60.1-45.2176.600000111.8I19 S20 A25 I26 Q27 L89 F97I19-A23 WeakPolarHBondContact O-CB 3.29Å; I19-A23 PolarHBondContact O-N 2.83Å; S20-A23 PolarHBondContact O-N 3.39Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 3.29Å; A23-I26 PolarHBondContact O-N 3.13Å; A23-Q27 WeakPolarHBondContact O-CB 3.44Å; A23-Q27 VanDerWaalsContact O-CG 3.29Å; A23-Q27 WeakPolarHBondContact O-CG 3.24Å; A23-Q27 PolarHBondContact O-N 2.91Å; A23-L89 HydrophobicContact CB-CD1 4.21Å; A23-L89 HydrophobicContact CB-CD2 4.05Å; A23-F97 HydrophobicContact CB-CD1 3.82Å; A23-F97 HydrophobicContact CB-CD2 3.99Å; A23-F97 HydrophobicContact CB-CE1 3.91Å; A23-F97 HydrophobicContact CB-CE2 4.08Å; A23-F97 HydrophobicContact CB-CG 3.86Å; A23-F97 HydrophobicContact CB-CZ 4.04Å
24M95.5Very high94.9Very high17 Ų1746 Ų468%0.08424%0.24CC..Hα-helixtrans-58.9-42.8175.3-74.9-173.8-69.300112.2Y16 S20 L21 T22 N28 F42 F47 F102Y16-M24 HydrophobicContact CD1-CE 4.2Å; Y16-M24 HydrophobicContact CD2-CE 4Å; Y16-M24 HydrophobicContact CE2-CE 4.41Å; Y16-M24 HydrophobicContact CG-CE 3.9Å; S20-M24 WeakPolarHBondContact O-CG 3.27Å; S20-M24 PolarHBondContact O-N 2.97Å; L21-M24 HydrophobicContact CD2-CE 3.78Å; L21-M24 HydrophobicContact CG-CE 4.5Å; L21-M24 PolarHBondContact O-N 3.44Å; T22-M24 PolarHBondContact O-N 2.87Å; M24-N28 VanDerWaalsContact O-CB 3.3Å; M24-N28 WeakPolarHBondContact O-CB 3.08Å; M24-N28 PolarHBondContact O-N 3.12Å; M24-N28 VanDerWaalsContact O-N 3.07Å; M24-F42 HydrophobicContact CB-CE1 4.03Å; M24-F42 HydrophobicContact CB-CZ 4.34Å; M24-F47 HydrophobicContact CE-CE2 4.01Å; M24-F47 HydrophobicContact CE-CZ 4.01Å; M24-F102 HydrophobicContact CG-CD1 3.44Å; M24-F102 VanDerWaalsContact CG-CD1 3.44Å; M24-F102 HydrophobicContact CG-CD2 4.23Å; M24-F102 HydrophobicContact CG-CE1 3.43Å; M24-F102 VanDerWaalsContact CG-CE1 3.43Å; M24-F102 HydrophobicContact CG-CE2 4.22Å; M24-F102 HydrophobicContact CG-CG 3.86Å; M24-F102 HydrophobicContact CG-CZ 3.85Å; M24-F102 HydrophobicContact SD-CB 4.4Å; M24-F102 HydrophobicContact SD-CD1 4.19Å; M24-F102 HydrophobicContact SD-CD2 4.22Å; M24-F102 HydrophobicContact SD-CG 4Å
25A96.8Very high95.1Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-61.5-50.6177.900000111.2L21 T22 A23 Q27 N28 S29 L34 I39 F42L21-A25 PolarHBondContact O-N 3Å; L21-A25 VanDerWaalsContact O-N 3.13Å; T22-A25 WeakPolarHBondContact O-CB 3.47Å; T22-A25 PolarHBondContact O-N 3.33Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 3.29Å; A25-Q27 PolarHBondContact O-N 3Å; A25-N28 PolarHBondContact O-N 3.07Å; A25-S29 PolarHBondContact O-N 3.26Å; A25-L34 HydrophobicContact CB-CD1 4.1Å; A25-L34 VanDerWaalsContact O-CD1 3.24Å; A25-L34 WeakPolarHBondContact O-CD1 3.34Å; A25-I39 HydrophobicContact CB-CG2 4.32Å; A25-F42 HydrophobicContact CB-CB 4.04Å; A25-F42 HydrophobicContact CB-CD1 3.4Å; A25-F42 HydrophobicContact CB-CE1 3.92Å; A25-F42 HydrophobicContact CB-CG 3.73Å
26I95.8Very high95.5Very high2 Ų243.2 Ų43.21%0.0122%0.219CC..Hα-helixtrans-63.5-43.8-178.9-67.8172.1000110.8T22 A23 N28 S29 K32 F71 L89T22-I26 HydrophobicContact CG2-CD1 3.89Å; T22-I26 WeakPolarHBondContact O-CG1 3.27Å; T22-I26 PolarHBondContact O-N 3.41Å; A23-I26 PolarHBondContact O-N 3.13Å; I26-N28 VanDerWaalsContact C-N 3.29Å; I26-N28 PolarHBondContact O-N 3.23Å; I26-S29 WeakPolarHBondContact O-CB 3.35Å; I26-S29 PolarHBondContact O-N 3.05Å; I26-S29 VanDerWaalsContact O-N 3.14Å; I26-S29 PolarHBondContact O-OG 3.48Å; I26-K32 WeakPolarHBondContact CG2-O 3.45Å; I26-F71 HydrophobicContact CD1-CD1 4.07Å; I26-F71 HydrophobicContact CD1-CE1 4.2Å; I26-L89 HydrophobicContact CB-CG 4.44Å; I26-L89 HydrophobicContact CD1-CG 4.34Å; I26-L89 HydrophobicContact CG2-CD1 4.36Å; I26-L89 HydrophobicContact CG2-CG 4.1Å
27Q93.4Very high95.7Very high48 Ų4842.5 Ų42.522%0.22423%0.225CC..Hα-helixtrans-65.3-32179.1-74.9179.3-3600113.1A23 A25 S29 K32 L89 F97 F102A23-Q27 WeakPolarHBondContact O-CB 3.44Å; A23-Q27 VanDerWaalsContact O-CG 3.29Å; A23-Q27 WeakPolarHBondContact O-CG 3.24Å; A23-Q27 PolarHBondContact O-N 2.91Å; A25-Q27 PolarHBondContact O-N 3Å; Q27-S29 VanDerWaalsContact C-N 3.27Å; Q27-S29 PolarHBondContact O-N 3.4Å; Q27-K32 PolarHBondContact O-NZ 2.91Å; Q27-L89 HydrophobicContact CG-CD1 3.94Å; Q27-F97 VanDerWaalsContact NE2-CB 3.27Å; Q27-F102 VanDerWaalsContact OE1-CE1 3.26Å; Q27-F102 VanDerWaalsContact OE1-CZ 3.26Å
28N94.3Very high95.8Very high103 Ų10343.4 Ų43.455%0.55123%0.227SC*.Hα-helixtrans-75.1-14.7176.6-168.281.5000113.1M24 A25 I26 F42M24-N28 VanDerWaalsContact O-CB 3.3Å; M24-N28 WeakPolarHBondContact O-CB 3.08Å; M24-N28 PolarHBondContact O-N 3.12Å; M24-N28 VanDerWaalsContact O-N 3.07Å; A25-N28 PolarHBondContact O-N 3.07Å; I26-N28 VanDerWaalsContact C-N 3.29Å; I26-N28 PolarHBondContact O-N 3.23Å; N28-F42 HydrophobicContact CB-CE2 3.71Å; N28-F42 HydrophobicContact CB-CZ 4.13Å
29S95.2Very high95.9Very high17 Ų1741 Ų4112%0.11922%0.218CC..SBendtrans-77.7146.8171.775.20000111.3A25 I26 Q27 K32 M33A25-S29 PolarHBondContact O-N 3.26Å; I26-S29 WeakPolarHBondContact O-CB 3.35Å; I26-S29 PolarHBondContact O-N 3.05Å; I26-S29 VanDerWaalsContact O-N 3.14Å; I26-S29 PolarHBondContact O-OG 3.48Å; Q27-S29 VanDerWaalsContact C-N 3.27Å; Q27-S29 PolarHBondContact O-N 3.4Å; S29-K32 WeakPolarHBondContact OG-CA 3.38Å; S29-K32 PolarHBondContact OG-N 3.46Å; S29-K32 VanDerWaalsContact OG-N 3.16Å; S29-M33 PolarHBondContact OG-N 3.34Å; S29-M33 PolarHBondContact OG-O 3.23Å
30T95.4Very high96.1Very high137 Ų13740.7 Ų40.784%0.8422%0.215SC*.THydrogen-bonded Turntrans-66.7-39.6176.246.10000111.7K32T30-K32 VanDerWaalsContact C-N 3.28Å; T30-K32 PolarHBondContact O-N 3.46Å
31E94.5Very high96.2Very high129 Ų12945.7 Ų45.760%0.60324%0.236SC*.THydrogen-bonded Turntrans-82.8-1.2-177.1-60-176.3171.800113.8M33E31-M33 HydrophobicContact CB-CG 4.03Å; E31-M33 PolarHBondContact O-N 3.42Å
32K95.1Very high96.3Very high122 Ų12246.9 Ų46.953%0.5324%0.241SC..SBendtrans52.827.4-174.9-54-61.3175.9-177.90113.3I26 Q27 S29 T30I26-K32 WeakPolarHBondContact CG2-O 3.45Å; Q27-K32 PolarHBondContact O-NZ 2.91Å; S29-K32 WeakPolarHBondContact OG-CA 3.38Å; S29-K32 PolarHBondContact OG-N 3.46Å; S29-K32 VanDerWaalsContact OG-N 3.16Å; T30-K32 VanDerWaalsContact C-N 3.28Å; T30-K32 PolarHBondContact O-N 3.46Å
33M95.8Very high96.3Very high54 Ų5446.9 Ų46.927%0.26624%0.241SC..EExtended strand (participates in β ladder)trans-151147173.668.6-177.778.900110S29 E31 I74 F86 W87 A88S29-M33 PolarHBondContact OG-N 3.34Å; S29-M33 PolarHBondContact OG-O 3.23Å; E31-M33 HydrophobicContact CB-CG 4.03Å; E31-M33 PolarHBondContact O-N 3.42Å; M33-I74 HydrophobicContact CE-CD1 4.03Å; M33-I74 HydrophobicContact SD-CD1 4.12Å; M33-F86 HydrophobicContact CB-CB 4.41Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.2Å; M33-F86 HydrophobicContact CG-CG 4.42Å; M33-F86 HydrophobicContact SD-CB 4.1Å; M33-F86 HydrophobicContact SD-CD1 4.44Å; M33-F86 HydrophobicContact SD-CG 4.15Å; M33-W87 CarbonylContact C-O 3.6Å; M33-W87 VanDerWaalsContact CA-O 3.27Å; M33-W87 WeakPolarHBondContact CA-O 3.4Å; M33-A88 HydrophobicContact CB-CB 3.95Å
34L97.4Very high96.4Very high28 Ų2849 Ų4915%0.14725%0.251CS..EExtended strand (participates in β ladder)trans-142.2147.6178.9-74.6176.2000111.4A25 D38 I39 W87A25-L34 HydrophobicContact CB-CD1 4.1Å; A25-L34 VanDerWaalsContact O-CD1 3.24Å; A25-L34 WeakPolarHBondContact O-CD1 3.34Å; L34-D38 HydrophobicContact CD2-CB 4.22Å; L34-I39 HydrophobicContact CB-CG1 3.97Å; L34-I39 HydrophobicContact CD1-CG1 4.47Å; L34-W87 PolarHBondContact N-O 3.07Å; L34-W87 PolarHBondContact O-N 3.11Å
35P97.3Very high96.4Very high10 Ų1053.6 Ų53.67%0.06528%0.276CS..EExtended strand (participates in β ladder)trans-72157.1166.733.5-35000110.5S37 D38 I39 F86P35-S37 PolarHBondContact O-N 2.85Å; P35-S37 VanDerWaalsContact O-N 3.12Å; P35-D38 WeakPolarHBondContact CD-OD2 3.48Å; P35-D38 HydrophobicContact CG-CB 4.08Å; P35-D38 WeakPolarHBondContact CG-OD2 3.4Å; P35-D38 PolarHBondContact O-N 2.86Å; P35-I39 PolarHBondContact O-N 3.18Å; P35-F86 HydrophobicContact CB-CD1 4.48Å
36L97.4Very high96.3Very high45 Ų4560 Ų6024%0.23630%0.301CS..Hα-helixtrans-53.3-36.9-179.5-179.959.4000113.6D38 I39 Y40 L61 R62 L65L36-D38 VanDerWaalsContact C-N 3.29Å; L36-D38 PolarHBondContact O-N 3.45Å; L36-I39 PolarHBondContact O-N 3.07Å; L36-Y40 HydrophobicContact CD1-CD1 4.3Å; L36-Y40 HydrophobicContact CD1-CE1 3.52Å; L36-Y40 HydrophobicContact CD1-CE2 4.18Å; L36-Y40 VanDerWaalsContact CD1-CZ 3.45Å; L36-Y40 WeakPolarHBondContact CD1-OH 3.4Å; L36-Y40 HydrophobicContact CD2-CE2 4.29Å; L36-Y40 WeakPolarHBondContact CD2-OH 3.36Å; L36-Y40 HydrophobicContact CG-CE1 4.04Å; L36-Y40 HydrophobicContact CG-CE2 3.74Å; L36-Y40 VanDerWaalsContact CG-CZ 3.46Å; L36-Y40 WeakPolarHBondContact CG-OH 3.38Å; L36-Y40 WeakPolarHBondContact O-CD2 3.36Å; L36-Y40 PolarHBondContact O-N 3.08Å; L36-L61 HydrophobicContact CD1-CD2 3.84Å; L36-R62 HydrophobicContact CD1-CG 4.31Å; L36-R62 HydrophobicContact CD2-CG 3.9Å; L36-L65 HydrophobicContact CD1-CD1 3.52Å
37S97.5Very high96.3Very high59 Ų5961.3 Ų61.341%0.41331%0.306SS..Hα-helixtrans-59.7-39.2178.150.10000112.8P35 Y40 K41P35-S37 PolarHBondContact O-N 2.85Å; P35-S37 VanDerWaalsContact O-N 3.12Å; S37-Y40 PolarHBondContact O-N 3.47Å; S37-K41 WeakPolarHBondContact O-CG 3.49Å; S37-K41 PolarHBondContact O-N 3.35Å
38D97.8Very high96.3Very high53 Ų5360.9 Ų60.928%0.28331%0.308SS..Hα-helixtrans-84.4-27.1-174-62.2-20.2000111.4L34 P35 L36 Y40 K41 F42L34-D38 HydrophobicContact CD2-CB 4.22Å; P35-D38 WeakPolarHBondContact CD-OD2 3.48Å; P35-D38 HydrophobicContact CG-CB 4.08Å; P35-D38 WeakPolarHBondContact CG-OD2 3.4Å; P35-D38 PolarHBondContact O-N 2.86Å; L36-D38 VanDerWaalsContact C-N 3.29Å; L36-D38 PolarHBondContact O-N 3.45Å; D38-Y40 VanDerWaalsContact C-N 3.29Å; D38-Y40 PolarHBondContact O-N 2.9Å; D38-K41 PolarHBondContact O-N 2.89Å; D38-K41 IonicContact OD1-NZ 2.91Å; D38-K41 PolarHBondContact OD1-NZ 3Å; D38-F42 WeakPolarHBondContact O-CB 3.37Å; D38-F42 PolarHBondContact O-N 2.96Å
