A0A087YMG3_POEFO Loading...

Forkhead box K2a

AlphaFold DB , UniProt , Accession A0A087YMG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 574 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
1M37.7Very low70.5Confident241 Ų241102.4 Ų102.4100%1.18765%0.649SS**  0131.60-69.1178.8178.200108.2
2A41.3Very low71.1Confident100 Ų100111.5 Ų111.583%0.82668%0.677SS**  trans-64.9136.6177.700000111.2G4A2-G4 PolarHBondContact O-N 3.39Å
3V53.8Low72Confident118 Ų118105.8 Ų105.872%0.71565%0.645SS**  trans-77.2104.4164.4-179.70000106.2S5V3-S5 PolarHBondContact O-N 3.35Å
4G61.4Low72.9Confident42 Ų42105.5 Ų105.543%0.43365%0.649SS.*  trans-57.1135178.200000110.9A2A2-G4 PolarHBondContact O-N 3.39Å
5S74.9Confident73.9Confident93 Ų93105.1 Ų105.165%0.6564%0.635SS**  trans-52.3136.1-17646.40000112.9V3 R19V3-S5 PolarHBondContact O-N 3.35Å; S5-R19 PolarHBondContact O-NH1 3.34Å; S5-R19 PolarHBondContact O-NH2 3.3Å
6V83.9Confident75Confident52 Ų5299.4 Ų99.432%0.31560%0.6SS.*  trans-141.6131.9172.9-65.90000107.9R18 R19V6-R18 WeakPolarHBondContact CG1-O 3.03Å; V6-R19 HydrophobicContact CG1-CG 4.43Å
7D86.1Confident75.9Confident167 Ų16796.2 Ų96.289%0.89358%0.583SS**SBendtrans-77-28.9-171.2-42-86.3000111.8
8V86.3Confident76.5Confident101 Ų101102.8 Ų102.861%0.61260%0.596SS**SBendtrans-130.4111.3174.9-173.90000109.4M10V8-M10 HydrophobicContact CG1-SD 3.73Å
9S85.1Confident77.2Confident96 Ų96104.6 Ų104.667%0.67159%0.592SS**  trans-88.4110.9178-176.10000111.4G11S9-G11 PolarHBondContact O-N 3.33Å
10M83.1Confident78Confident67 Ų6799.8 Ų99.833%0.3356%0.564SS.*  trans-8418.8174.5-54.6-49.3-47.500113.7V8 I16 I75 I77V8-M10 HydrophobicContact CG1-SD 3.73Å; M10-I16 HydrophobicContact CB-CD1 4.26Å; M10-I16 HydrophobicContact CB-CG2 4.37Å; M10-I16 HydrophobicContact CG-CD1 4.44Å; M10-I16 HydrophobicContact CG-CG2 4.42Å; M10-I75 HydrophobicContact CE-CD1 4.23Å; M10-I75 HydrophobicContact CE-CG2 3.69Å; M10-I77 HydrophobicContact SD-CD1 3.82Å
11G81.6Confident78.8Confident49 Ų4997 Ų9751%0.50555%0.547SS..  trans66.5-164.3-178.600000114.6S9 S13S9-G11 PolarHBondContact O-N 3.33Å; G11-S13 VanDerWaalsContact C-N 3.28Å; G11-S13 PolarHBondContact O-N 3.23Å
12H78.3Confident81.5Confident212 Ų21288.8 Ų88.898%0.98151%0.506SS*.SBendtrans-82.360.8-173.5-63.6116.4000113.4
13S82.3Confident84Confident38 Ų3887.5 Ų87.527%0.26648%0.484SS..  trans-86.7133.7176.5-176.10000112.5G11 F15 I16G11-S13 VanDerWaalsContact C-N 3.28Å; G11-S13 PolarHBondContact O-N 3.23Å; S13-F15 VanDerWaalsContact C-N 3.32Å; S13-F15 PolarHBondContact OG-N 3.37Å; S13-F15 VanDerWaalsContact OG-N 3.16Å; S13-I16 PolarHBondContact OG-N 3.48Å
14S84.7Confident85.7Confident101 Ų10185.3 Ų85.371%0.70647%0.466SS*.SBendtrans-79.3-1716855.20000113.1
15F87.9Confident87Confident99 Ų9986 Ų8643%0.43446%0.461SS..SBendtrans-94.1-15.8-178.8-59.6-72.3000113.1S13 N44 S72 T73S13-F15 VanDerWaalsContact C-N 3.32Å; S13-F15 PolarHBondContact OG-N 3.37Å; S13-F15 VanDerWaalsContact OG-N 3.16Å; F15-N44 PolarHBondContact O-ND2 2.9Å; F15-S72 VanDerWaalsContact CD1-CB 3.42Å; F15-T73 HydrophobicContact CB-CG2 3.85Å
16I91.2Very high87.2Confident15 Ų1583.9 Ų83.98%0.07745%0.45CS..SBendtrans-119.6112.1177.1-57.5176.9000108.7M10 S13 H20 F70 T73 I75M10-I16 HydrophobicContact CB-CD1 4.26Å; M10-I16 HydrophobicContact CB-CG2 4.37Å; M10-I16 HydrophobicContact CG-CD1 4.44Å; M10-I16 HydrophobicContact CG-CG2 4.42Å; S13-I16 PolarHBondContact OG-N 3.48Å; I16-H20 WeakPolarHBondContact CA-ND1 3.41Å; I16-H20 HydrophobicContact CG2-CB 3.86Å; I16-H20 WeakPolarHBondContact CG2-ND1 3.23Å; I16-F70 HydrophobicContact CD1-CB 4.18Å; I16-F70 HydrophobicContact CD1-CD1 4.27Å; I16-F70 HydrophobicContact CD1-CD2 3.44Å; I16-F70 VanDerWaalsContact CD1-CD2 3.44Å; I16-F70 HydrophobicContact CD1-CE2 3.8Å; I16-F70 HydrophobicContact CD1-CG 3.69Å; I16-F70 HydrophobicContact CD1-CZ 4.34Å; I16-F70 HydrophobicContact CG1-CB 4.13Å; I16-F70 HydrophobicContact CG1-CD1 4.08Å; I16-F70 HydrophobicContact CG1-CD2 4.13Å; I16-F70 HydrophobicContact CG1-CG 3.84Å; I16-F70 HydrophobicContact CG2-CE1 4.25Å; I16-F70 HydrophobicContact CG2-CZ 4.4Å; I16-T73 HydrophobicContact CD1-CG2 4.27Å; I16-T73 HydrophobicContact CG1-CG2 4.29Å; I16-I75 HydrophobicContact CD1-CB 4.48Å; I16-I75 HydrophobicContact CD1-CD1 3.56Å; I16-I75 HydrophobicContact CD1-CG2 4.44Å
17S90.4Very high86.3Confident44 Ų4483.5 Ų83.531%0.30846%0.456SS..  trans-62.2147.1175.8-55.30000111.3R19 H20S17-R19 VanDerWaalsContact C-N 3.33Å; S17-R19 PolarHBondContact O-N 3.34Å; S17-H20 PolarHBondContact N-ND1 3.05Å; S17-H20 WeakPolarHBondContact O-CB 3.17Å; S17-H20 PolarHBondContact O-N 3.04Å
18R86.7Confident85Confident216 Ų21684.7 Ų84.782%0.81546%0.456SS*.THydrogen-bonded Turntrans-53-46.4-179-75.3-175.1-78.5-179.9-3.4113V6V6-R18 WeakPolarHBondContact CG1-O 3.03Å
19R90.8Very high83.4Confident137 Ų13786.4 Ų86.452%0.51746%0.462SS..THydrogen-bonded Turntrans-10281.5163.1-65.4-177.1-177.7-81.2-7.3108.5S5 V6 S17 L41S5-R19 PolarHBondContact O-NH1 3.34Å; S5-R19 PolarHBondContact O-NH2 3.3Å; V6-R19 HydrophobicContact CG1-CG 4.43Å; S17-R19 VanDerWaalsContact C-N 3.33Å; S17-R19 PolarHBondContact O-N 3.34Å; R19-L41 WeakPolarHBondContact O-CB 3.4Å
20H93.4Very high82Confident7 Ų785.4 Ų85.43%0.03247%0.467CS..  trans-83-48.3178.3-157.9130.9000111.4I16 S17 L41 G42 G45 F70I16-H20 WeakPolarHBondContact CA-ND1 3.41Å; I16-H20 HydrophobicContact CG2-CB 3.86Å; I16-H20 WeakPolarHBondContact CG2-ND1 3.23Å; S17-H20 PolarHBondContact N-ND1 3.05Å; S17-H20 WeakPolarHBondContact O-CB 3.17Å; S17-H20 PolarHBondContact O-N 3.04Å; H20-L41 CarbonylContact O-C 3.52Å; H20-L41 WeakPolarHBondContact O-CA 3.34Å; H20-L41 PolarHBondContact O-N 3.46Å; H20-G42 PolarHBondContact O-N 3.26Å; H20-G45 PolarHBondContact NE2-O 2.96Å; H20-F70 HydrophobicContact CB-CE1 4.25Å; H20-F70 AromaticContact CD2-CE1 3.91Å; H20-F70 AromaticContact CE1-CD1 3.59Å; H20-F70 AromaticContact CG-CE1 3.73Å; H20-F70 AromaticContact ND1-CD1 3.73Å; H20-F70 AromaticContact ND1-CE1 3.76Å; H20-F70 AromaticContact NE2-CD1 3.89Å
21L94.3Very high80.7Confident41 Ų4185.5 Ų85.522%0.21548%0.475CS..EExtended strand (participates in β ladder)trans-126.4156.9-175.1-59179000108.2L38 C40 V46 F68 F70L21-L38 HydrophobicContact CB-CD1 4.03Å; L21-L38 HydrophobicContact CD1-CD1 4.29Å; L21-L38 HydrophobicContact CD2-CD1 4.28Å; L21-L38 HydrophobicContact CG-CD1 4.41Å; L21-C40 HydrophobicContact CD2-CB 4.34Å; L21-V46 HydrophobicContact CD1-CG2 4.17Å; L21-V46 HydrophobicContact CD2-CB 3.98Å; L21-V46 HydrophobicContact CD2-CG1 3.61Å; L21-V46 HydrophobicContact CD2-CG2 4.48Å; L21-F68 HydrophobicContact CD1-CD2 4.37Å; L21-F68 HydrophobicContact CD1-CG 4.47Å; L21-F70 HydrophobicContact CD1-CE1 3.73Å; L21-F70 HydrophobicContact CD1-CZ 3.71Å; L21-F70 HydrophobicContact CG-CE1 4.01Å; L21-F70 HydrophobicContact CG-CZ 4.36Å
22E93.9Very high79.5Confident69 Ų6986.5 Ų86.532%0.32248%0.484SS..EExtended strand (participates in β ladder)trans-143.5126174.7178.3-171.8-120.800106R39 L41E22-R39 HydrophobicContact CB-CB 4.49Å; E22-R39 VanDerWaalsContact CD-NH2 3.33Å; E22-R39 PolarHBondContact N-O 2.84Å; E22-R39 VanDerWaalsContact N-O 3.12Å; E22-R39 PolarHBondContact O-N 3.34Å; E22-R39 IonicContact OE1-NH2 3.08Å; E22-R39 PolarHBondContact OE1-NH2 3.37Å; E22-R39 IonicContact OE2-CZ 2.98Å; E22-R39 IonicContact OE2-NE 2.69Å; E22-R39 PolarHBondContact OE2-NE 2.85Å; E22-R39 IonicContact OE2-NH2 2.72Å; E22-R39 PolarHBondContact OE2-NH2 3.37Å; E22-L41 HydrophobicContact CB-CD1 4.06Å