39I98.1Very high96.3Very high0 Ų060.4 Ų60.40%030%0.299CS..Hα-helixtrans-59.9-42.6167-59168.3000110T22 A25 L34 P35 L36 I43 L61 W87T22-I39 HydrophobicContact CG2-CD1 4.19Å; T22-I39 HydrophobicContact CG2-CG2 4.37Å; A25-I39 HydrophobicContact CB-CG2 4.32Å; L34-I39 HydrophobicContact CB-CG1 3.97Å; L34-I39 HydrophobicContact CD1-CG1 4.47Å; P35-I39 PolarHBondContact O-N 3.18Å; L36-I39 PolarHBondContact O-N 3.07Å; I39-I43 HydrophobicContact CG2-CD1 3.97Å; I39-I43 VanDerWaalsContact O-CG1 3.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.34Å; I39-I43 PolarHBondContact O-N 2.91Å; I39-L61 HydrophobicContact CG2-CD1 4.11Å; I39-L61 HydrophobicContact CG2-CD2 4.14Å; I39-W87 HydrophobicContact CD1-CB 4.2Å
40Y97.9Very high96.3Very high26 Ų2659.7 Ų59.710%0.10229%0.293CS..Hα-helixtrans-62.6-47.4176.4-59.4-31.9000112.3L36 S37 D38 I43 M44 W57 Q58 L61 R62L36-Y40 HydrophobicContact CD1-CD1 4.3Å; L36-Y40 HydrophobicContact CD1-CE1 3.52Å; L36-Y40 HydrophobicContact CD1-CE2 4.18Å; L36-Y40 VanDerWaalsContact CD1-CZ 3.45Å; L36-Y40 WeakPolarHBondContact CD1-OH 3.4Å; L36-Y40 HydrophobicContact CD2-CE2 4.29Å; L36-Y40 WeakPolarHBondContact CD2-OH 3.36Å; L36-Y40 HydrophobicContact CG-CE1 4.04Å; L36-Y40 HydrophobicContact CG-CE2 3.74Å; L36-Y40 VanDerWaalsContact CG-CZ 3.46Å; L36-Y40 WeakPolarHBondContact CG-OH 3.38Å; L36-Y40 WeakPolarHBondContact O-CD2 3.36Å; L36-Y40 PolarHBondContact O-N 3.08Å; S37-Y40 PolarHBondContact O-N 3.47Å; D38-Y40 VanDerWaalsContact C-N 3.29Å; D38-Y40 PolarHBondContact O-N 2.9Å; Y40-I43 PolarHBondContact O-N 3.5Å; Y40-M44 WeakPolarHBondContact O-CG 2.92Å; Y40-M44 PolarHBondContact O-N 3.36Å; Y40-W57 AromaticContact CD1-CH2 3.87Å; Y40-W57 HydrophobicContact CD1-CH2 3.87Å; Y40-W57 AromaticContact CD1-CZ3 3.83Å; Y40-W57 HydrophobicContact CD1-CZ3 3.83Å; Y40-W57 HydrophobicContact CE1-CZ3 4.41Å; Y40-W57 HydrophobicContact CG-CH2 4.3Å; Y40-Q58 HydrophobicContact CD1-CG 3.81Å; Y40-Q58 HydrophobicContact CD2-CG 4.5Å; Y40-Q58 HydrophobicContact CE1-CB 3.85Å; Y40-Q58 HydrophobicContact CE1-CG 3.64Å; Y40-Q58 HydrophobicContact CE2-CG 4.36Å; Y40-Q58 HydrophobicContact CG-CG 4.23Å; Y40-L61 HydrophobicContact CD1-CD2 4.46Å; Y40-L61 HydrophobicContact CE1-CD2 3.99Å; Y40-R62 WeakPolarHBondContact OH-CD 3.11Å; Y40-R62 VanDerWaalsContact OH-CG 3.27Å; Y40-R62 WeakPolarHBondContact OH-CG 3.35Å; Y40-R62 PolarHBondContact OH-NH1 2.92Å
41K97.9Very high96.3Very high108 Ų10859.8 Ų59.847%0.4728%0.278SS..Hα-helixtrans-58.8-51.8179.1-68.3171.9-170.3160.80110.9S37 D38 I43 M44 D45S37-K41 WeakPolarHBondContact O-CG 3.49Å; S37-K41 PolarHBondContact O-N 3.35Å; D38-K41 PolarHBondContact O-N 2.89Å; D38-K41 IonicContact OD1-NZ 2.91Å; D38-K41 PolarHBondContact OD1-NZ 3Å; K41-I43 VanDerWaalsContact C-N 3.26Å; K41-I43 PolarHBondContact O-N 3.02Å; K41-M44 PolarHBondContact O-N 3.31Å; K41-M44 VanDerWaalsContact O-N 3.07Å; K41-D45 WeakPolarHBondContact O-CB 3.39Å; K41-D45 PolarHBondContact O-N 2.97Å
42F97.8Very high96.2Very high27 Ų2760.4 Ų60.412%0.11828%0.281CS..Hα-helixtrans-52.7-43.9179178.2-90.5000112.7M24 A25 N28 D38 R46M24-F42 HydrophobicContact CB-CE1 4.03Å; M24-F42 HydrophobicContact CB-CZ 4.34Å; A25-F42 HydrophobicContact CB-CB 4.04Å; A25-F42 HydrophobicContact CB-CD1 3.4Å; A25-F42 HydrophobicContact CB-CE1 3.92Å; A25-F42 HydrophobicContact CB-CG 3.73Å; N28-F42 HydrophobicContact CB-CE2 3.71Å; N28-F42 HydrophobicContact CB-CZ 4.13Å; D38-F42 WeakPolarHBondContact O-CB 3.37Å; D38-F42 PolarHBondContact O-N 2.96Å; F42-R46 WeakPolarHBondContact O-CB 3.42Å; F42-R46 PolarHBondContact O-N 3Å; F42-R46 VanDerWaalsContact O-N 3.08Å
43I97.2Very high96Very high0 Ų060.9 Ų60.90%029%0.29CS..Hα-helixtrans-68.1-45.4179.8-66.2169.4000111L21 I39 Y40 K41 D45 F47 Y50 W57 L61L21-I43 HydrophobicContact CB-CD1 3.86Å; L21-I43 HydrophobicContact CB-CG1 4.18Å; L21-I43 HydrophobicContact CD1-CG2 4.45Å; I39-I43 HydrophobicContact CG2-CD1 3.97Å; I39-I43 VanDerWaalsContact O-CG1 3.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.34Å; I39-I43 PolarHBondContact O-N 2.91Å; Y40-I43 PolarHBondContact O-N 3.5Å; K41-I43 VanDerWaalsContact C-N 3.26Å; K41-I43 PolarHBondContact O-N 3.02Å; I43-D45 VanDerWaalsContact C-N 3.32Å; I43-D45 PolarHBondContact O-N 3.24Å; I43-F47 HydrophobicContact CG2-CD2 4.47Å; I43-F47 WeakPolarHBondContact O-CA 3.43Å; I43-F47 WeakPolarHBondContact O-CB 3.29Å; I43-F47 PolarHBondContact O-N 2.82Å; I43-Y50 HydrophobicContact CG2-CD2 3.44Å; I43-Y50 VanDerWaalsContact CG2-CD2 3.44Å; I43-Y50 HydrophobicContact CG2-CE2 4.09Å; I43-Y50 HydrophobicContact CG2-CG 3.72Å; I43-W57 HydrophobicContact CB-CH2 4.5Å; I43-W57 HydrophobicContact CD1-CZ3 4.26Å; I43-W57 HydrophobicContact CG2-CH2 4.43Å; I43-W57 HydrophobicContact CG2-CZ3 4.43Å; I43-L61 HydrophobicContact CD1-CD1 3.34Å
44M96.3Very high95.9Very high43 Ų4360.4 Ų60.421%0.21229%0.29CS..Hα-helixtrans-67.2-32.7179.6-69.5-175.1-60.900112.8Y40 K41 R51 T54 W57Y40-M44 WeakPolarHBondContact O-CG 2.92Å; Y40-M44 PolarHBondContact O-N 3.36Å; K41-M44 PolarHBondContact O-N 3.31Å; K41-M44 VanDerWaalsContact O-N 3.07Å; M44-R51 HydrophobicContact CB-CG 4.15Å; M44-R51 PolarHBondContact O-NE 3.48Å; M44-R51 PolarHBondContact O-NH2 2.96Å; M44-T54 HydrophobicContact SD-CG2 4.2Å; M44-W57 HydrophobicContact CG-CH2 4.27Å; M44-W57 HydrophobicContact CG-CZ2 3.81Å; M44-W57 HydrophobicContact SD-CZ2 4.11Å
45D96.1Very high95.8Very high115 Ų11565.5 Ų65.562%0.61531%0.313SS*.Hα-helixtrans-71.9-46.2179.2-66.3-18.5000110.5K41 I43K41-D45 WeakPolarHBondContact O-CB 3.39Å; K41-D45 PolarHBondContact O-N 2.97Å; I43-D45 VanDerWaalsContact C-N 3.32Å; I43-D45 PolarHBondContact O-N 3.24Å
46R95.1Very high95.8Very high135 Ų13574.7 Ų74.751%0.50935%0.346SS..Hα-helixtrans-80.1-32.2-177.5-172.6172.5-76.4-125.51.1113.7F42F42-R46 WeakPolarHBondContact O-CB 3.42Å; F42-R46 PolarHBondContact O-N 3Å; F42-R46 VanDerWaalsContact O-N 3.08Å
47F94.6Very high95.7Very high29 Ų2973.1 Ų73.113%0.12734%0.337CS..  trans-127.893.6-174.4-58.7-68.2000110.7P14 Y16 L21 M24 I43 Y49 Y50P14-F47 HydrophobicContact CB-CD1 3.91Å; P14-F47 HydrophobicContact CB-CE1 4.08Å; P14-F47 HydrophobicContact CB-CG 4.49Å; P14-F47 HydrophobicContact CG-CB 3.91Å; P14-F47 HydrophobicContact CG-CD1 3.43Å; P14-F47 VanDerWaalsContact CG-CD1 3.43Å; P14-F47 HydrophobicContact CG-CE1 4.12Å; P14-F47 HydrophobicContact CG-CG 3.78Å; Y16-F47 AromaticContact CD2-CE1 3.89Å; Y16-F47 HydrophobicContact CD2-CE1 3.89Å; Y16-F47 HydrophobicContact CD2-CE2 4.45Å; Y16-F47 AromaticContact CD2-CZ 3.65Å; Y16-F47 HydrophobicContact CD2-CZ 3.65Å; Y16-F47 AromaticContact CE2-CE1 3.73Å; Y16-F47 HydrophobicContact CE2-CE1 3.73Å; Y16-F47 AromaticContact CE2-CZ 3.66Å; Y16-F47 HydrophobicContact CE2-CZ 3.66Å; L21-F47 HydrophobicContact CD2-CD2 3.64Å; L21-F47 HydrophobicContact CD2-CE2 3.35Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; M24-F47 HydrophobicContact CE-CE2 4.01Å; M24-F47 HydrophobicContact CE-CZ 4.01Å; I43-F47 HydrophobicContact CG2-CD2 4.47Å; I43-F47 WeakPolarHBondContact O-CA 3.43Å; I43-F47 WeakPolarHBondContact O-CB 3.29Å; I43-F47 PolarHBondContact O-N 2.82Å; F47-Y49 PolarHBondContact O-N 3.07Å; F47-Y49 VanDerWaalsContact O-N 3.07Å; F47-Y50 HydrophobicContact CB-CD2 3.75Å; F47-Y50 HydrophobicContact CB-CE2 4.23Å; F47-Y50 PolarHBondContact O-N 3.33Å
48P93.8Very high95.7Very high39 Ų3971.6 Ų71.625%0.25332%0.323SS..G310 helixtrans-53.4-32.1-176.7-29.436.6000114.6Y50 R51P48-Y50 PolarHBondContact O-N 2.96Å; P48-R51 WeakPolarHBondContact O-CB 3.48Å; P48-R51 WeakPolarHBondContact O-CG 3.38Å; P48-R51 PolarHBondContact O-N 2.84Å
49Y94.4Very high95.7Very high92 Ų9273.7 Ų73.736%0.36134%0.335SS..G310 helixtrans-44.5-33.9172.3176.2-103.7000114.9S10 D11 K13 F47S10-Y49 PolarHBondContact O-N 2.95Å; D11-Y49 WeakPolarHBondContact O-CD2 3.38Å; K13-Y49 HydrophobicContact CB-CD1 4.15Å; K13-Y49 HydrophobicContact CB-CD2 4.38Å; K13-Y49 HydrophobicContact CB-CE1 3.71Å; K13-Y49 HydrophobicContact CB-CE2 3.95Å; K13-Y49 HydrophobicContact CB-CG 4.46Å; K13-Y49 HydrophobicContact CD-CE1 4.08Å; K13-Y49 HydrophobicContact CG-CD1 4.14Å; K13-Y49 HydrophobicContact CG-CE1 3.57Å; F47-Y49 PolarHBondContact O-N 3.07Å; F47-Y49 VanDerWaalsContact O-N 3.07Å
50Y95.9Very high95.7Very high3 Ų375.6 Ų75.61%0.01235%0.348CS..G310 helixtrans-901.8-176.6-68-72000114.6P14 Y18 L21 I43 F47 P48 E52 W57P14-Y50 HydrophobicContact CG-CE2 4.04Å; Y18-Y50 HydrophobicContact CE1-CE1 4.06Å; L21-Y50 HydrophobicContact CD1-CE2 3.8Å; I43-Y50 HydrophobicContact CG2-CD2 3.44Å; I43-Y50 VanDerWaalsContact CG2-CD2 3.44Å; I43-Y50 HydrophobicContact CG2-CE2 4.09Å; I43-Y50 HydrophobicContact CG2-CG 3.72Å; F47-Y50 HydrophobicContact CB-CD2 3.75Å; F47-Y50 HydrophobicContact CB-CE2 4.23Å; F47-Y50 PolarHBondContact O-N 3.33Å; P48-Y50 PolarHBondContact O-N 2.96Å; Y50-E52 VanDerWaalsContact C-N 3.29Å; Y50-W57 HydrophobicContact CD1-CB 4.09Å; Y50-W57 AromaticContact CD1-CD1 3.86Å; Y50-W57 AromaticContact CD1-CD2 3.84Å; Y50-W57 HydrophobicContact CD1-CD2 3.84Å; Y50-W57 HydrophobicContact CD1-CE3 4.37Å; Y50-W57 AromaticContact CD1-CG 3.69Å; Y50-W57 HydrophobicContact CD1-CG 3.69Å; Y50-W57 HydrophobicContact CE1-CB 4.25Å; Y50-W57 HydrophobicContact CE1-CG 4.33Å; Y50-W57 HydrophobicContact CG-CD2 4.48Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.39Å; Y50-W57 PolarHBondContact O-NE1 3.22Å
51R95.1Very high95.7Very high139 Ų13974.4 Ų74.453%0.52534%0.343SS..SBendtrans-71.6-28177.2-66.1176.2-173.3172.61.7112.3M44 P48 T54M44-R51 HydrophobicContact CB-CG 4.15Å; M44-R51 PolarHBondContact O-NE 3.48Å; M44-R51 PolarHBondContact O-NH2 2.96Å; P48-R51 WeakPolarHBondContact O-CB 3.48Å; P48-R51 WeakPolarHBondContact O-CG 3.38Å; P48-R51 PolarHBondContact O-N 2.84Å; R51-T54 WeakPolarHBondContact O-CG2 3.46Å
52E91.7Very high95.7Very high142 Ų14273.2 Ų73.266%0.66434%0.336SS*.SBendtrans-93.2160.5176.6-61.1-176.4-177.500111.7Y50 T54Y50-E52 VanDerWaalsContact C-N 3.29Å; E52-T54 PolarHBondContact O-N 3.49Å; E52-T54 VanDerWaalsContact O-N 3.11Å
53N90.8Very high95.7Very high132 Ų13277.1 Ų77.171%0.70635%0.354SS*.SBendtrans52.438.4173.6-62.8-63.9000113.9Q55 R56N53-Q55 VanDerWaalsContact C-N 3.27Å; N53-Q55 PolarHBondContact O-N 3.49Å; N53-Q55 VanDerWaalsContact O-N 3.13Å; N53-R56 PolarHBondContact O-N 3.39Å
54T93.3Very high95.7Very high44 Ų4478.3 Ų78.327%0.2736%0.361SS..Hα-helixtrans-54.6-39.1-166.954.40000114M44 R51 E52 R56 Q58M44-T54 HydrophobicContact SD-CG2 4.2Å; R51-T54 WeakPolarHBondContact O-CG2 3.46Å; E52-T54 PolarHBondContact O-N 3.49Å; E52-T54 VanDerWaalsContact O-N 3.11Å; T54-R56 PolarHBondContact O-N 2.89Å; T54-Q58 WeakPolarHBondContact O-CB 3.36Å; T54-Q58 WeakPolarHBondContact O-CG 3.47Å; T54-Q58 PolarHBondContact O-N 3.31Å
55Q96.4Very high95.7Very high134 Ų13476.4 Ų76.463%0.62635%0.351SS*.Hα-helixtrans-58-42.6-177.3-66-61-22.200113.6N53 N59N53-Q55 VanDerWaalsContact C-N 3.27Å; N53-Q55 PolarHBondContact O-N 3.49Å; N53-Q55 VanDerWaalsContact O-N 3.13Å; Q55-N59 WeakPolarHBondContact O-CB 3.36Å; Q55-N59 PolarHBondContact O-N 3Å
56R95.9Very high95.7Very high203 Ų20375.7 Ų75.777%0.76636%0.355SS*.Hα-helixtrans-68.2-50-173.3179.2-177.5-73.5-86.83.1111.8N53 T54 S60N53-R56 PolarHBondContact O-N 3.39Å; T54-R56 PolarHBondContact O-N 2.89Å; R56-S60 PolarHBondContact O-N 3.2Å; R56-S60 PolarHBondContact O-OG 2.96Å; R56-S60 VanDerWaalsContact O-OG 3.12Å
57W96.6Very high95.6Very high12 Ų1274.9 Ų74.95%0.04536%0.356CS..Hα-helixtrans-76-34.1-177.372-104.7000111.4Y18 Y40 I43 M44 Y50 N59 S60 L61Y18-W57 HydrophobicContact CE1-CB 4.13Å; Y18-W57 WeakPolarHBondContact OH-CB 3.33Å; Y40-W57 AromaticContact CD1-CH2 3.87Å; Y40-W57 HydrophobicContact CD1-CH2 3.87Å; Y40-W57 AromaticContact CD1-CZ3 3.83Å; Y40-W57 HydrophobicContact CD1-CZ3 3.83Å; Y40-W57 HydrophobicContact CE1-CZ3 4.41Å; Y40-W57 HydrophobicContact CG-CH2 4.3Å; I43-W57 HydrophobicContact CB-CH2 4.5Å; I43-W57 HydrophobicContact CD1-CZ3 4.26Å; I43-W57 HydrophobicContact CG2-CH2 4.43Å; I43-W57 HydrophobicContact CG2-CZ3 4.43Å; M44-W57 HydrophobicContact CG-CH2 4.27Å; M44-W57 HydrophobicContact CG-CZ2 3.81Å; M44-W57 HydrophobicContact SD-CZ2 4.11Å; Y50-W57 HydrophobicContact CD1-CB 4.09Å; Y50-W57 AromaticContact CD1-CD1 3.86Å; Y50-W57 AromaticContact CD1-CD2 3.84Å; Y50-W57 HydrophobicContact CD1-CD2 3.84Å; Y50-W57 HydrophobicContact CD1-CE3 4.37Å; Y50-W57 AromaticContact CD1-CG 3.69Å; Y50-W57 HydrophobicContact CD1-CG 3.69Å; Y50-W57 HydrophobicContact CE1-CB 4.25Å; Y50-W57 HydrophobicContact CE1-CG 4.33Å; Y50-W57 HydrophobicContact CG-CD2 4.48Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.39Å; Y50-W57 PolarHBondContact O-NE1 3.22Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 3.22Å; W57-S60 CarbonylContact O-C 3.6Å; W57-S60 WeakPolarHBondContact O-CB 3.42Å; W57-S60 PolarHBondContact O-N 3.04Å; W57-L61 HydrophobicContact CE3-CB 4.47Å; W57-L61 HydrophobicContact CE3-CD1 4.36Å; W57-L61 HydrophobicContact CZ3-CD1 3.97Å; W57-L61 WeakPolarHBondContact O-CB 3.23Å; W57-L61 PolarHBondContact O-N 2.78Å
58Q97.9Very high95.5Very high27 Ų2774.1 Ų74.113%0.12635%0.353CS..Hα-helixtrans-64.5-37.4174.7-71.3179.86.500111.6Y40 T54 S60 L61 R62Y40-Q58 HydrophobicContact CD1-CG 3.81Å; Y40-Q58 HydrophobicContact CD2-CG 4.5Å; Y40-Q58 HydrophobicContact CE1-CB 3.85Å; Y40-Q58 HydrophobicContact CE1-CG 3.64Å; Y40-Q58 HydrophobicContact CE2-CG 4.36Å; Y40-Q58 HydrophobicContact CG-CG 4.23Å; T54-Q58 WeakPolarHBondContact O-CB 3.36Å; T54-Q58 WeakPolarHBondContact O-CG 3.47Å; T54-Q58 PolarHBondContact O-N 3.31Å; Q58-S60 VanDerWaalsContact C-N 3.34Å; Q58-L61 PolarHBondContact O-N 2.99Å; Q58-R62 WeakPolarHBondContact O-CG 3.49Å; Q58-R62 PolarHBondContact O-N 3.46Å
59N97.9Very high95.4Very high97 Ų9775.7 Ų75.752%0.51936%0.359SS..Hα-helixtrans-60.9-45.9172.9-171.130.3000111.5Q55 W57 L61 R62 H63Q55-N59 WeakPolarHBondContact O-CB 3.36Å; Q55-N59 PolarHBondContact O-N 3Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 3.22Å; N59-L61 VanDerWaalsContact C-N 3.28Å; N59-L61 PolarHBondContact O-N 3.03Å; N59-R62 PolarHBondContact O-N 3.44Å; N59-H63 PolarHBondContact O-N 3.43Å
60S97.4Very high95.3Very high41 Ų4171.6 Ų71.629%0.28734%0.344SS..Hα-helixtrans-60.9-38.2175.5-56.50000111.8R56 W57 Q58 H63 N64R56-S60 PolarHBondContact O-N 3.2Å; R56-S60 PolarHBondContact O-OG 2.96Å; R56-S60 VanDerWaalsContact O-OG 3.12Å; W57-S60 CarbonylContact O-C 3.6Å; W57-S60 WeakPolarHBondContact O-CB 3.42Å; W57-S60 PolarHBondContact O-N 3.04Å; Q58-S60 VanDerWaalsContact C-N 3.34Å; S60-H63 PolarHBondContact O-N 3.49Å; S60-N64 PolarHBondContact O-N 3.2Å; S60-N64 PolarHBondContact O-ND2 3.19Å
61L97.8Very high95.3Very high0 Ų072 Ų720%035%0.346CS..Hα-helixtrans-67.5-45.4177.9-167.4145.8000111.7L36 I39 Y40 I43 W57 Q58 N59 H63 N64 L65L36-L61 HydrophobicContact CD1-CD2 3.84Å; I39-L61 HydrophobicContact CG2-CD1 4.11Å; I39-L61 HydrophobicContact CG2-CD2 4.14Å; Y40-L61 HydrophobicContact CD1-CD2 4.46Å; Y40-L61 HydrophobicContact CE1-CD2 3.99Å; I43-L61 HydrophobicContact CD1-CD1 3.34Å; W57-L61 HydrophobicContact CE3-CB 4.47Å; W57-L61 HydrophobicContact CE3-CD1 4.36Å; W57-L61 HydrophobicContact CZ3-CD1 3.97Å; W57-L61 WeakPolarHBondContact O-CB 3.23Å; W57-L61 PolarHBondContact O-N 2.78Å; Q58-L61 PolarHBondContact O-N 2.99Å; N59-L61 VanDerWaalsContact C-N 3.28Å; N59-L61 PolarHBondContact O-N 3.03Å; L61-H63 VanDerWaalsContact C-N 3.3Å; L61-H63 PolarHBondContact O-N 3.07Å; L61-N64 WeakPolarHBondContact O-CB 3.34Å; L61-N64 PolarHBondContact O-N 3.48Å; L61-L65 HydrophobicContact CD2-CD1 3.71Å; L61-L65 HydrophobicContact CD2-CG 4.11Å; L61-L65 PolarHBondContact O-N 3.32Å
62R98.1Very high95.4Very high84 Ų8468.3 Ų68.332%0.31734%0.336SS..Hα-helixtrans-58.5-42.4174.6-72-172.7-61.9-9310.6112.1L36 Y40 Q58 N59 N64 L65 S66L36-R62 HydrophobicContact CD1-CG 4.31Å; L36-R62 HydrophobicContact CD2-CG 3.9Å; Y40-R62 WeakPolarHBondContact OH-CD 3.11Å; Y40-R62 VanDerWaalsContact OH-CG 3.27Å; Y40-R62 WeakPolarHBondContact OH-CG 3.35Å; Y40-R62 PolarHBondContact OH-NH1 2.92Å; Q58-R62 WeakPolarHBondContact O-CG 3.49Å; Q58-R62 PolarHBondContact O-N 3.46Å; N59-R62 PolarHBondContact O-N 3.44Å; R62-N64 VanDerWaalsContact C-N 3.33Å; R62-N64 PolarHBondContact O-N 3.08Å; R62-L65 PolarHBondContact O-N 3.44Å; R62-S66 PolarHBondContact O-N 2.84Å
63H97.7Very high95.6Very high108 Ų10868.1 Ų68.150%0.533%0.333SS..Hα-helixtrans-59.7-43.8173.3172.370.2000111.5N59 S60 L61 L65 S66 F67N59-H63 PolarHBondContact O-N 3.43Å; S60-H63 PolarHBondContact O-N 3.49Å; L61-H63 VanDerWaalsContact C-N 3.3Å; L61-H63 PolarHBondContact O-N 3.07Å; H63-L65 PolarHBondContact O-N 3.31Å; H63-S66 PolarHBondContact O-N 3.25Å; H63-F67 AromaticContact CE1-CD2 3.85Å; H63-F67 AromaticContact CE1-CG 3.95Å; H63-F67 AromaticContact NE2-CG 3.9Å; H63-F67 WeakPolarHBondContact O-CB 3.38Å; H63-F67 PolarHBondContact O-N 3.34Å
64N96.3Very high95.9Very high25 Ų2564.1 Ų64.113%0.13431%0.311CS..Hα-helixtrans-63.8-37.5179.6-85.4-90.1000113.4S60 L61 R62 F67 N68S60-N64 PolarHBondContact O-N 3.2Å; S60-N64 PolarHBondContact O-ND2 3.19Å; L61-N64 WeakPolarHBondContact O-CB 3.34Å; L61-N64 PolarHBondContact O-N 3.48Å; R62-N64 VanDerWaalsContact C-N 3.33Å; R62-N64 PolarHBondContact O-N 3.08Å; N64-F67 PolarHBondContact O-N 3.36Å; N64-N68 PolarHBondContact O-N 2.79Å; N64-N68 VanDerWaalsContact O-N 3.09Å; N64-N68 PolarHBondContact O-ND2 3.08Å; N64-N68 PolarHBondContact OD1-ND2 2.72Å; N64-N68 VanDerWaalsContact OD1-ND2 3.14Å
65L96.8Very high96Very high3 Ų366.9 Ų66.92%0.01633%0.33CS..Hα-helixtrans-62-43.9177.6-73.3172.1000111.8T22 L36 L61 R62 H63 F71 W87T22-L65 HydrophobicContact CG2-CD2 3.66Å; L36-L65 HydrophobicContact CD1-CD1 3.52Å; L61-L65 HydrophobicContact CD2-CD1 3.71Å; L61-L65 HydrophobicContact CD2-CG 4.11Å; L61-L65 PolarHBondContact O-N 3.32Å; R62-L65 PolarHBondContact O-N 3.44Å; H63-L65 PolarHBondContact O-N 3.31Å; L65-F71 HydrophobicContact CD2-CB 4.08Å; L65-F71 HydrophobicContact CD2-CD1 4.24Å; L65-F71 HydrophobicContact CD2-CD2 4.04Å; L65-F71 HydrophobicContact CD2-CG 3.85Å; L65-W87 HydrophobicContact CB-CD2 4.15Å; L65-W87 HydrophobicContact CB-CE3 4.05Å; L65-W87 HydrophobicContact CB-CH2 3.72Å; L65-W87 HydrophobicContact CB-CZ2 3.85Å; L65-W87 HydrophobicContact CB-CZ3 3.83Å; L65-W87 HydrophobicContact CD1-CD2 4.14Å; L65-W87 HydrophobicContact CD1-CG 4.26Å; L65-W87 HydrophobicContact CD1-CZ2 4.35Å; L65-W87 HydrophobicContact CD2-CB 4.29Å; L65-W87 HydrophobicContact CD2-CD2 3.88Å; L65-W87 HydrophobicContact CD2-CE3 3.97Å; L65-W87 HydrophobicContact CD2-CG 4.04Å; L65-W87 HydrophobicContact CG-CD2 4.29Å; L65-W87 HydrophobicContact CG-CE3 4.5Å; L65-W87 VanDerWaalsContact O-CZ3 3.23Å; L65-W87 WeakPolarHBondContact O-CZ3 3.11Å
66S95.7Very high95.8Very high100 Ų10063.7 Ų63.770%0.69931%0.312SS*.Hα-helixtrans-81.4-25.4179.5-55.90000113.6R62 H63R62-S66 PolarHBondContact O-N 2.84Å; H63-S66 PolarHBondContact O-N 3.25Å
67F93.4Very high95.6Very high118 Ų11862 Ų6252%0.51831%0.305SS..Hα-helixtrans-88.2-31.7-173.9-178.4-94.2000114H63 N64H63-F67 AromaticContact CE1-CD2 3.85Å; H63-F67 AromaticContact CE1-CG 3.95Å; H63-F67 AromaticContact NE2-CG 3.9Å; H63-F67 WeakPolarHBondContact O-CB 3.38Å; H63-F67 PolarHBondContact O-N 3.34Å; N64-F67 PolarHBondContact O-N 3.36Å
68N92.8Very high95.3Very high13 Ų1367.7 Ų67.77%0.0734%0.344CS..  trans-102.1126.6-175.3-60.1-87.1000111.1I19 N64 C70 F71I19-N68 WeakPolarHBondContact CD1-OD1 3.37Å; N64-N68 PolarHBondContact O-N 2.79Å; N64-N68 VanDerWaalsContact O-N 3.09Å; N64-N68 PolarHBondContact O-ND2 3.08Å; N64-N68 PolarHBondContact OD1-ND2 2.72Å; N64-N68 VanDerWaalsContact OD1-ND2 3.14Å; N68-C70 PolarHBondContact O-N 2.88Å; N68-F71 HydrophobicContact CB-CD2 4.36Å; N68-F71 PolarHBondContact O-N 3.02Å; N68-F71 VanDerWaalsContact O-N 3.08Å