23I93.1Very high78.6Confident73 Ų7380.3 Ų80.337%0.37446%0.462SS..EExtended strand (participates in β ladder)trans-110127.2175.2-58.5172.5000106.3F36 Y37 L38 L62 F68 F79I23-F36 HydrophobicContact CG2-CB 4.36Å; I23-F36 HydrophobicContact CG2-CD1 3.92Å; I23-Y37 WeakPolarHBondContact CA-O 3.48Å; I23-L38 HydrophobicContact CD1-CD1 4.36Å; I23-L38 HydrophobicContact CG1-CD1 3.63Å; I23-L62 HydrophobicContact CD1-CD1 4.29Å; I23-L62 HydrophobicContact CG1-CD1 4.32Å; I23-L62 HydrophobicContact CG2-CD1 4.06Å; I23-F68 HydrophobicContact CD1-CE2 3.71Å; I23-F68 HydrophobicContact CD1-CZ 3.94Å; I23-F79 HydrophobicContact CD1-CD2 4.03Å; I23-F79 HydrophobicContact CD1-CE2 4.39Å; I23-F79 HydrophobicContact CG2-CE2 4.38Å
24F91.1Very high78.2Confident73 Ų7386.3 Ų86.332%0.3248%0.479SS..EExtended strand (participates in β ladder)trans-135.7156.8178.866.5-82.2000109.4Y37 R39 P59F24-Y37 WeakPolarHBondContact CD1-O 3.35Å; F24-Y37 HydrophobicContact CE2-CD2 4.48Å; F24-Y37 HydrophobicContact CE2-CG 4.35Å; F24-Y37 HydrophobicContact CZ-CG 4.27Å; F24-Y37 PolarHBondContact N-O 2.84Å; F24-Y37 PolarHBondContact O-N 2.9Å; F24-R39 HydrophobicContact CE1-CB 4.17Å; F24-P59 HydrophobicContact CE1-CB 3.91Å; F24-P59 HydrophobicContact CE1-CG 4.18Å; F24-P59 HydrophobicContact CZ-CB 3.66Å; F24-P59 HydrophobicContact CZ-CG 3.82Å
25T88.6Confident78.2Confident56 Ų5685.5 Ų85.534%0.34446%0.464SS..EExtended strand (participates in β ladder)trans-98.2134.8169.349.70000109.1R34 E35 F36T25-R34 HydrophobicContact CG2-CB 4.19Å; T25-E35 VanDerWaalsContact CA-O 3.27Å; T25-E35 WeakPolarHBondContact CA-O 3.44Å; T25-F36 HydrophobicContact CG2-CD1 3.67Å; T25-F36 HydrophobicContact CG2-CE1 3.69Å; T25-F36 HydrophobicContact CG2-CG 4.11Å; T25-F36 HydrophobicContact CG2-CZ 4.13Å
26A78.2Confident78.4Confident49 Ų4983.2 Ų83.241%0.40545%0.454SS..EExtended strand (participates in β ladder)trans-87.3136.7166.100000108.7E35 Y37A26-E35 PolarHBondContact N-O 2.85Å; A26-Y37 HydrophobicContact CB-CD2 3.84Å; A26-Y37 HydrophobicContact CB-CE2 3.51Å
27G64.7Low78.5Confident44 Ų4484.9 Ų84.945%0.45446%0.459SS..  trans89.3140170.300000116.8D29G27-D29 WeakPolarHBondContact CA-OD1 3.38Å
28E58.8Low78.7Confident191 Ų19182.8 Ų82.889%0.89345%0.445SS*.  trans-122.921.9163-156.5-179.5154.100109.9G30E28-G30 PolarHBondContact O-N 2.74Å
29D52.8Low79.2Confident137 Ų13777.8 Ų77.873%0.73343%0.426SS*.SBendtrans-78.849.4-169.230.1-70.3000113.8G27 S31G27-D29 WeakPolarHBondContact CA-OD1 3.38Å; D29-S31 PolarHBondContact O-N 3Å
30G55.6Low79.4Confident76 Ų7671.3 Ų71.378%0.78440%0.402SS*.SBendtrans65.8-8.6163.400000117.3E28E28-G30 PolarHBondContact O-N 2.74Å
31S56.5Low79.4Confident69 Ų6973.8 Ų73.848%0.48342%0.415SS..  trans-85.9130.8175.1-170.60000110.6D29 T33D29-S31 PolarHBondContact O-N 3Å; S31-T33 PolarHBondContact O-N 3.41Å; S31-T33 PolarHBondContact OG-OG1 3.36Å
32G56.8Low79.4Confident69 Ų6971.8 Ų71.871%0.71140%0.404SS*.SBendtrans-64.6-8.9-177.400000115.3R34G32-R34 PolarHBondContact O-N 3.09Å
33T59.6Low79.3Confident83 Ų8376 Ų7651%0.50942%0.422SS..  trans-83.981.2179.551.80000111.5S31 E35S31-T33 PolarHBondContact O-N 3.41Å; S31-T33 PolarHBondContact OG-OG1 3.36Å; T33-E35 PolarHBondContact O-N 3.12Å
34R72.3Confident79.3Confident163 Ų16374.7 Ų74.762%0.61542%0.415SS*.  trans-64.9102.9167.5-80.5-173.2174.9177-1.5110.4T25 G32 F36T25-R34 HydrophobicContact CG2-CB 4.19Å; G32-R34 PolarHBondContact O-N 3.09Å; R34-F36 WeakPolarHBondContact O-CD2 3.17Å
35E85.8Confident79.5Confident84 Ų8471.2 Ų71.239%0.39340%0.4SS..EExtended strand (participates in β ladder)trans-80.5129.1174.3-58.2-158141.400110.6T25 A26 T33 Y37 Q61T25-E35 VanDerWaalsContact CA-O 3.27Å; T25-E35 WeakPolarHBondContact CA-O 3.44Å; A26-E35 PolarHBondContact N-O 2.85Å; T33-E35 PolarHBondContact O-N 3.12Å; E35-Y37 HydrophobicContact CB-CE2 3.8Å; E35-Y37 PolarHBondContact OE2-OH 2.86Å; E35-Q61 PolarHBondContact OE1-NE2 2.91Å; E35-Q61 PolarHBondContact OE2-NE2 2.94Å