69D92.1Very high95Very high73 Ų7370.7 Ų70.739%0.3936%0.361SS..THydrogen-bonded Turntrans-61-12177.7-55-26.5000114.2F71 F109 L111D69-F71 PolarHBondContact O-N 3.45Å; D69-F109 HydrophobicContact CB-CD1 4.05Å; D69-F109 HydrophobicContact CB-CE1 3.87Å; D69-L111 HydrophobicContact CB-CB 3.96Å; D69-L111 PolarHBondContact OD2-N 3.25Å
70C92.6Very high94.5Very high6 Ų671 Ų714%0.04136%0.36CS..THydrogen-bonded Turntrans-60.9-24.7172.6-64.50000112.4N68 L89 H90 C93 F109N68-C70 PolarHBondContact O-N 2.88Å; C70-L89 CarbonylContact O-C 3.55Å; C70-L89 WeakPolarHBondContact O-CA 3.25Å; C70-H90 PolarHBondContact O-N 3.09Å; C70-C93 HydrophobicContact CB-CB 4.29Å; C70-C93 PolarHBondContact O-SG 2.88Å; C70-F109 HydrophobicContact CB-CD1 4.41Å; C70-F109 VanDerWaalsContact SG-CB 3.53Å; C70-F109 WeakPolarHBondContact SG-CD1 3.42Å
71F95.6Very high93.9Very high11 Ų1175 Ų755%0.04838%0.384CS..EExtended strand (participates in β ladder)trans-111125.5-175.8-56.6-62000110.5I19 T22 I26 L65 N68 D69 W87 A88 L89I19-F71 HydrophobicContact CB-CE2 4.35Å; I19-F71 HydrophobicContact CB-CZ 4.36Å; I19-F71 HydrophobicContact CG1-CE2 4.33Å; I19-F71 HydrophobicContact CG2-CE2 4.03Å; I19-F71 HydrophobicContact CG2-CZ 3.85Å; T22-F71 HydrophobicContact CG2-CD1 3.85Å; T22-F71 HydrophobicContact CG2-CE1 3.33Å; T22-F71 HydrophobicContact CG2-CE2 4.3Å; T22-F71 HydrophobicContact CG2-CZ 3.6Å; I26-F71 HydrophobicContact CD1-CD1 4.07Å; I26-F71 HydrophobicContact CD1-CE1 4.2Å; L65-F71 HydrophobicContact CD2-CB 4.08Å; L65-F71 HydrophobicContact CD2-CD1 4.24Å; L65-F71 HydrophobicContact CD2-CD2 4.04Å; L65-F71 HydrophobicContact CD2-CG 3.85Å; N68-F71 HydrophobicContact CB-CD2 4.36Å; N68-F71 PolarHBondContact O-N 3.02Å; N68-F71 VanDerWaalsContact O-N 3.08Å; D69-F71 PolarHBondContact O-N 3.45Å; F71-W87 HydrophobicContact CB-CE3 3.94Å; F71-W87 HydrophobicContact CB-CZ3 4.23Å; F71-A88 WeakPolarHBondContact CA-O 3.48Å; F71-L89 HydrophobicContact CD1-CD2 3.93Å; F71-L89 HydrophobicContact CE1-CD2 3.53Å; F71-L89 HydrophobicContact CZ-CD2 4.49Å
72I96.3Very high93.6Very high62 Ų6277.2 Ų77.232%0.31841%0.407SS..EExtended strand (participates in β ladder)trans-106.7137.5175.959.3173.4000109.7I74 W87 A88 H90I72-I74 HydrophobicContact CD1-CD1 4.46Å; I72-I74 HydrophobicContact CD1-CG1 4.48Å; I72-I74 HydrophobicContact CG1-CG1 4.42Å; I72-W87 WeakPolarHBondContact O-CA 3.27Å; I72-A88 HydrophobicContact CD1-CB 4.22Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 2.97Å; I72-A88 PolarHBondContact O-N 2.99Å; I72-A88 VanDerWaalsContact O-N 3.07Å; I72-H90 HydrophobicContact CG2-CB 4.28Å
73K97.3Very high93.3Very high138 Ų13882.8 Ų82.860%0.643%0.434SS*.EExtended strand (participates in β ladder)trans-90.3115.7176.8-175.6-177.5175.5-174.30109.1S85 W87K73-S85 WeakPolarHBondContact CE-OG 3.22Å; K73-W87 HydrophobicContact CB-CE3 4.22Å; K73-W87 HydrophobicContact CB-CH2 4.04Å; K73-W87 HydrophobicContact CB-CZ2 4.43Å; K73-W87 HydrophobicContact CB-CZ3 3.91Å; K73-W87 HydrophobicContact CD-CZ2 4.47Å; K73-W87 HydrophobicContact CG-CH2 4.43Å; K73-W87 HydrophobicContact CG-CZ2 4.37Å
74I96.1Very high93.1Very high48 Ų4880.2 Ų80.225%0.24644%0.437CS..EExtended strand (participates in β ladder)trans-101.6120.3-179.9-60174.5000108.8M33 I72 S85 F86 A88M33-I74 HydrophobicContact CE-CD1 4.03Å; M33-I74 HydrophobicContact SD-CD1 4.12Å; I72-I74 HydrophobicContact CD1-CD1 4.46Å; I72-I74 HydrophobicContact CD1-CG1 4.48Å; I72-I74 HydrophobicContact CG1-CG1 4.42Å; I74-S85 WeakPolarHBondContact O-CB 3.47Å; I74-F86 HydrophobicContact CB-CB 4.08Å; I74-F86 PolarHBondContact N-O 3.1Å; I74-F86 PolarHBondContact O-N 3.23Å; I74-A88 HydrophobicContact CD1-CB 3.54Å; I74-A88 HydrophobicContact CG1-CB 4.46Å
75P95Very high93.1Very high102 Ų10280.2 Ų80.266%0.66244%0.438SS*.PPolyproline II helixtrans-63.9146.5175.527.8-33.1000110.4
76R93.4Very high93.1Very high66 Ų6681.3 Ų81.325%0.24944%0.443CS..PPolyproline II helixtrans-70.8148.5173.2-68.4-173.7179-90.3-0.5109.7K83 G84 F86R76-K83 PolarHBondContact NE-O 3.46Å; R76-K83 PolarHBondContact NH2-O 3.21Å; R76-G84 VanDerWaalsContact CD-O 3.27Å; R76-G84 WeakPolarHBondContact CD-O 3.48Å; R76-G84 PolarHBondContact NE-O 2.66Å; R76-F86 HydrophobicContact CG-CD2 3.93Å; R76-F86 HydrophobicContact CG-CE2 3.82Å
77R91.6Very high93.2Very high167 Ų16777.9 Ų77.963%0.6342%0.415SS*.PPolyproline II helixtrans-69.1147.6171.1-52.8172.950.21553.1109.9D79 Q80R77-D79 WeakPolarHBondContact CB-OD1 3.4Å; R77-D79 IonicContact CZ-OD1 3.68Å; R77-D79 IonicContact CZ-OD2 3.49Å; R77-D79 IonicContact NE-OD1 2.93Å; R77-D79 PolarHBondContact NE-OD1 2.83Å; R77-D79 IonicContact NE-OD2 3.29Å; R77-D79 PolarHBondContact NE-OD2 3.04Å; R77-D79 IonicContact NH2-OD1 3.66Å; R77-D79 IonicContact NH2-OD2 3.48Å; R77-D79 PolarHBondContact NH2-OD2 3.04Å; R77-D79 PolarHBondContact O-N 3.39Å; R77-Q80 PolarHBondContact O-N 2.81Å; R77-Q80 VanDerWaalsContact O-N 3.09Å
78P90Very high93.4Very high133 Ų13372.6 Ų72.686%0.86439%0.393SS*.THydrogen-bonded Turntrans-64.2-23.7-178.226.1-34.7000113.4Q80P78-Q80 VanDerWaalsContact C-N 3.27Å; P78-Q80 PolarHBondContact O-N 3.03Å
79D91.3Very high93.5Very high89 Ų8973.3 Ų73.348%0.47640%0.397SS..THydrogen-bonded Turntrans-72.6-15.3175.454.3-57.8000113.9R77 P81R77-D79 WeakPolarHBondContact CB-OD1 3.4Å; R77-D79 IonicContact CZ-OD1 3.68Å; R77-D79 IonicContact CZ-OD2 3.49Å; R77-D79 IonicContact NE-OD1 2.93Å; R77-D79 PolarHBondContact NE-OD1 2.83Å; R77-D79 IonicContact NE-OD2 3.29Å; R77-D79 PolarHBondContact NE-OD2 3.04Å; R77-D79 IonicContact NH2-OD1 3.66Å; R77-D79 IonicContact NH2-OD2 3.48Å; R77-D79 PolarHBondContact NH2-OD2 3.04Å; R77-D79 PolarHBondContact O-N 3.39Å; D79-P81 WeakPolarHBondContact O-CD 3.43Å
80Q87.1Confident93.6Very high104 Ų10471.2 Ų71.249%0.48639%0.385SS..SBendtrans-122.378.8179.9-65.3-17319.200111R77 P78 G82R77-Q80 PolarHBondContact O-N 2.81Å; R77-Q80 VanDerWaalsContact O-N 3.09Å; P78-Q80 VanDerWaalsContact C-N 3.27Å; P78-Q80 PolarHBondContact O-N 3.03Å; Q80-G82 PolarHBondContact O-N 3.13Å
81P85.9Confident93.4Very high124 Ų12475.4 Ų75.481%0.80541%0.412SS*.  trans-62.4126.9176.126.2-33.2000110.1D79D79-P81 WeakPolarHBondContact O-CD 3.43Å
82G90.8Very high93Very high47 Ų4779.6 Ų79.649%0.48544%0.435SS..  trans-165.4160.9-176.600000113Q80 G84Q80-G82 PolarHBondContact O-N 3.13Å; G82-G84 PolarHBondContact O-N 3.3Å
83K92.2Very high92.4Very high201 Ų20176.7 Ų76.787%0.87442%0.42SS*.SBendtrans-71.6130.5-179.7-172.5172.7-177.6172.70111R76R76-K83 PolarHBondContact NE-O 3.46Å; R76-K83 PolarHBondContact NH2-O 3.21Å
84G93.9Very high91.3Very high54 Ų5471 Ų7156%0.55740%0.401SS*.SBendtrans68.8-171.3172.500000114R76 G82R76-G84 VanDerWaalsContact CD-O 3.27Å; R76-G84 WeakPolarHBondContact CD-O 3.48Å; R76-G84 PolarHBondContact NE-O 2.66Å; G82-G84 PolarHBondContact O-N 3.3Å
85S96.3Very high90.5Very high25 Ų2574.3 Ų74.318%0.17542%0.419CS..  trans-106.2163.1179.4-58.70000110.9K73 I74K73-S85 WeakPolarHBondContact CE-OG 3.22Å; I74-S85 WeakPolarHBondContact O-CB 3.47Å
86F97.1Very high89.6Confident27 Ų2771.6 Ų71.612%0.11840%0.398CS..EExtended strand (participates in β ladder)trans-79.1150.9167-69-78.6000110M33 P35 I74 R76M33-F86 HydrophobicContact CB-CB 4.41Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.2Å; M33-F86 HydrophobicContact CG-CG 4.42Å; M33-F86 HydrophobicContact SD-CB 4.1Å; M33-F86 HydrophobicContact SD-CD1 4.44Å; M33-F86 HydrophobicContact SD-CG 4.15Å; P35-F86 HydrophobicContact CB-CD1 4.48Å; I74-F86 HydrophobicContact CB-CB 4.08Å; I74-F86 PolarHBondContact N-O 3.1Å; I74-F86 PolarHBondContact O-N 3.23Å; R76-F86 HydrophobicContact CG-CD2 3.93Å; R76-F86 HydrophobicContact CG-CE2 3.82Å
87W97.8Very high88.7Confident27 Ų2768.8 Ų68.810%0.10239%0.387CS..EExtended strand (participates in β ladder)trans-120.7130.6172.9-68.593.5000108.8M33 L34 I39 L65 F71 I72 K73M33-W87 CarbonylContact C-O 3.6Å; M33-W87 VanDerWaalsContact CA-O 3.27Å; M33-W87 WeakPolarHBondContact CA-O 3.4Å; L34-W87 PolarHBondContact N-O 3.07Å; L34-W87 PolarHBondContact O-N 3.11Å; I39-W87 HydrophobicContact CD1-CB 4.2Å; L65-W87 HydrophobicContact CB-CD2 4.15Å; L65-W87 HydrophobicContact CB-CE3 4.05Å; L65-W87 HydrophobicContact CB-CH2 3.72Å; L65-W87 HydrophobicContact CB-CZ2 3.85Å; L65-W87 HydrophobicContact CB-CZ3 3.83Å; L65-W87 HydrophobicContact CD1-CD2 4.14Å; L65-W87 HydrophobicContact CD1-CG 4.26Å; L65-W87 HydrophobicContact CD1-CZ2 4.35Å; L65-W87 HydrophobicContact CD2-CB 4.29Å; L65-W87 HydrophobicContact CD2-CD2 3.88Å; L65-W87 HydrophobicContact CD2-CE3 3.97Å; L65-W87 HydrophobicContact CD2-CG 4.04Å; L65-W87 HydrophobicContact CG-CD2 4.29Å; L65-W87 HydrophobicContact CG-CE3 4.5Å; L65-W87 VanDerWaalsContact O-CZ3 3.23Å; L65-W87 WeakPolarHBondContact O-CZ3 3.11Å; F71-W87 HydrophobicContact CB-CE3 3.94Å; F71-W87 HydrophobicContact CB-CZ3 4.23Å; I72-W87 WeakPolarHBondContact O-CA 3.27Å; K73-W87 HydrophobicContact CB-CE3 4.22Å; K73-W87 HydrophobicContact CB-CH2 4.04Å; K73-W87 HydrophobicContact CB-CZ2 4.43Å; K73-W87 HydrophobicContact CB-CZ3 3.91Å; K73-W87 HydrophobicContact CD-CZ2 4.47Å; K73-W87 HydrophobicContact CG-CH2 4.43Å; K73-W87 HydrophobicContact CG-CZ2 4.37Å
88A96.6Very high87.8Confident7 Ų767.6 Ų67.66%0.05839%0.389CS..EExtended strand (participates in β ladder)trans-126.7164.6176.200000110.5M33 F71 I72 I74M33-A88 HydrophobicContact CB-CB 3.95Å; F71-A88 WeakPolarHBondContact CA-O 3.48Å; I72-A88 HydrophobicContact CD1-CB 4.22Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 2.97Å; I72-A88 PolarHBondContact O-N 2.99Å; I72-A88 VanDerWaalsContact O-N 3.07Å; I74-A88 HydrophobicContact CD1-CB 3.54Å; I74-A88 HydrophobicContact CG1-CB 4.46Å