36F91.8Very high79.9Confident52 Ų5268.6 Ų68.623%0.22838%0.384CS..EExtended strand (participates in β ladder)trans-97.1138.9179.9-69.1-93.4000110.6I23 T25 R34 L62 F79 A81I23-F36 HydrophobicContact CG2-CB 4.36Å; I23-F36 HydrophobicContact CG2-CD1 3.92Å; T25-F36 HydrophobicContact CG2-CD1 3.67Å; T25-F36 HydrophobicContact CG2-CE1 3.69Å; T25-F36 HydrophobicContact CG2-CG 4.11Å; T25-F36 HydrophobicContact CG2-CZ 4.13Å; R34-F36 WeakPolarHBondContact O-CD2 3.17Å; F36-L62 HydrophobicContact CB-CB 4.17Å; F36-L62 HydrophobicContact CB-CD1 4.29Å; F36-L62 PolarHBondContact O-N 3.09Å; F36-F79 HydrophobicContact CB-CE1 4.43Å; F36-F79 HydrophobicContact CB-CZ 3.83Å; F36-F79 HydrophobicContact CD1-CE2 4.18Å; F36-F79 AromaticContact CD1-CZ 3.9Å; F36-F79 HydrophobicContact CD1-CZ 3.9Å; F36-F79 AromaticContact CD2-CZ 3.9Å; F36-F79 HydrophobicContact CD2-CZ 3.9Å; F36-F79 HydrophobicContact CE1-CZ 4.42Å; F36-F79 HydrophobicContact CE2-CZ 4.43Å; F36-F79 HydrophobicContact CG-CE2 4.34Å; F36-F79 AromaticContact CG-CZ 3.61Å; F36-F79 HydrophobicContact CG-CZ 3.61Å; F36-A81 HydrophobicContact CD2-CB 3.92Å; F36-A81 HydrophobicContact CE2-CB 3.75Å
37Y93.6Very high80.7Confident50 Ų5069 Ų6920%0.19638%0.377CS..EExtended strand (participates in β ladder)trans-128.3141.5179.3-67.1-94.4000111I23 F24 A26 E35 P59 L60 Q61I23-Y37 WeakPolarHBondContact CA-O 3.48Å; F24-Y37 WeakPolarHBondContact CD1-O 3.35Å; F24-Y37 HydrophobicContact CE2-CD2 4.48Å; F24-Y37 HydrophobicContact CE2-CG 4.35Å; F24-Y37 HydrophobicContact CZ-CG 4.27Å; F24-Y37 PolarHBondContact N-O 2.84Å; F24-Y37 PolarHBondContact O-N 2.9Å; A26-Y37 HydrophobicContact CB-CD2 3.84Å; A26-Y37 HydrophobicContact CB-CE2 3.51Å; E35-Y37 HydrophobicContact CB-CE2 3.8Å; E35-Y37 PolarHBondContact OE2-OH 2.86Å; Y37-P59 HydrophobicContact CD1-CB 4.37Å; Y37-L60 CarbonylContact C-O 3.6Å; Y37-L60 WeakPolarHBondContact CA-O 2.98Å; Y37-Q61 HydrophobicContact CD1-CB 3.93Å; Y37-Q61 HydrophobicContact CD1-CG 4.35Å; Y37-Q61 HydrophobicContact CE1-CB 3.67Å; Y37-Q61 HydrophobicContact CE1-CG 3.87Å
38L95.3Very high82.2Confident0 Ų067.2 Ų67.20%036%0.357CS..EExtended strand (participates in β ladder)trans-109.8118.7-179.8-177.776.3000111.2L21 I23 V46 V48 P59 L60 L62 F68L21-L38 HydrophobicContact CB-CD1 4.03Å; L21-L38 HydrophobicContact CD1-CD1 4.29Å; L21-L38 HydrophobicContact CD2-CD1 4.28Å; L21-L38 HydrophobicContact CG-CD1 4.41Å; I23-L38 HydrophobicContact CD1-CD1 4.36Å; I23-L38 HydrophobicContact CG1-CD1 3.63Å; L38-V46 HydrophobicContact CD2-CG1 4.15Å; L38-V48 HydrophobicContact CD2-CG2 3.51Å; L38-P59 WeakPolarHBondContact O-CA 3.45Å; L38-L60 PolarHBondContact N-O 3.06Å; L38-L60 PolarHBondContact O-N 2.98Å; L38-L62 HydrophobicContact CB-CD1 4.13Å; L38-L62 HydrophobicContact CB-CD2 3.7Å; L38-L62 HydrophobicContact CB-CG 3.96Å; L38-L62 HydrophobicContact CD2-CD2 4.26Å; L38-F68 HydrophobicContact CD1-CZ 4.32Å; L38-F68 HydrophobicContact CD2-CD1 4.26Å; L38-F68 HydrophobicContact CD2-CE1 3.99Å
39R95.4Very high83.9Confident111 Ų11162.6 Ų62.642%0.41934%0.338SS..EExtended strand (participates in β ladder)trans-99.7126.2168.6-172.4159.563.7168.2-2.3110.2E22 F24 L41E22-R39 HydrophobicContact CB-CB 4.49Å; E22-R39 VanDerWaalsContact CD-NH2 3.33Å; E22-R39 PolarHBondContact N-O 2.84Å; E22-R39 VanDerWaalsContact N-O 3.12Å; E22-R39 PolarHBondContact O-N 3.34Å; E22-R39 IonicContact OE1-NH2 3.08Å; E22-R39 PolarHBondContact OE1-NH2 3.37Å; E22-R39 IonicContact OE2-CZ 2.98Å; E22-R39 IonicContact OE2-NE 2.69Å; E22-R39 PolarHBondContact OE2-NE 2.85Å; E22-R39 IonicContact OE2-NH2 2.72Å; E22-R39 PolarHBondContact OE2-NH2 3.37Å; F24-R39 HydrophobicContact CE1-CB 4.17Å; R39-L41 HydrophobicContact CG-CD2 3.94Å; R39-L41 HydrophobicContact CG-CG 4.46Å