89L95Very high86.9Confident28 Ų2868.3 Ų68.315%0.14739%0.386CS..EExtended strand (participates in β ladder)trans-78.3140169.3-71.8170.9000109.6A23 I26 Q27 C70 F71 F97A23-L89 HydrophobicContact CB-CD1 4.21Å; A23-L89 HydrophobicContact CB-CD2 4.05Å; I26-L89 HydrophobicContact CB-CG 4.44Å; I26-L89 HydrophobicContact CD1-CG 4.34Å; I26-L89 HydrophobicContact CG2-CD1 4.36Å; I26-L89 HydrophobicContact CG2-CG 4.1Å; Q27-L89 HydrophobicContact CG-CD1 3.94Å; C70-L89 CarbonylContact O-C 3.55Å; C70-L89 WeakPolarHBondContact O-CA 3.25Å; F71-L89 HydrophobicContact CD1-CD2 3.93Å; F71-L89 HydrophobicContact CE1-CD2 3.53Å; F71-L89 HydrophobicContact CZ-CD2 4.49Å; L89-F97 HydrophobicContact CD2-CE2 4.39Å
90H93.4Very high85.8Confident29 Ų2966.3 Ų66.313%0.13439%0.386CS..  trans-62.6138.2169.3-166.5-77.2000109.6C70 I72 D92 C93 G94C70-H90 PolarHBondContact O-N 3.09Å; I72-H90 HydrophobicContact CG2-CB 4.28Å; H90-D92 VanDerWaalsContact C-N 3.34Å; H90-D92 IonicContact CE1-OD1 3.76Å; H90-D92 IonicContact CE1-OD2 3.2Å; H90-D92 PolarHBondContact CE1-OD2 3.02Å; H90-D92 WeakPolarHBondContact ND1-CB 3.48Å; H90-D92 PolarHBondContact ND1-N 3.39Å; H90-D92 VanDerWaalsContact ND1-N 3.19Å; H90-D92 IonicContact ND1-OD1 3.9Å; H90-D92 IonicContact ND1-OD2 3.66Å; H90-D92 PolarHBondContact O-N 3.42Å; H90-C93 HydrophobicContact CB-CB 4.29Å; H90-C93 PolarHBondContact N-SG 3Å; H90-C93 VanDerWaalsContact N-SG 3.44Å; H90-C93 WeakPolarHBondContact O-CA 3.16Å; H90-C93 PolarHBondContact O-N 3.09Å; H90-C93 PolarHBondContact O-SG 2.88Å; H90-G94 PolarHBondContact O-N 3.49Å
91P89.7Confident85.4Confident94 Ų9464.2 Ų64.261%0.6138%0.383SS*.Hα-helixtrans-54-47.3-179.818.8-32.1000112.5C93 G94P91-C93 PolarHBondContact O-N 3.36Å; P91-G94 PolarHBondContact O-N 3.33Å
92D86.3Confident85Confident100 Ų10060 Ų6054%0.53535%0.352SS..Hα-helixtrans-62.1-11.2177-51.6-5.9000114.8H90 F109H90-D92 VanDerWaalsContact C-N 3.34Å; H90-D92 IonicContact CE1-OD1 3.76Å; H90-D92 IonicContact CE1-OD2 3.2Å; H90-D92 PolarHBondContact CE1-OD2 3.02Å; H90-D92 WeakPolarHBondContact ND1-CB 3.48Å; H90-D92 PolarHBondContact ND1-N 3.39Å; H90-D92 VanDerWaalsContact ND1-N 3.19Å; H90-D92 IonicContact ND1-OD1 3.9Å; H90-D92 IonicContact ND1-OD2 3.66Å; H90-D92 PolarHBondContact O-N 3.42Å; D92-F109 HydrophobicContact CB-CE2 3.96Å; D92-F109 HydrophobicContact CB-CZ 3.95Å
93C83.6Confident84.3Confident0 Ų063.1 Ų63.10%036%0.357CS..Hα-helixtrans-103.6-6.1177.391.60000114.1C70 H90 P91 M96 F97 F109C70-C93 HydrophobicContact CB-CB 4.29Å; C70-C93 PolarHBondContact O-SG 2.88Å; H90-C93 HydrophobicContact CB-CB 4.29Å; H90-C93 PolarHBondContact N-SG 3Å; H90-C93 VanDerWaalsContact N-SG 3.44Å; H90-C93 WeakPolarHBondContact O-CA 3.16Å; H90-C93 PolarHBondContact O-N 3.09Å; H90-C93 PolarHBondContact O-SG 2.88Å; P91-C93 PolarHBondContact O-N 3.36Å; C93-M96 HydrophobicContact CB-CE 3.33Å; C93-M96 WeakPolarHBondContact O-CB 3.43Å; C93-M96 PolarHBondContact O-N 3.14Å; C93-F97 WeakPolarHBondContact O-CD2 3.07Å; C93-F109 HydrophobicContact CB-CD1 4.26Å; C93-F109 HydrophobicContact CB-CD2 4.22Å; C93-F109 HydrophobicContact CB-CE1 4.15Å; C93-F109 HydrophobicContact CB-CE2 4.08Å; C93-F109 HydrophobicContact CB-CG 4.29Å; C93-F109 HydrophobicContact CB-CZ 4.05Å
94G74.7Confident83Confident20 Ų2064 Ų6421%0.20636%0.355CS..Hα-helixtrans-59.3-50.8-178.200000113H90 P91 M96 F97 E98H90-G94 PolarHBondContact O-N 3.49Å; P91-G94 PolarHBondContact O-N 3.33Å; G94-M96 PolarHBondContact O-N 3.48Å; G94-F97 PolarHBondContact O-N 3.48Å; G94-E98 PolarHBondContact O-N 3.33Å
95D78.5Confident82Confident117 Ų11766.3 Ų66.363%0.62635%0.346SS*.Hα-helixtrans-57.9-25.4-177.1-56.3-0.8000112.9F97D95-F97 PolarHBondContact O-N 3.04Å
96M75.9Confident80.5Confident44 Ų4477.6 Ų77.622%0.21739%0.385CS..Hα-helixtrans-67.6-18.5178.8-77.7-173.8-83.600113.7C93 G94 R105 F109C93-M96 HydrophobicContact CB-CE 3.33Å; C93-M96 WeakPolarHBondContact O-CB 3.43Å; C93-M96 PolarHBondContact O-N 3.14Å; G94-M96 PolarHBondContact O-N 3.48Å; M96-R105 PolarHBondContact O-NH2 2.9Å; M96-R105 PolarHBondContact SD-NH1 2.77Å; M96-F109 HydrophobicContact CE-CB 3.7Å; M96-F109 HydrophobicContact CE-CD2 3.22Å; M96-F109 HydrophobicContact CE-CE2 3.96Å; M96-F109 HydrophobicContact CE-CG 3.61Å; M96-F109 HydrophobicContact SD-CB 4.17Å; M96-F109 HydrophobicContact SD-CD2 4.36Å
97F75.5Confident79.4Confident7 Ų784.6 Ų84.63%0.03142%0.416CS..Hα-helixtrans-119.6-13.2-175.7-59.8-73.5000113I19 A23 Q27 L89 C93 G94 D95 N99 G100 F102I19-F97 HydrophobicContact CG2-CZ 3.85Å; A23-F97 HydrophobicContact CB-CD1 3.82Å; A23-F97 HydrophobicContact CB-CD2 3.99Å; A23-F97 HydrophobicContact CB-CE1 3.91Å; A23-F97 HydrophobicContact CB-CE2 4.08Å; A23-F97 HydrophobicContact CB-CG 3.86Å; A23-F97 HydrophobicContact CB-CZ 4.04Å; Q27-F97 VanDerWaalsContact NE2-CB 3.27Å; L89-F97 HydrophobicContact CD2-CE2 4.39Å; C93-F97 WeakPolarHBondContact O-CD2 3.07Å; G94-F97 PolarHBondContact O-N 3.48Å; D95-F97 PolarHBondContact O-N 3.04Å; F97-N99 PolarHBondContact O-N 3.24Å; F97-G100 PolarHBondContact O-N 2.83Å; F97-F102 HydrophobicContact CB-CE1 3.97Å; F97-F102 AromaticContact CD1-CD1 3.94Å; F97-F102 HydrophobicContact CD1-CD1 3.94Å; F97-F102 HydrophobicContact CD1-CE1 4.1Å; F97-F102 HydrophobicContact CG-CE1 4.45Å
98E72.6Confident78.4Confident143 Ų14391 Ų9167%0.66844%0.44SS*.Hα-helixtrans-66.2-37.3-176.9-166.3168.5-171.200112.8G94 G100G94-E98 PolarHBondContact O-N 3.33Å; E98-G100 PolarHBondContact O-N 3.37Å; E98-G100 VanDerWaalsContact O-N 3.08Å
99N70.9Confident77.5Confident148 Ų14892.7 Ų92.779%0.79145%0.446SS*.THydrogen-bonded Turntrans-79.917.5178.3-62.5-28.1000114.1F97 S101F97-N99 PolarHBondContact O-N 3.24Å; N99-S101 VanDerWaalsContact C-N 3.25Å; N99-S101 PolarHBondContact O-N 3.04Å
100G68.3Low76.8Confident47 Ų4798.8 Ų98.849%0.48547%0.471SS..SBendtrans73.67.2177.200000115.6F97 E98 F102F97-G100 PolarHBondContact O-N 2.83Å; E98-G100 PolarHBondContact O-N 3.37Å; E98-G100 VanDerWaalsContact O-N 3.08Å; G100-F102 VanDerWaalsContact C-N 3.33Å; G100-F102 WeakPolarHBondContact O-CD2 3.43Å; G100-F102 PolarHBondContact O-N 3.44Å
101S77.5Confident76.1Confident59 Ų59100.9 Ų100.941%0.41348%0.483SS..  trans-79.377.3177.8-165.50000111.6N99 L103N99-S101 VanDerWaalsContact C-N 3.25Å; N99-S101 PolarHBondContact O-N 3.04Å; S101-L103 VanDerWaalsContact C-N 3.34Å
102F78.4Confident75.4Confident37 Ų37102 Ų10216%0.16248%0.484CS..  trans-88.1-2.7175.2-61.8-70.8000113.5Y16 S20 M24 Q27 F97 G100Y16-F102 HydrophobicContact CD1-CB 3.86Å; Y16-F102 HydrophobicContact CE1-CB 3.77Å; S20-F102 WeakPolarHBondContact CB-O 3.46Å; S20-F102 PolarHBondContact OG-O 3.12Å; M24-F102 HydrophobicContact CG-CD1 3.44Å; M24-F102 VanDerWaalsContact CG-CD1 3.44Å; M24-F102 HydrophobicContact CG-CD2 4.23Å; M24-F102 HydrophobicContact CG-CE1 3.43Å; M24-F102 VanDerWaalsContact CG-CE1 3.43Å; M24-F102 HydrophobicContact CG-CE2 4.22Å; M24-F102 HydrophobicContact CG-CG 3.86Å; M24-F102 HydrophobicContact CG-CZ 3.85Å; M24-F102 HydrophobicContact SD-CB 4.4Å; M24-F102 HydrophobicContact SD-CD1 4.19Å; M24-F102 HydrophobicContact SD-CD2 4.22Å; M24-F102 HydrophobicContact SD-CG 4Å; Q27-F102 VanDerWaalsContact OE1-CE1 3.26Å; Q27-F102 VanDerWaalsContact OE1-CZ 3.26Å; F97-F102 HydrophobicContact CB-CE1 3.97Å; F97-F102 AromaticContact CD1-CD1 3.94Å; F97-F102 HydrophobicContact CD1-CD1 3.94Å; F97-F102 HydrophobicContact CD1-CE1 4.1Å; F97-F102 HydrophobicContact CG-CE1 4.45Å; G100-F102 VanDerWaalsContact C-N 3.33Å; G100-F102 WeakPolarHBondContact O-CD2 3.43Å; G100-F102 PolarHBondContact O-N 3.44Å
103L76.6Confident74.5Confident111 Ų111105 Ų10558%0.58149%0.487SS*.SBendtrans-70.7155.5178.7-64.5178.2000111.8S101 R105S101-L103 VanDerWaalsContact C-N 3.34Å; L103-R105 PolarHBondContact O-N 3.19Å; L103-R105 VanDerWaalsContact O-N 3.09Å
104R65.3Low73.5Confident221 Ų221108.7 Ų108.783%0.83452%0.517SS*.  trans-61.1113.1-177.3-177.9177.1163.6-137.9-2111.1
105R71.4Confident72.5Confident101 Ų101113.8 Ų113.838%0.38154%0.536SS..  trans-80.2148176.9-166.4176.5-69.4114.74.8112M96 L103 K107M96-R105 PolarHBondContact O-NH2 2.9Å; M96-R105 PolarHBondContact SD-NH1 2.77Å; L103-R105 PolarHBondContact O-N 3.19Å; L103-R105 VanDerWaalsContact O-N 3.09Å; R105-K107 WeakPolarHBondContact CD-O 3.35Å
106R65.6Low71.3Confident262 Ų262114 Ų11499%0.98953%0.533SS*.SBendtrans-75-33.4175-65.9-169.6-148.7139.45113.7
107K74.3Confident70.1Confident175 Ų175117 Ų11776%0.76155%0.548SS*.SBendtrans-101.1126.7179.7-168177.7-179.1-176.40110.3R105R105-K107 WeakPolarHBondContact CD-O 3.35Å
108R76Confident69Low160 Ų160120.4 Ų120.460%0.60458%0.577SS**PPolyproline II helixtrans-81.1141.7175.7-68.9-174.7178.1-132.58.3110.6
109F78.5Confident67.7Low43 Ų43119 Ų11919%0.18958%0.582CS.*PPolyproline II helixtrans-65.2139.3165.1178.9-103.7000109.4D69 C70 D92 C93 M96 L111D69-F109 HydrophobicContact CB-CD1 4.05Å; D69-F109 HydrophobicContact CB-CE1 3.87Å; C70-F109 HydrophobicContact CB-CD1 4.41Å; C70-F109 VanDerWaalsContact SG-CB 3.53Å; C70-F109 WeakPolarHBondContact SG-CD1 3.42Å; D92-F109 HydrophobicContact CB-CE2 3.96Å; D92-F109 HydrophobicContact CB-CZ 3.95Å; C93-F109 HydrophobicContact CB-CD1 4.26Å; C93-F109 HydrophobicContact CB-CD2 4.22Å; C93-F109 HydrophobicContact CB-CE1 4.15Å; C93-F109 HydrophobicContact CB-CE2 4.08Å; C93-F109 HydrophobicContact CB-CG 4.29Å; C93-F109 HydrophobicContact CB-CZ 4.05Å; M96-F109 HydrophobicContact CE-CB 3.7Å; M96-F109 HydrophobicContact CE-CD2 3.22Å; M96-F109 HydrophobicContact CE-CE2 3.96Å; M96-F109 HydrophobicContact CE-CG 3.61Å; M96-F109 HydrophobicContact SD-CB 4.17Å; M96-F109 HydrophobicContact SD-CD2 4.36Å; F109-L111 HydrophobicContact CE1-CB 4.43Å
110K79.6Confident66.6Low157 Ų157120.2 Ų120.268%0.68358%0.58SS**  trans-141.5124.7171.4-67.7-169.7176.7-173.50106L112K110-L112 PolarHBondContact O-N 2.94Å