40C96Very high85.7Confident1 Ų158.8 Ų58.81%0.00733%0.331CS..EExtended strand (participates in β ladder)trans-92.6116.8175.3-168.40000110.8L21 Q53 R55 G56L21-C40 HydrophobicContact CD2-CB 4.34Å; C40-Q53 HydrophobicContact CB-CG 3.82Å; C40-R55 WeakPolarHBondContact O-CA 3.42Å; C40-G56 PolarHBondContact O-N 3.08Å
41L94Very high87.5Confident58 Ų5859.7 Ų59.730%0.30432%0.322SS..  trans-107.4-24.7-177.5-59.1176.3000112.5R19 H20 E22 R39 R55R19-L41 WeakPolarHBondContact O-CB 3.4Å; H20-L41 CarbonylContact O-C 3.52Å; H20-L41 WeakPolarHBondContact O-CA 3.34Å; H20-L41 PolarHBondContact O-N 3.46Å; E22-L41 HydrophobicContact CB-CD1 4.06Å; R39-L41 HydrophobicContact CG-CD2 3.94Å; R39-L41 HydrophobicContact CG-CG 4.46Å; L41-R55 VanDerWaalsContact O-CD 3.25Å; L41-R55 WeakPolarHBondContact O-CD 3.47Å; L41-R55 WeakPolarHBondContact O-CG 3.33Å; L41-R55 PolarHBondContact O-NE 2.79Å
42G92.8Very high89.4Confident0 Ų061.2 Ų61.20%032%0.32CS..SBendtrans-77.4136.8-178.700000113.5H20 N44 G45H20-G42 PolarHBondContact O-N 3.26Å; G42-N44 PolarHBondContact O-N 3.12Å; G42-N44 VanDerWaalsContact O-N 3.07Å; G42-G45 PolarHBondContact O-N 3.14Å
43K92.4Very high91.2Very high157 Ų15758.9 Ų58.968%0.68329%0.291SS*.THydrogen-bonded Turntrans-60-21.2-173.663.9163.6-169.4175.70115.8
44N93.3Very high92.9Very high45 Ų4563.2 Ų63.224%0.24130%0.297CS..THydrogen-bonded Turntrans-91.4-9.5-175.3-63.2-24.3000112.8F15 G42F15-N44 PolarHBondContact O-ND2 2.9Å; G42-N44 PolarHBondContact O-N 3.12Å; G42-N44 VanDerWaalsContact O-N 3.07Å
45G94.8Very high94Very high1 Ų163.6 Ų63.61%0.0130%0.299CS..  trans68.9178.4-173.500000114.3H20 G42 Q53 P71H20-G45 PolarHBondContact NE2-O 2.96Å; G42-G45 PolarHBondContact O-N 3.14Å; G45-Q53 VanDerWaalsContact CA-O 3.23Å; G45-Q53 WeakPolarHBondContact CA-O 3.35Å; G45-P71 VanDerWaalsContact O-CD 3.23Å; G45-P71 WeakPolarHBondContact O-CD 3.46Å
46V96.7Very high94.3Very high0 Ų062.9 Ų62.90%032%0.315CS..EExtended strand (participates in β ladder)trans-139.3147.8177.968.20000110L21 L38 V48 Q53 F68 F70L21-V46 HydrophobicContact CD1-CG2 4.17Å; L21-V46 HydrophobicContact CD2-CB 3.98Å; L21-V46 HydrophobicContact CD2-CG1 3.61Å; L21-V46 HydrophobicContact CD2-CG2 4.48Å; L38-V46 HydrophobicContact CD2-CG1 4.15Å; V46-V48 HydrophobicContact CG1-CG2 4.17Å; V46-Q53 HydrophobicContact CG1-CB 4.05Å; V46-Q53 PolarHBondContact N-O 2.86Å; V46-Q53 PolarHBondContact O-N 3.11Å; V46-F68 HydrophobicContact CG2-CB 3.99Å; V46-F70 HydrophobicContact CB-CD1 4.44Å; V46-F70 HydrophobicContact CG2-CD1 4.13Å; V46-F70 HydrophobicContact CG2-CE1 4.17Å
47F96.6Very high94.4Very high59 Ų5961 Ų6126%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-91129.8164.4-66.4-82000109.7G50 V51 F52 F68 R69 P71F47-G50 WeakPolarHBondContact CD1-O 3.39Å; F47-V51 CarbonylContact C-O 3.51Å; F47-V51 VanDerWaalsContact CA-O 3.28Å; F47-V51 WeakPolarHBondContact CA-O 3.39Å; F47-F52 HydrophobicContact CD1-CB 3.84Å; F47-F52 HydrophobicContact CD1-CD2 4.04Å; F47-F52 HydrophobicContact CD1-CG 4.43Å; F47-F52 HydrophobicContact CD2-CD2 4.38Å; F47-F52 HydrophobicContact CE1-CB 3.7Å; F47-F52 AromaticContact CE1-CD2 3.89Å; F47-F52 HydrophobicContact CE1-CD2 3.89Å; F47-F52 HydrophobicContact CE1-CG 4.16Å; F47-F52 HydrophobicContact CE2-CD2 4.24Å; F47-F52 HydrophobicContact CG-CD2 4.3Å; F47-F52 AromaticContact CZ-CD2 3.99Å; F47-F52 HydrophobicContact CZ-CD2 3.99Å; F47-F68 CarbonylContact O-C 3.59Å; F47-F68 VanDerWaalsContact O-CA 3.31Å; F47-F68 WeakPolarHBondContact O-CA 3.4Å; F47-R69 HydrophobicContact CB-CB 4.34Å; F47-R69 PolarHBondContact N-O 3.24Å; F47-R69 PolarHBondContact O-N 3.39Å; F47-P71 HydrophobicContact CD2-CB 4.42Å; F47-P71 HydrophobicContact CD2-CG 3.93Å; F47-P71 HydrophobicContact CE2-CB 3.83Å; F47-P71 HydrophobicContact CE2-CG 3.65Å
48V96.3Very high94.4Very high6 Ų663.7 Ų63.74%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-112.1111.1170.2-172.10000107.1L38 V46 G50 V51 L60 L62 C66 C67 F68L38-V48 HydrophobicContact CD2-CG2 3.51Å; V46-V48 HydrophobicContact CG1-CG2 4.17Å; V48-G50 PolarHBondContact O-N 2.88Å; V48-V51 PolarHBondContact N-O 3.02Å; V48-V51 WeakPolarHBondContact O-CB 3.47Å; V48-V51 PolarHBondContact O-N 3.17Å; V48-L60 HydrophobicContact CB-CD2 3.89Å; V48-L60 HydrophobicContact CG1-CD2 4.15Å; V48-L60 HydrophobicContact CG2-CD2 3.84Å; V48-L62 HydrophobicContact CG1-CD2 4.19Å; V48-C66 HydrophobicContact CG1-CB 4.08Å; V48-C67 WeakPolarHBondContact CA-O 3.25Å; V48-F68 HydrophobicContact CB-CD1 4.42Å; V48-F68 HydrophobicContact CG1-CD1 4.04Å; V48-F68 HydrophobicContact CG1-CE1 4Å; V48-F68 HydrophobicContact CG2-CD1 3.92Å; V48-F68 HydrophobicContact CG2-CE1 4.27Å
49D93.9Very high94.3Very high93 Ų9366.6 Ų66.650%0.49735%0.351SS..THydrogen-bonded Turntrans49.827.7-173.8-60.1-36.8000115C66 C67D49-C66 VanDerWaalsContact OD2-CA 3.28Å; D49-C66 WeakPolarHBondContact OD2-CA 3.47Å; D49-C66 WeakPolarHBondContact OD2-CB 3.43Å; D49-C67 PolarHBondContact N-O 2.83Å; D49-C67 PolarHBondContact OD1-N 3.24Å
50G90.1Very high94.3Very high57 Ų5763.9 Ų63.959%0.58834%0.344SS*.THydrogen-bonded Turntrans97.2-14.7-177.800000115F47 V48F47-G50 WeakPolarHBondContact CD1-O 3.39Å; V48-G50 PolarHBondContact O-N 2.88Å
51V93.5Very high94.1Very high96 Ų9668.4 Ų68.458%0.58237%0.366SS*.EExtended strand (participates in β ladder)trans-77.9126.6173.4-175.70000109.8F47 V48 Q53F47-V51 CarbonylContact C-O 3.51Å; F47-V51 VanDerWaalsContact CA-O 3.28Å; F47-V51 WeakPolarHBondContact CA-O 3.39Å; V48-V51 PolarHBondContact N-O 3.02Å; V48-V51 WeakPolarHBondContact O-CB 3.47Å; V48-V51 PolarHBondContact O-N 3.17Å; V51-Q53 PolarHBondContact O-N 3.26Å
52F95.8Very high94.1Very high101 Ų10166.4 Ų66.444%0.44336%0.355SS..EExtended strand (participates in β ladder)trans-86.8112-177.4-176.5-111.5000112.9F47 R54 P71F47-F52 HydrophobicContact CD1-CB 3.84Å; F47-F52 HydrophobicContact CD1-CD2 4.04Å; F47-F52 HydrophobicContact CD1-CG 4.43Å; F47-F52 HydrophobicContact CD2-CD2 4.38Å; F47-F52 HydrophobicContact CE1-CB 3.7Å; F47-F52 AromaticContact CE1-CD2 3.89Å; F47-F52 HydrophobicContact CE1-CD2 3.89Å; F47-F52 HydrophobicContact CE1-CG 4.16Å; F47-F52 HydrophobicContact CE2-CD2 4.24Å; F47-F52 HydrophobicContact CG-CD2 4.3Å; F47-F52 AromaticContact CZ-CD2 3.99Å; F47-F52 HydrophobicContact CZ-CD2 3.99Å; F52-R54 HydrophobicContact CE1-CB 4.07Å; F52-P71 HydrophobicContact CD2-CG 4.41Å; F52-P71 HydrophobicContact CE2-CG 3.78Å
53Q95.9Very high94Very high20 Ų2069.7 Ų69.79%0.09338%0.376CS..EExtended strand (participates in β ladder)trans-94.7114.5174.8-174.468.1-20.200110.5C40 G45 V46 V51 P58C40-Q53 HydrophobicContact CB-CG 3.82Å; G45-Q53 VanDerWaalsContact CA-O 3.23Å; G45-Q53 WeakPolarHBondContact CA-O 3.35Å; V46-Q53 HydrophobicContact CG1-CB 4.05Å; V46-Q53 PolarHBondContact N-O 2.86Å; V46-Q53 PolarHBondContact O-N 3.11Å; V51-Q53 PolarHBondContact O-N 3.26Å; Q53-P58 PolarHBondContact NE2-O 3.39Å
54R95.9Very high93.9Very high173 Ų17368.3 Ų68.365%0.65337%0.367SS*.  trans-85.8157.6178.665.1178.9178.1175.5-0.1112.4F52 G56 A57F52-R54 HydrophobicContact CE1-CB 4.07Å; R54-G56 PolarHBondContact O-N 3.31Å; R54-A57 HydrophobicContact CG-CB 3.83Å; R54-A57 WeakPolarHBondContact O-CB 3.34Å; R54-A57 PolarHBondContact O-N 2.85Å
55R95.1Very high93.9Very high171 Ų17172 Ų7265%0.64538%0.384SS*.THydrogen-bonded Turntrans-55.2129.3172.6-173.9178.2-172.6-120.2-2.9110.6C40 L41 A57C40-R55 WeakPolarHBondContact O-CA 3.42Å; L41-R55 VanDerWaalsContact O-CD 3.25Å; L41-R55 WeakPolarHBondContact O-CD 3.47Å; L41-R55 WeakPolarHBondContact O-CG 3.33Å; L41-R55 PolarHBondContact O-NE 2.79Å; R55-A57 VanDerWaalsContact C-N 3.27Å; R55-A57 PolarHBondContact O-N 3.17Å