111L79.6Confident65.3Low73 Ų73122.9 Ų122.938%0.38259%0.591SS.*  trans-67.1121.5171.9-175.263.3000107D69 F109 R113D69-L111 HydrophobicContact CB-CB 3.96Å; D69-L111 PolarHBondContact OD2-N 3.25Å; F109-L111 HydrophobicContact CE1-CB 4.43Å; L111-R113 PolarHBondContact O-N 3.06Å
112L74.8Confident63.8Low118 Ų118125.1 Ų125.162%0.61861%0.606SS**  trans-73.187.4176.2-67.8176.4000107.8K110 A114 M117K110-L112 PolarHBondContact O-N 2.94Å; L112-A114 PolarHBondContact O-N 3.22Å; L112-M117 HydrophobicContact CB-CE 3.72Å; L112-M117 HydrophobicContact CD1-CE 3.97Å; L112-M117 HydrophobicContact CD2-CE 4.33Å; L112-M117 HydrophobicContact CG-CE 4.21Å
113R67.8Low62.4Low163 Ų163128.5 Ų128.562%0.61563%0.632SS**  trans-56.4132.3172.4-150.8166.194.3117.52.4107.9L111 E115 H116L111-R113 PolarHBondContact O-N 3.06Å; R113-E115 HydrophobicContact CG-CG 4.07Å; R113-E115 IonicContact NH2-OE2 3.97Å; R113-E115 PolarHBondContact O-N 3.23Å; R113-H116 PolarHBondContact O-N 3.5Å
114A61Low61.2Low76 Ų76132.2 Ų132.263%0.62865%0.649SS**G310 helixtrans-50.1-29-176.100000113.5L112 H116 M117L112-A114 PolarHBondContact O-N 3.22Å; A114-H116 PolarHBondContact O-N 3.35Å; A114-M117 VanDerWaalsContact O-CB 3.31Å; A114-M117 WeakPolarHBondContact O-CB 3.37Å; A114-M117 WeakPolarHBondContact O-CG 3.31Å; A114-M117 PolarHBondContact O-N 2.86Å
115E54.8Low60.5Low127 Ų127129.3 Ų129.359%0.59365%0.647SS**G310 helixtrans-54.4-31.4172.1-46.6-80.3144.400114.5R113R113-E115 HydrophobicContact CG-CG 4.07Å; R113-E115 IonicContact NH2-OE2 3.97Å; R113-E115 PolarHBondContact O-N 3.23Å
116H53Low59.4Low123 Ų123133.1 Ų133.157%0.56967%0.669SS**G310 helixtrans-83.8-10.1179.1-81.497000113.7R113 A114R113-H116 PolarHBondContact O-N 3.5Å; A114-H116 PolarHBondContact O-N 3.35Å
117M51.2Low58.5Low107 Ų107130.7 Ų130.753%0.52766%0.661SS.*THydrogen-bonded Turntrans-74.6-31.7171.9-49.1-79.698.800110.4L112 A114 C119L112-M117 HydrophobicContact CB-CE 3.72Å; L112-M117 HydrophobicContact CD1-CE 3.97Å; L112-M117 HydrophobicContact CD2-CE 4.33Å; L112-M117 HydrophobicContact CG-CE 4.21Å; A114-M117 VanDerWaalsContact O-CB 3.31Å; A114-M117 WeakPolarHBondContact O-CB 3.37Å; A114-M117 WeakPolarHBondContact O-CG 3.31Å; A114-M117 PolarHBondContact O-N 2.86Å; M117-C119 VanDerWaalsContact C-N 3.34Å; M117-C119 PolarHBondContact O-N 3.4Å
118A51.9Low57.2Low78 Ų78131.2 Ų131.265%0.64566%0.664SS**THydrogen-bonded Turntrans-73-19.7-175.700000114.4
119C45.6Very low55.7Low113 Ų113131.3 Ų131.376%0.76467%0.67SS**THydrogen-bonded Turntrans-101.74.8-176.6-164.30000114.2M117M117-C119 VanDerWaalsContact C-N 3.34Å; M117-C119 PolarHBondContact O-N 3.4Å
120K47.4Very low53.8Low174 Ų174137.8 Ų137.876%0.75770%0.701SS**SBendtrans-108.6-3177.6-70.8-173.3-179.9179.80114.6S122K120-S122 VanDerWaalsContact C-N 3.25Å; K120-S122 PolarHBondContact O-N 2.82Å; K120-S122 VanDerWaalsContact O-N 3.15Å
121S41.4Very low52Low102 Ų102139.5 Ų139.571%0.71371%0.711SS**  trans-85.267.816661.20000110.2
122S45Very low49.9Very low106 Ų106139.3 Ų139.374%0.74173%0.727SS**  trans-115.9119.3154.7-1600000107.3K120 M124K120-S122 VanDerWaalsContact C-N 3.25Å; K120-S122 PolarHBondContact O-N 2.82Å; K120-S122 VanDerWaalsContact O-N 3.15Å; S122-M124 PolarHBondContact O-N 3.15Å
123P49Very low48.1Very low108 Ų108143.1 Ų143.170%0.70174%0.739SS**  trans-70.6126.9-168.94.36.4000110.7M125P123-M125 HydrophobicContact CB-CB 4.45Å; P123-M125 PolarHBondContact O-N 3.31Å
124M53Low46.7Very low190 Ų190142.5 Ų142.594%0.93675%0.747SS**  trans-65.473.7157.2-174.986.1178.100108.7S122S122-M124 PolarHBondContact O-N 3.15Å
125M50.4Low45.3Very low160 Ų160144.7 Ų144.779%0.78876%0.758SS**  trans-14478.5171.8-78.4-62.9-92.400109.6P123P123-M125 HydrophobicContact CB-CB 4.45Å; P123-M125 PolarHBondContact O-N 3.31Å
126H47Very low44.1Very low181 Ų181142.5 Ų142.584%0.83877%0.769SS**  trans-147.652.7157.2-145.2-82.8000111.3
127Y46.5Very low43.1Very low210 Ų210139.7 Ų139.782%0.82477%0.773SS**SBendtrans-116.2127.3159.6-125.9-90.4000106.8
128F48.6Very low42.4Very low187 Ų187143.3 Ų143.382%0.8279%0.789SS**  trans82.380.5-179.1-60.5-84.6000118
129H43.2Very low41.7Very low161 Ų161149 Ų14975%0.74580%0.801SS**  -168.3108.3127.2-139.358.1000111.7
130H39.2Very low40.9Very low180 Ų180151.2 Ų151.283%0.83380%0.801SS**  trans-17893.6131.4-107.8-78000109.1
131Q41.1Very low40.5Very low192 Ų192150.5 Ų150.590%0.89780%0.799SS**  trans-92.1139.1152.9-66.5-174.726.600107.7
132G35.5Very low41.1Very low70 Ų70151.3 Ų151.372%0.72280%0.802SS**  trans147.6107.2154.900000117.1
133K38.5Very low40.6Very low197 Ų197149.7 Ų149.786%0.85780%0.803SS**  trans73.5134.3133.9-101.7175175.7173.90117.1
134L36.7Very low40.8Very low151 Ų151150.8 Ų150.879%0.79181%0.81SS**  cis-165.5151.932.1-89.3157.2000112.8
135S32.2Very low39.9Very low122 Ų122146.2 Ų146.285%0.85380%0.802SS**  trans80.9124.4133.7-164.10000124.7
136G30.3Very low39.1Very low80 Ų80143.2 Ų143.283%0.82580%0.803SS**  trans101.2127.3139.500000116.6
137G31.8Very low38.6Very low64 Ų64138.9 Ų138.966%0.6680%0.798SS**  cis176157.61.400000111.2
138H36.4Very low38.2Very low184 Ų184135.8 Ų135.885%0.85280%0.801SS**  trans51.4113.3151.5-58.2-98.1000123
139H36.7Very low37.6Very low196 Ų196130.5 Ų130.591%0.90780%0.799SS**  -176.1146.9107.3-111.9-57.3000112.6
140E29.7Very low37.1Very low161 Ų161134.9 Ų134.975%0.75281%0.809SS**  trans-97.5151.1-167.6-64.2-158.5119.200117.2
141H38.8Very low37.3Very low158 Ų158134 Ų13473%0.73181%0.81SS**  trans70.7160.6140.1-84.2-58.4000123.1
142P53Low37.4Very low119 Ų119130.8 Ų130.877%0.77381%0.805SS**  cis-134.9170.2-49.229.2-9.2000115.7
143G35.8Very low37.2Very low73 Ų73136.1 Ų136.175%0.75381%0.811SS**  trans122.6149.8142.400000118.8
144P52.5Low37Very low130 Ų130134.9 Ų134.984%0.84481%0.806SS**  trans-118.7167.2-135.739.7-27.5000115.8
145A33.4Very low36.9Very low95 Ų95135.4 Ų135.479%0.78581%0.805SS**  159.6138.4123.800000114.9
146A33.4Very low37.2Very low97 Ų97134 Ų13480%0.80280%0.795SS**  trans80.2126.5138.500000122.5
147A37.9Very low37.2Very low89 Ų89141.3 Ų141.374%0.73680%0.799SS**  10893.3127.900000119.4
148V37.8Very low37.4Very low146 Ų146141.8 Ų141.889%0.88580%0.804SS**  20.2112.5128.9-76.40000120.2
149G36Very low37.1Very low76 Ų76138.1 Ų138.178%0.78480%0.799SS**  46.7119.9124.400000121.6
150R33.2Very low37Very low253 Ų253135.7 Ų135.796%0.95579%0.791SS**  -168.8145.3123.1-109.1-159.6-169.4-126.56.3112.9
151L42.2Very low37.2Very low162 Ų162134.8 Ų134.885%0.84879%0.792SS**PPolyproline II helixtrans-63.5144.4172.8-16475.1000111.9
152P43.3Very low36.8Very low123 Ų123133.3 Ų133.380%0.79980%0.798SS**PPolyproline II helixtrans-92.8141.2171.526.4-14.4000113.3
153H31.2Very low35.8Very low183 Ų183130.9 Ų130.985%0.84780%0.795SS**PPolyproline II helixtrans-85.6153.8-179176.685.9000110.9
154F34.8Very low36Very low170 Ų170136.4 Ų136.475%0.74680%0.801SS**PPolyproline II helixtrans-89.9142.7-178.8-175.3-97.4000112
155Q35.2Very low35.2Very low163 Ų163135.9 Ų135.976%0.76280%0.8SS**  trans142.3111.5152.3-80.2177.97.100109.2
156S37.1Very low36.1Very low92 Ų92135.6 Ų135.664%0.64381%0.806SS**  62.8104.176.6-170.50000114.1
157Y30.8Very low36.3Very low233 Ų233133.8 Ų133.891%0.91480%0.797SS**  -175148.7119.4-109.3-89.2000108.5
158G35.5Very low37.1Very low75 Ų75139.1 Ų139.177%0.77380%0.804SS**  trans-79.5-178.5-15700000118.6
159S31Very low38Very low107 Ų107140 Ų14075%0.74880%0.796SS**  trans122.8108.9149.6-127.10000116.3
160I33.9Very low39.2Very low144 Ų144142.1 Ų142.174%0.73879%0.785SS**  trans76.2117.7137.6-58.1163.2000120.1
161N33.2Very low40.8Very low142 Ų142134.3 Ų134.376%0.75977%0.767SS**  trans83.6127.9147.2-90.215.2000123.2
162C31.5Very low41.6Very low127 Ų127134.2 Ų134.286%0.85876%0.76SS**  trans77.4121.1142.177.90000118.2
163G33Very low43.1Very low69 Ų69130 Ų13071%0.71174%0.736SS**  trans13185154.400000115.7
164Q38.1Very low44.4Very low189 Ų189127.3 Ų127.388%0.88373%0.727SS**  trans68.2133.9146-51.2-172.913.600120.3
165S35.7Very low45.9Very low118 Ų118127.1 Ų127.183%0.82573%0.728SS**  137.1150.811869.80000113.6
166G52.5Low47Very low89 Ų89121.6 Ų121.692%0.91870%0.704SS**  trans-54.2128.7-157.700000115.9
167G38.1Very low48.2Very low59 Ų59122 Ų12261%0.60870%0.698SS**  trans-113128.1169.100000110.6K169G167-K169 PolarHBondContact O-N 2.85Å; G167-K169 VanDerWaalsContact O-N 3.15Å
168F54.7Low49.7Very low201 Ų201116.1 Ų116.188%0.88268%0.681SS**  trans-47.7114.4172.6-158-97.2000110.8H170F168-H170 PolarHBondContact O-N 3.36Å
169K57Low50.5Low166 Ų166113.8 Ų113.872%0.72266%0.656SS**  trans-83.199.1-173.5-67.9-167.7-177.6-167.70110G167G167-K169 PolarHBondContact O-N 2.85Å; G167-K169 VanDerWaalsContact O-N 3.15Å
170H60.5Low51.6Low119 Ų119118.4 Ų118.455%0.55166%0.658SS**  trans-58.3131.3172.3-118.4-73.9000109.6F168 F172 A173 N176F168-H170 PolarHBondContact O-N 3.36Å; H170-F172 PolarHBondContact O-N 2.97Å; H170-A173 HydrophobicContact CB-CB 4.46Å; H170-A173 PolarHBondContact O-N 2.91Å; H170-A173 VanDerWaalsContact O-N 3.12Å; H170-N176 PolarHBondContact O-ND2 3.12Å
171P67.2Low52.4Low89 Ų89117.5 Ų117.558%0.57865%0.654SS**THydrogen-bonded Turntrans-63.9-5.2-178.421.6-30.8000114.1
172F59.4Low53Low160 Ų160118.4 Ų118.470%0.70265%0.648SS**THydrogen-bonded Turntrans-119.38.4-178.5-40-65.1000113.5H170H170-F172 PolarHBondContact O-N 2.97Å
173A74.2Confident53.6Low35 Ų35120.1 Ų120.129%0.28964%0.641SS.*  trans-68.2136.8174.800000110.1H170 E175 N176 I177H170-A173 HydrophobicContact CB-CB 4.46Å; H170-A173 PolarHBondContact O-N 2.91Å; H170-A173 VanDerWaalsContact O-N 3.12Å; A173-E175 PolarHBondContact O-N 3.19Å; A173-E175 VanDerWaalsContact O-N 3.11Å; A173-N176 PolarHBondContact O-N 3.11Å; A173-I177 PolarHBondContact O-N 2.89Å