56G91.4Very high93.9Very high70 Ų7072.1 Ų72.172%0.72239%0.385SS*.THydrogen-bonded Turntrans7310.2177.200000115.7C40 R54C40-G56 PolarHBondContact O-N 3.08Å; R54-G56 PolarHBondContact O-N 3.31Å
57A93.6Very high93.8Very high13 Ų1373.8 Ų73.811%0.10740%0.396CS..SBendtrans-67.3157.1160.900000110.7R54 R55R54-A57 HydrophobicContact CG-CB 3.83Å; R54-A57 WeakPolarHBondContact O-CB 3.34Å; R54-A57 PolarHBondContact O-N 2.85Å; R55-A57 VanDerWaalsContact C-N 3.27Å; R55-A57 PolarHBondContact O-N 3.17Å
58P93.5Very high93.8Very high106 Ų10671.2 Ų71.269%0.68839%0.385SS*.PPolyproline II helixtrans-53.3148173.9-25.835.2000112.1Q53 L60Q53-P58 PolarHBondContact NE2-O 3.39Å; P58-L60 PolarHBondContact O-N 3.19Å
59P94Very high93.8Very high61 Ų6176.5 Ų76.540%0.39640%0.404SS..PPolyproline II helixtrans-54.3129.1178-25.334.9000112.1F24 Y37 L38F24-P59 HydrophobicContact CE1-CB 3.91Å; F24-P59 HydrophobicContact CE1-CG 4.18Å; F24-P59 HydrophobicContact CZ-CB 3.66Å; F24-P59 HydrophobicContact CZ-CG 3.82Å; Y37-P59 HydrophobicContact CD1-CB 4.37Å; L38-P59 WeakPolarHBondContact O-CA 3.45Å
60L93.8Very high93.9Very high53 Ų5372.3 Ų72.328%0.27738%0.382SS..EExtended strand (participates in β ladder)trans-88120.2179.7177.664.7000109.1Y37 L38 V48 P58 L62Y37-L60 CarbonylContact C-O 3.6Å; Y37-L60 WeakPolarHBondContact CA-O 2.98Å; L38-L60 PolarHBondContact N-O 3.06Å; L38-L60 PolarHBondContact O-N 2.98Å; V48-L60 HydrophobicContact CB-CD2 3.89Å; V48-L60 HydrophobicContact CG1-CD2 4.15Å; V48-L60 HydrophobicContact CG2-CD2 3.84Å; P58-L60 PolarHBondContact O-N 3.19Å; L60-L62 PolarHBondContact O-N 2.72Å
61Q93.7Very high93.9Very high97 Ų9771.5 Ų71.545%0.45337%0.366SS..EExtended strand (participates in β ladder)trans-61.7130.1170.6-166.4-178.38.800109.4E35 Y37E35-Q61 PolarHBondContact OE1-NE2 2.91Å; E35-Q61 PolarHBondContact OE2-NE2 2.94Å; Y37-Q61 HydrophobicContact CD1-CB 3.93Å; Y37-Q61 HydrophobicContact CD1-CG 4.35Å; Y37-Q61 HydrophobicContact CE1-CB 3.67Å; Y37-Q61 HydrophobicContact CE1-CG 3.87Å
62L93Very high93.8Very high15 Ų1570.1 Ų70.18%0.07936%0.361CS..PPolyproline II helixtrans-93.2129.7-176.8-66.6-176.7000111I23 F36 L38 V48 L60 F68 F79I23-L62 HydrophobicContact CD1-CD1 4.29Å; I23-L62 HydrophobicContact CG1-CD1 4.32Å; I23-L62 HydrophobicContact CG2-CD1 4.06Å; F36-L62 HydrophobicContact CB-CB 4.17Å; F36-L62 HydrophobicContact CB-CD1 4.29Å; F36-L62 PolarHBondContact O-N 3.09Å; L38-L62 HydrophobicContact CB-CD1 4.13Å; L38-L62 HydrophobicContact CB-CD2 3.7Å; L38-L62 HydrophobicContact CB-CG 3.96Å; L38-L62 HydrophobicContact CD2-CD2 4.26Å; V48-L62 HydrophobicContact CG1-CD2 4.19Å; L60-L62 PolarHBondContact O-N 2.72Å; L62-F68 HydrophobicContact CD1-CE1 4.3Å; L62-F68 HydrophobicContact CD1-CZ 3.8Å; L62-F68 HydrophobicContact CD2-CE1 3.78Å; L62-F68 HydrophobicContact CD2-CZ 4.15Å; L62-F79 HydrophobicContact CB-CD1 4.41Å; L62-F79 HydrophobicContact CB-CE1 4.05Å; L62-F79 HydrophobicContact CD1-CD1 4.12Å; L62-F79 HydrophobicContact CD1-CD2 4.39Å; L62-F79 HydrophobicContact CD1-CE1 4.05Å; L62-F79 HydrophobicContact CD1-CE2 4.32Å; L62-F79 HydrophobicContact CD1-CG 4.3Å; L62-F79 HydrophobicContact CD1-CZ 4.16Å
63P91.1Very high93.5Very high69 Ų6966.5 Ų66.545%0.44835%0.347SS..PPolyproline II helixtrans-58.8161.4165.7-21.332.8000111.8M65P63-M65 PolarHBondContact O-N 3.07Å
64R89.4Confident93.3Very high128 Ų12871.2 Ų71.248%0.48338%0.382SS..SBendtrans-54.2-29.9177.3-164.3-167.8-178.596.67.8112.8T80 A81 S83 D85R64-T80 CarbonylContact O-C 3.54Å; R64-T80 WeakPolarHBondContact O-CA 3.44Å; R64-A81 HydrophobicContact CG-CB 4.04Å; R64-A81 PolarHBondContact NE-O 2.98Å; R64-A81 PolarHBondContact O-N 3.24Å; R64-S83 PolarHBondContact NH2-O 3.01Å; R64-D85 IonicContact CZ-OD2 3.64Å; R64-D85 IonicContact NH1-OD2 2.66Å; R64-D85 PolarHBondContact NH1-OD2 3.49Å; R64-D85 IonicContact NH2-OD2 3.8Å