174I58.5Low54.1Low127 Ų127118.5 Ų118.565%0.65163%0.625SS**Hα-helixtrans-54.5-34.9-176.9-66.5166.7000111.2N176 I177 I178I174-N176 VanDerWaalsContact C-N 3.31Å; I174-N176 PolarHBondContact O-N 3.24Å; I174-I177 PolarHBondContact O-N 3.15Å; I174-I178 HydrophobicContact CG2-CD1 3.45Å; I174-I178 VanDerWaalsContact CG2-CD1 3.45Å; I174-I178 HydrophobicContact CG2-CG1 4.14Å; I174-I178 WeakPolarHBondContact O-CG1 3.35Å; I174-I178 PolarHBondContact O-N 3.37Å
175E67Low54.6Low166 Ų166115 Ų11578%0.77662%0.616SS**Hα-helixtrans-63.5-32.3177.1-53.7179.2-148.200113.3A173 G179A173-E175 PolarHBondContact O-N 3.19Å; A173-E175 VanDerWaalsContact O-N 3.11Å; E175-G179 WeakPolarHBondContact O-CA 3.32Å; E175-G179 PolarHBondContact O-N 3.46Å
176N57.7Low55.3Low47 Ų47118 Ų11825%0.25162%0.619SS.*Hα-helixtrans-83.7-23.8176.8-73-31.2000113H170 A173 I174H170-N176 PolarHBondContact O-ND2 3.12Å; A173-N176 PolarHBondContact O-N 3.11Å; I174-N176 VanDerWaalsContact C-N 3.31Å; I174-N176 PolarHBondContact O-N 3.24Å
177I62Low55.2Low101 Ų101119.4 Ų119.452%0.51861%0.61SS.*Hα-helixtrans-76.7-49.4175.4-63.3168.2000108.9A173 I174 G179A173-I177 PolarHBondContact O-N 2.89Å; I174-I177 PolarHBondContact O-N 3.15Å; I177-G179 VanDerWaalsContact C-N 3.3Å; I177-G179 PolarHBondContact O-N 2.97Å
178I62Low55.8Low109 Ų109120.7 Ų120.756%0.55961%0.61SS**Hα-helixtrans-70.3-31177.8-58.2173.3000110.7I174 R180 D181I174-I178 HydrophobicContact CG2-CD1 3.45Å; I174-I178 VanDerWaalsContact CG2-CD1 3.45Å; I174-I178 HydrophobicContact CG2-CG1 4.14Å; I174-I178 WeakPolarHBondContact O-CG1 3.35Å; I174-I178 PolarHBondContact O-N 3.37Å; I178-R180 VanDerWaalsContact C-N 3.33Å; I178-R180 PolarHBondContact O-N 2.94Å; I178-D181 PolarHBondContact O-N 3.22Å
179G52.3Low55.8Low25 Ų25114.3 Ų114.326%0.25860%0.601SS.*Hα-helixtrans-68.3-22-175.800000116.4E175 I177E175-G179 WeakPolarHBondContact O-CA 3.32Å; E175-G179 PolarHBondContact O-N 3.46Å; I177-G179 VanDerWaalsContact C-N 3.3Å; I177-G179 PolarHBondContact O-N 2.97Å
180R54.6Low56.1Low205 Ų205112.9 Ų112.977%0.77460%0.6SS**Hα-helixtrans-75.8-29.2178.6-90.1-177.8177.4136.8-0.2113I178I178-R180 VanDerWaalsContact C-N 3.33Å; I178-R180 PolarHBondContact O-N 2.94Å
181D51.2Low55.9Low124 Ų124112 Ų11266%0.66361%0.605SS**Hα-helixtrans-94.3-15-167.9-59.4-44.4000113.6I178I178-D181 PolarHBondContact O-N 3.22Å
182Y45.1Very low55.2Low161 Ų161113.7 Ų113.763%0.63161%0.608SS**Hα-helixtrans-94-24.4178.884.6-97.3000114.2
183K45.6Very low54.9Low163 Ų163109.1 Ų109.171%0.70959%0.593SS**SBendtrans-102.11.2-174.8-135.3-161.8-175.7-158.60115.1
184G42.9Very low54Low36 Ų36111.3 Ų111.337%0.37161%0.607SS.*SBendtrans-95.4-16.3170.900000114.2M186G184-M186 VanDerWaalsContact C-N 3.28Å; G184-M186 PolarHBondContact O-N 3.46Å
185V47.6Very low54Low116 Ų116109.3 Ų109.370%0.70360%0.6SS**THydrogen-bonded Turntrans-81.41.7-170.2128.90000114.9
186M51.4Low53.6Low179 Ų179105.8 Ų105.888%0.88258%0.584SS**THydrogen-bonded Turntrans-117.5-4179.4-48.5-75-136.800113.7G184G184-M186 VanDerWaalsContact C-N 3.28Å; G184-M186 PolarHBondContact O-N 3.46Å
187T49.9Very low53.6Low120 Ų120109.1 Ų109.174%0.73660%0.599SS**THydrogen-bonded Turntrans-132.7-4.7-169.9-169.70000116.2
188S49.9Very low53.4Low86 Ų86112.4 Ų112.460%0.60161%0.611SS**  trans-163.588.8168.356.40000109.3L190S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 3.49Å
189G55.6Low53.3Low67 Ų67113.2 Ų113.269%0.69162%0.616SS**  trans-71.180.518000000112.3
190L63.6Low53.3Low136 Ų136115.3 Ų115.371%0.71264%0.638SS**  trans-153.392.7169.6-67.4177.8000109.3S188 T193S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 3.49Å; L190-T193 WeakPolarHBondContact CD2-OG1 3.49Å
191P55.5Low53.3Low100 Ų100113 Ų11365%0.64963%0.63SS**SBend-141.3-13.1116.234.5-23.3000115V195P191-V195 WeakPolarHBondContact O-CG2 3.47Å
192I52.5Low53.3Low124 Ų124113 Ų11364%0.63664%0.637SS**Hα-helixtrans-85-32-171.7-50.1173.6000111.6S194 V195 M196I192-S194 PolarHBondContact O-N 3.48Å; I192-V195 PolarHBondContact O-N 3.29Å; I192-M196 WeakPolarHBondContact O-CG 3.43Å; I192-M196 PolarHBondContact O-N 3.39Å
193T54.1Low53.9Low64 Ų64108.7 Ų108.739%0.39363%0.627SS.*Hα-helixtrans-65.6-36.8-177.962.90000112.7L190 V195 M196 H197L190-T193 WeakPolarHBondContact CD2-OG1 3.49Å; T193-V195 VanDerWaalsContact C-N 3.33Å; T193-V195 PolarHBondContact O-N 3.25Å; T193-M196 PolarHBondContact O-N 3.44Å; T193-H197 PolarHBondContact O-N 3.31Å
194S55.2Low54.5Low82 Ų82105.7 Ų105.757%0.57363%0.625SS**Hα-helixtrans-66.8-34.2178.2-178.10000112.4I192I192-S194 PolarHBondContact O-N 3.48Å
195V57.3Low55.2Low85 Ų85108.6 Ų108.652%0.51565%0.645SS.*Hα-helixtrans-74.2-34.6178.2-170.40000111P191 I192 T193 H197 H198 L199P191-V195 WeakPolarHBondContact O-CG2 3.47Å; I192-V195 PolarHBondContact O-N 3.29Å; T193-V195 VanDerWaalsContact C-N 3.33Å; T193-V195 PolarHBondContact O-N 3.25Å; V195-H197 VanDerWaalsContact C-N 3.34Å; V195-H197 PolarHBondContact O-N 3.36Å; V195-H198 PolarHBondContact O-N 3.47Å; V195-L199 HydrophobicContact CG1-CD1 4.12Å; V195-L199 PolarHBondContact O-N 3.3Å
196M59.7Low55.6Low91 Ų91111.9 Ų111.945%0.44865%0.653SS.*Hα-helixtrans-65.5-34.3177-69.6177.970.500112.9I192 T193 L199 Y201I192-M196 WeakPolarHBondContact O-CG 3.43Å; I192-M196 PolarHBondContact O-N 3.39Å; T193-M196 PolarHBondContact O-N 3.44Å; M196-L199 PolarHBondContact O-N 3.43Å; M196-Y201 PolarHBondContact O-N 3.33Å
197H57.8Low55.7Low118 Ų118108.2 Ų108.255%0.54664%0.636SS.*Hα-helixtrans-65.1-38.3175.4-174-94.8000112.3T193 V195 L199 G200T193-H197 PolarHBondContact O-N 3.31Å; V195-H197 VanDerWaalsContact C-N 3.34Å; V195-H197 PolarHBondContact O-N 3.36Å; H197-L199 PolarHBondContact O-N 3.41Å; H197-G200 PolarHBondContact O-N 3.05Å
198H56.8Low55.9Low170 Ų170105.7 Ų105.779%0.78762%0.623SS**Hα-helixtrans-73.8-13-178.8-123-64.6000114V195V195-H198 PolarHBondContact O-N 3.47Å
199L60.6Low56.1Low125 Ų125106 Ų10665%0.65463%0.626SS**THydrogen-bonded Turntrans-106.35.9-178.6-70.3165.4000113.4V195 M196 H197 Y201V195-L199 HydrophobicContact CG1-CD1 4.12Å; V195-L199 PolarHBondContact O-N 3.3Å; M196-L199 PolarHBondContact O-N 3.43Å; H197-L199 PolarHBondContact O-N 3.41Å; L199-Y201 HydrophobicContact CB-CD2 4.19Å; L199-Y201 HydrophobicContact CB-CE2 4.43Å
200G52.7Low56.2Low70 Ų70107.6 Ų107.672%0.72262%0.621SS**THydrogen-bonded Turntrans80.320.3171.100000115.9H197H197-G200 PolarHBondContact O-N 3.05Å
201Y53.3Low55.7Low157 Ų157104.7 Ų104.762%0.61661%0.609SS**PPolyproline II helixtrans-85.7137.4174.4-75.4-84.8000111.7M196 L199 V203M196-Y201 PolarHBondContact O-N 3.33Å; L199-Y201 HydrophobicContact CB-CD2 4.19Å; L199-Y201 HydrophobicContact CB-CE2 4.43Å; Y201-V203 PolarHBondContact O-N 3.35Å
202P52.7Low55.7Low123 Ų123105.3 Ų105.380%0.79961%0.607SS**PPolyproline II helixtrans-70.8126.8-179.427.1-32.4000111.5
203V56.6Low55.8Low71 Ų71103.9 Ų103.943%0.4361%0.608SS.*PPolyproline II helixtrans-99137.7178.3-1800000109.8Y201 L207Y201-V203 PolarHBondContact O-N 3.35Å; V203-L207 HydrophobicContact CG1-CB 4.32Å
204P59.2Low55.7Low100 Ų100107.8 Ų107.865%0.64962%0.624SS**PPolyproline II helixtrans-58.8142.5177-24.233.9000113.5Q206 L207P204-Q206 PolarHBondContact O-N 3.44Å; P204-L207 PolarHBondContact O-N 2.88Å
205A56.8Low55.6Low96 Ų96112.9 Ų112.979%0.79363%0.63SS**THydrogen-bonded Turntrans-58-12.8-168.500000116.6
206Q55.9Low55.1Low186 Ų186114.8 Ų114.887%0.86965%0.645SS**THydrogen-bonded Turntrans-79.2-13.3-179.1-65.9-154.7-20.300114.8P204P204-Q206 PolarHBondContact O-N 3.44Å
207L54.3Low54.6Low102 Ų102119.1 Ų119.153%0.53466%0.663SS.*SBendtrans-111.50.5-177.9-65.3174.6000114.2V203 P204V203-L207 HydrophobicContact CG1-CB 4.32Å; P204-L207 PolarHBondContact O-N 2.88Å
208S53.5Low54.4Low67 Ų67119.7 Ų119.747%0.46968%0.675SS.*Hα-helixtrans-65.7-37.9-179.8-179.20000113V210 V211 N212S208-V210 VanDerWaalsContact C-N 3.26Å; S208-V210 PolarHBondContact O-N 3.27Å; S208-V211 PolarHBondContact O-N 3.42Å; S208-N212 PolarHBondContact O-N 3.32Å
209S54.9Low54Low93 Ų93115 Ų11565%0.6567%0.673SS**Hα-helixtrans-62-31.5-177.6-170.10000113.5S213S209-S213 PolarHBondContact O-OG 3.38Å; S209-S213 VanDerWaalsContact O-OG 3.08Å
210V56.5Low53.1Low99 Ų99117.5 Ų117.560%0.668%0.683SS**Hα-helixtrans-79.7-29.9-176.6-140.80000112.1S208S208-V210 VanDerWaalsContact C-N 3.26Å; S208-V210 PolarHBondContact O-N 3.27Å
211V54.4Low52.7Low75 Ų75122.8 Ų122.846%0.45569%0.694SS.*Hα-helixtrans-74.3-39.3178.5144.80000112S208 S213 M214S208-V211 PolarHBondContact O-N 3.42Å; V211-S213 PolarHBondContact O-N 3.27Å; V211-M214 PolarHBondContact O-N 3.29Å
212N54.8Low52Low113 Ų113120.1 Ų120.160%0.60470%0.698SS**Hα-helixtrans-66.1-23.6177.6-77.3-10.5000113.1S208 M214S208-N212 PolarHBondContact O-N 3.32Å; N212-M214 VanDerWaalsContact C-N 3.3Å; N212-M214 PolarHBondContact O-N 3.08Å
213S54.9Low51.1Low94 Ų94120.7 Ų120.766%0.65770%0.695SS**THydrogen-bonded Turntrans-74.8-16-179.5-61.50000113.9S209 V211S209-S213 PolarHBondContact O-OG 3.38Å; S209-S213 VanDerWaalsContact O-OG 3.08Å; V211-S213 PolarHBondContact O-N 3.27Å
214M52.2Low50.1Low147 Ų147122.2 Ų122.272%0.72471%0.708SS**THydrogen-bonded Turntrans-92.4-10.6-179.9-102.9-172.771.300114.3V211 N212V211-M214 PolarHBondContact O-N 3.29Å; N212-M214 VanDerWaalsContact C-N 3.3Å; N212-M214 PolarHBondContact O-N 3.08Å
215W53.5Low48.9Very low188 Ų188126.3 Ų126.371%0.71272%0.721SS**  trans-143.482.2-178.9-69.196.1000111.4H217W215-H217 PolarHBondContact O-N 3.23Å
216P46.7Very low47.8Very low126 Ų126127.4 Ų127.482%0.81872%0.723SS**THydrogen-bonded Turntrans-69.9-4.3-174-16.430000115.1
217H48.9Very low46.6Very low181 Ų181123.3 Ų123.384%0.83872%0.721SS**THydrogen-bonded Turntrans-120.89.4-165.4-140.4-57.2000115.7W215W215-H217 PolarHBondContact O-N 3.23Å
218V52.5Low45.7Very low130 Ų130125.8 Ų125.879%0.78873%0.733SS**SBendtrans-124.172.3176.8-1680000109.2
219G48.9Very low45.3Very low72 Ų72128.1 Ų128.174%0.74275%0.747SS**  trans169.362.3178.400000114.4
220M41.1Very low44.2Very low178 Ų178129.7 Ų129.788%0.87775%0.752SS**  trans-152.278.1160.1-120.2-168.275.800110.8
221L43.9Very low43Very low180 Ų180130 Ų13094%0.94276%0.759SS**  trans-141.371.2153.1-73.3179.2000107.7
222S39.2Very low42Very low102 Ų102131.2 Ų131.271%0.71377%0.77SS**  trans-163.6135.7144-151.90000110.7
223D33.3Very low40.8Very low135 Ų135133.8 Ų133.872%0.72278%0.779SS**  trans88.3117.8154.1-85.9-68.6000122.6
224S35.6Very low39.8Very low103 Ų103139.9 Ų139.972%0.7279%0.789SS**  trans98.9109.1132.5-67.80000119.4
225M35.9Very low39.1Very low185 Ų185136.7 Ų136.791%0.91179%0.786SS**  trans-8.9129.6150.9-68.5-172.6145.900117.5
226S31.8Very low39Very low119 Ų119132.6 Ų132.683%0.83278%0.783SS**  176.3140.2124.840.60000113.3
227A31.4Very low38.6Very low101 Ų101136.1 Ų136.184%0.83579%0.786SS**  trans61.4110.9148.700000122.1
228I35.2Very low38.2Very low154 Ų154131.1 Ų131.179%0.7978%0.784SS**  trans-70.3145.8146.5-77-74.1000107.9
229P45.2Very low37.9Very low116 Ų116132 Ų13275%0.75379%0.789SS**  -147.9149.670.334.8-11.6000120.6
230V32.7Very low37.2Very low126 Ų126134.4 Ų134.476%0.76480%0.795SS**  trans33.1119.4135.6164.80000119.9
231S31Very low37.1Very low105 Ų105134.3 Ų134.373%0.73479%0.794SS**  168.3130.3103.2-126.80000111.5
232S32.8Very low36.9Very low100 Ų100135.8 Ų135.870%0.69979%0.793SS**  61119.2116.4-129.10000114.3
233E29.2Very low36.8Very low167 Ų167133.4 Ų133.478%0.7879%0.785SS**  cis-176.9161.345.4-126.6166.713800109.4
234Y35.1Very low36.8Very low223 Ų223135 Ų13588%0.87579%0.792SS**  trans96125.2157.3-115-99.1000121.9
235A36.7Very low36.8Very low80 Ų80139.9 Ų139.966%0.66180%0.797SS**  trans-72.6-173.5-168.600000114
236P53Low36.9Very low101 Ų101140 Ų14066%0.65679%0.794SS**  cis-150.3175.124.532-4.5000119.6
237F38Very low37.2Very low200 Ų200142.8 Ų142.888%0.87779%0.794SS**  trans94.692.9169.4-54.9-69.5000117.2
238G40Very low37.3Very low76 Ų76142.1 Ų142.178%0.78479%0.789SS**  trans-79.4147170.600000113.3
239V45.3Very low37.3Very low148 Ų148139.9 Ų139.990%0.89779%0.786SS**  trans-143.4135.2149.1-94.50000107.9
240S35.7Very low37.1Very low124 Ų124137.9 Ų137.987%0.86779%0.787SS**  trans-69.2134.6-168.7-172.20000113.1
241M38.9Very low37.5Very low176 Ų176140.2 Ų140.287%0.86779%0.79SS**  trans-61.9143.6162-79.1-93-153.100110.9
242K39.2Very low38.5Very low210 Ų210141.9 Ų141.991%0.91380%0.796SS**  trans-133107.5147-149.6174-172.1-179.90107.9
243G36Very low39.3Very low53 Ų53144.1 Ų144.155%0.54680%0.799SS.*  trans-76.6149.8175.500000111.7
244L34.7Very low40.3Very low167 Ų167141.6 Ų141.687%0.87480%0.797SS**  trans-130.7107.3150.3-142.475.3000106.7
245Y34.5Very low41Very low207 Ų207135.8 Ų135.881%0.81280%0.795SS**  trans-65.5134.4171.3-79.8-99.3000109.5
246H38.9Very low42.1Very low187 Ų187138.2 Ų138.287%0.86680%0.801SS**  trans-132.3116.1138.9-91.2-71.4000109.2
247H37.4Very low42.2Very low177 Ų177139 Ų13982%0.81981%0.806SS**  trans-80.9126.4175.1-171.2-91.1000108.5
248A33.5Very low43.7Very low88 Ų88135.8 Ų135.873%0.72780%0.803SS**  trans-153.7102.5163.900000110.6
249S35.5Very low44.7Very low106 Ų106138.2 Ų138.274%0.74181%0.805SS**  trans23.4121.914155.10000118.6
250G41.8Very low45Very low75 Ų75139 Ų13977%0.77380%0.803SS**  trans-58.7146164.200000113.2
251Q39.8Very low46Very low175 Ų175142.3 Ų142.382%0.81880%0.801SS**  trans-164.8120138.5-107.2-171.467.800108.5
252T52.1Low46.6Very low139 Ų139139.3 Ų139.385%0.85380%0.795SS**  trans-73.7118.4168.150.60000108.5
253L50Low47.4Very low148 Ų148135.7 Ų135.778%0.77579%0.791SS**  trans-107.6135.1168.1-69.6177.2000109.8
254P49.6Very low48.3Very low113 Ų113139 Ų13973%0.73480%0.802SS**PPolyproline II helixtrans-77139.5175.831.1-31.8000110.7V256P254-V256 PolarHBondContact O-N 3.28Å
255A49.8Very low49Very low102 Ų102136.3 Ų136.384%0.84380%0.798SS**PPolyproline II helixtrans-64.1120.3175.800000111.1
256V60.5Low49.8Very low130 Ų130135.1 Ų135.179%0.78880%0.802SS**PPolyproline II helixtrans-81129.1173.1176.60000109.2P254P254-V256 PolarHBondContact O-N 3.28Å
257P55.7Low50.6Low117 Ų117129 Ų12976%0.7679%0.789SS**PPolyproline II helixtrans-70.2130.5174.2-13.828.2000111.3
258V68.4Low51.5Low133 Ų133126.6 Ų126.681%0.80679%0.79SS**PPolyproline II helixtrans-76.3134.7174.6-113.40000111I260V258-I260 PolarHBondContact O-N 2.89Å
259P60.9Low52.5Low127 Ų127131 Ų13183%0.82580%0.797SS**PPolyproline II helixtrans-69.2128.7176.9-1931.7000112.7
260I53.1Low53.3Low165 Ų165131.3 Ų131.385%0.84680%0.797SS**PPolyproline II helixtrans-81.9119.1173.8-44171.8000107.9V258V258-I260 PolarHBondContact O-N 2.89Å
261K54.7Low53.2Low193 Ų193131.4 Ų131.484%0.83980%0.798SS**PPolyproline II helixtrans-72.8133.6176.9-178.3171.1174.51660110.6
262P53.2Low53.3Low114 Ų114131.5 Ų131.574%0.7480%0.803SS**PPolyproline II helixtrans-74.5147.5178.226.8-31.5000113.4
263T56Low52.8Low133 Ų133130.9 Ų130.982%0.81680%0.804SS**PPolyproline II helixtrans-48.3140173.9-25.20000113.2
264P54.7Low52.2Low122 Ų122127.6 Ų127.679%0.79281%0.807SS**PPolyproline II helixtrans-78.2123.6169.129-29.7000111.5
265S49.2Very low51.8Low112 Ų112130 Ų13078%0.78381%0.812SS**PPolyproline II helixtrans-79.2128.5166.81760000109.7
266M51.8Low52Low181 Ų181130.3 Ų130.389%0.89281%0.806SS**  trans-89.1115.1169.9-73.5-95.67100109.2
267G55.9Low50.9Low59 Ų59129.2 Ų129.261%0.60880%0.804SS**  trans-82.8177.2171.900000113.6
268P54.7Low50.2Low127 Ų127127.2 Ų127.283%0.82581%0.805SS**PPolyproline II helixtrans-91.2148.2-159.231.5-24.7000113.9
269M55.6Low49.4Very low179 Ų179127 Ų12788%0.88281%0.806SS**PPolyproline II helixtrans-74.8136.5175.4-77.9-91.587.400112.1
270P51.7Low48.3Very low113 Ų113124.8 Ų124.873%0.73480%0.798SS**PPolyproline II helixtrans-84.8146.9167.218.9-5.4000112
271G40.8Very low47.6Very low77 Ų77124.5 Ų124.579%0.79479%0.793SS**PPolyproline II helixtrans-80170.2-171.600000116.5
272L41Very low46.7Very low177 Ų177121.8 Ų121.893%0.92779%0.787SS**  trans-135.4120.8158.7-99.7154.8000107.9
273S42.3Very low45.7Very low126 Ų126121.2 Ų121.288%0.88179%0.785SS**  trans-74.6148.2175.715.90000111.5
274G36Very low44.8Very low80 Ų80119.6 Ų119.683%0.82578%0.779SS**  trans173.169.2171.300000114.2
275L41.3Very low44.1Very low162 Ų162118.9 Ų118.985%0.84878%0.777SS**  trans-66161.9154-97.1141.5000108.8
276P54.3Low43.5Very low110 Ų110118.7 Ų118.771%0.71478%0.775SS**  cis-149.8161.745.943.4-22.7000119.4
277S38.4Very low42.9Very low107 Ų107114.9 Ų114.975%0.74877%0.767SS**  trans48.7125.3134.768.10000122.2
278G39.5Very low42Very low75 Ų75120 Ų12077%0.77378%0.777SS**  trans161.5139.1143.100000114.1
279P52Low41.5Very low127 Ų127119.5 Ų119.583%0.82577%0.767SS**  trans-117.1167.4-149.338.3-23.4000116
280A37.9Very low40.7Very low81 Ų81117.6 Ų117.667%0.66976%0.755SS**  trans80.1158.2143.100000121.3
281Q38.7Very low40.2Very low160 Ų160119.3 Ų119.375%0.74875%0.751SS**  trans90.1112.7161.7-51-69.4-56.300114.5
282L36.4Very low39.8Very low136 Ų136122.1 Ų122.171%0.71275%0.748SS**  cis109.3132.748-100.8160.7000110.4
283C31.9Very low39.5Very low102 Ų102116.8 Ų116.869%0.68974%0.736SS**  trans72.6114.5151.6-800000122.5
284S37.8Very low39.3Very low99 Ų99116 Ų11669%0.69273%0.731SS**  70.1118.1108.7-54.70000122.1
285S38.3Very low39.7Very low107 Ų107119.9 Ų119.975%0.74873%0.732SS**  66.2126.7119.6-52.50000122.4
286S38.3Very low40.6Very low107 Ų107117 Ų11775%0.74872%0.724SS**  trans81119.3130.7-67.10000122
287S37.7Very low40Very low102 Ų102119.1 Ų119.171%0.71373%0.728SS**  87147.1122.375.50000121.1
288M37Very low40Very low166 Ų166123 Ų12382%0.81873%0.734SS**  trans79.1143149.8-68.3-132.117900116.9
289L43.9Very low39.9Very low117 Ų117122.6 Ų122.661%0.61373%0.73SS**  cis179.1154.1-13.9-139.7133.2000104.3
290E40.1Very low39.4Very low138 Ų138127 Ų12765%0.64574%0.736SS**  trans71.2151.2151.1-110.1-177.6110.400116.2
291K39.5Very low39.4Very low149 Ų149126.2 Ų126.265%0.64874%0.736SS**  cis-172.4158.728.7-155.9179.1176.6106.10111.1
292N32.8Very low39.3Very low137 Ų137127 Ų12773%0.73375%0.745SS**  trans76.4121155.6-75.6-8.4000117.6
293G36.2Very low39.6Very low64 Ų64124 Ų12466%0.6674%0.741SS**  cis94.3109.414.100000111.8
294S37.5Very low40.1Very low111 Ų111126.5 Ų126.578%0.77675%0.746SS**  trans174.597.1136.231.60000112
295D44.6Very low40.4Very low160 Ų160130.7 Ų130.786%0.85675%0.754SS**  68.5159.7104.5-85.4-26.1000123.8
296P58.7Low41.3Very low103 Ų103130.5 Ų130.567%0.66975%0.75SS**  -131.5-176.4-126.344.5-28.5000114.1
297L42.7Very low41.5Very low154 Ų154129.5 Ų129.581%0.80675%0.748SS**  trans-146.9124.3154.2-79.9177.9000112.4
298E38.3Very low42Very low188 Ų188132.5 Ų132.588%0.87976%0.755SS**  trans34.4142.5139.1-60.6-172.794.900120.9
299G37.1Very low42.6Very low67 Ų67132.2 Ų132.269%0.69176%0.756SS**  cis158172.316.900000109.4
300K41.7Very low43Very low219 Ų219133.8 Ų133.895%0.95276%0.764SS**  trans76.8120.4-178-74.6158.2160.3164.70115.6
301G37.3Very low43.6Very low64 Ų64136.3 Ų136.366%0.6680%0.797SS**  cis104.493.621.200000110.3
302N37Very low43.8Very low176 Ų176135.7 Ų135.794%0.94181%0.805SS**  172.7149119.3-94.84.4000114.5
303A42.2Very low44.4Very low75 Ų75135.6 Ų135.662%0.6281%0.808SS**  trans-83.3149.2-173.600000113.9
304I43.7Very low44.9Very low154 Ų154139.6 Ų139.679%0.7982%0.817SS**  42.4119.8128.3-38.9161.7000117.9
305H44.2Very low45.3Very low187 Ų187141.2 Ų141.287%0.86682%0.819SS**  trans-128.1130.7154.6-116.6-84000110
306P55.8Low45.4Very low102 Ų102140.1 Ų140.166%0.66282%0.817SS**  trans-104.5158.8164.236-26.3000112.7
307A43.7Very low44.5Very low86 Ų86142.5 Ų142.571%0.71183%0.827SS**  trans67.4122.6144.400000122.8
308L48.5Very low44.6Very low165 Ų165141.7 Ų141.786%0.86483%0.828SS**  trans66.6117.4133.9-58.2173.7000121.4
309L50.1Low45.1Very low161 Ų161138.2 Ų138.284%0.84382%0.824SS**  -175.7131.7127.2-106.2152.2000113.6
310L51.2Low45.7Very low149 Ų149144.1 Ų144.178%0.7884%0.835SS**  trans30.1118.2150.2-10575.8000120.9
311S53.6Low46.1Very low191 Ų191137.3 Ų137.3100%1.33683%0.825SS**  175099.8-67.90000110.5

Retrieved 311 of 311 residues in 128.8 ms (Link to these results)