65M93.1Very high93Very high122 Ų12265.1 Ų65.160%0.60136%0.362SS*.EExtended strand (participates in β ladder)trans-137.7131.2170.9-66.3-179.469.400109.6P63 F79 T80P63-M65 PolarHBondContact O-N 3.07Å; M65-F79 WeakPolarHBondContact CA-O 3.25Å; M65-T80 HydrophobicContact CG-CG2 3.99Å
66C95Very high92.8Very high5 Ų563.9 Ų63.93%0.03436%0.361CS..EExtended strand (participates in β ladder)trans-154.3160.4176.960.80000112V48 D49 F68 F79V48-C66 HydrophobicContact CG1-CB 4.08Å; D49-C66 VanDerWaalsContact OD2-CA 3.28Å; D49-C66 WeakPolarHBondContact OD2-CA 3.47Å; D49-C66 WeakPolarHBondContact OD2-CB 3.43Å; C66-F68 VanDerWaalsContact SG-CE1 3.55Å; C66-F79 PolarHBondContact N-O 3.13Å; C66-F79 PolarHBondContact O-N 2.95Å; C66-F79 VanDerWaalsContact SG-CD1 3.58Å
67C96.1Very high92.9Very high34 Ų3462.9 Ų62.923%0.2334%0.339CS..EExtended strand (participates in β ladder)trans-115.7120.7-179.9-168.60000112.2V48 D49 I77V48-C67 WeakPolarHBondContact CA-O 3.25Å; D49-C67 PolarHBondContact N-O 2.83Å; D49-C67 PolarHBondContact OD1-N 3.24Å; C67-I77 CarbonylContact C-O 3.56Å; C67-I77 WeakPolarHBondContact CA-O 3.28Å
68F96.4Very high93Very high6 Ų667 Ų673%0.02636%0.363CS..EExtended strand (participates in β ladder)trans-88.7129.3171.7-47-39.1000110.6L21 I23 L38 V46 F47 V48 L62 C66 K76 I77 F79L21-F68 HydrophobicContact CD1-CD2 4.37Å; L21-F68 HydrophobicContact CD1-CG 4.47Å; I23-F68 HydrophobicContact CD1-CE2 3.71Å; I23-F68 HydrophobicContact CD1-CZ 3.94Å; L38-F68 HydrophobicContact CD1-CZ 4.32Å; L38-F68 HydrophobicContact CD2-CD1 4.26Å; L38-F68 HydrophobicContact CD2-CE1 3.99Å; V46-F68 HydrophobicContact CG2-CB 3.99Å; F47-F68 CarbonylContact O-C 3.59Å; F47-F68 VanDerWaalsContact O-CA 3.31Å; F47-F68 WeakPolarHBondContact O-CA 3.4Å; V48-F68 HydrophobicContact CB-CD1 4.42Å; V48-F68 HydrophobicContact CG1-CD1 4.04Å; V48-F68 HydrophobicContact CG1-CE1 4Å; V48-F68 HydrophobicContact CG2-CD1 3.92Å; V48-F68 HydrophobicContact CG2-CE1 4.27Å; L62-F68 HydrophobicContact CD1-CE1 4.3Å; L62-F68 HydrophobicContact CD1-CZ 3.8Å; L62-F68 HydrophobicContact CD2-CE1 3.78Å; L62-F68 HydrophobicContact CD2-CZ 4.15Å; C66-F68 VanDerWaalsContact SG-CE1 3.55Å; F68-K76 CarbonylContact O-C 3.52Å; F68-K76 VanDerWaalsContact O-CA 3.26Å; F68-K76 WeakPolarHBondContact O-CA 3.23Å; F68-I77 HydrophobicContact CB-CB 4.33Å; F68-I77 HydrophobicContact CD2-CB 4.17Å; F68-I77 HydrophobicContact CD2-CG2 4.23Å; F68-I77 PolarHBondContact N-O 3.48Å; F68-I77 PolarHBondContact O-N 3.37Å; F68-F79 HydrophobicContact CE1-CB 4.41Å; F68-F79 HydrophobicContact CE2-CB 3.7Å; F68-F79 HydrophobicContact CE2-CG 4.41Å; F68-F79 HydrophobicContact CZ-CB 3.58Å; F68-F79 HydrophobicContact CZ-CD2 4.48Å; F68-F79 HydrophobicContact CZ-CG 4.05Å
69R95.7Very high93Very high117 Ų11763.3 Ų63.344%0.44234%0.336SS..EExtended strand (participates in β ladder)trans-131.5125.5174.8177.7-171.9170.5-140.7-4.7110.7F47 K76F47-R69 HydrophobicContact CB-CB 4.34Å; F47-R69 PolarHBondContact N-O 3.24Å; F47-R69 PolarHBondContact O-N 3.39Å; R69-K76 HydrophobicContact CB-CG 4.4Å; R69-K76 HydrophobicContact CG-CG 4.4Å
70F95.1Very high93Very high5 Ų563.3 Ų63.32%0.02234%0.335CS..  trans-85.4127.1177.9-53.2-86.5000110.6I16 H20 L21 V46 S72 T73 I75 I77I16-F70 HydrophobicContact CD1-CB 4.18Å; I16-F70 HydrophobicContact CD1-CD1 4.27Å; I16-F70 HydrophobicContact CD1-CD2 3.44Å; I16-F70 VanDerWaalsContact CD1-CD2 3.44Å; I16-F70 HydrophobicContact CD1-CE2 3.8Å; I16-F70 HydrophobicContact CD1-CG 3.69Å; I16-F70 HydrophobicContact CD1-CZ 4.34Å; I16-F70 HydrophobicContact CG1-CB 4.13Å; I16-F70 HydrophobicContact CG1-CD1 4.08Å; I16-F70 HydrophobicContact CG1-CD2 4.13Å; I16-F70 HydrophobicContact CG1-CG 3.84Å; I16-F70 HydrophobicContact CG2-CE1 4.25Å; I16-F70 HydrophobicContact CG2-CZ 4.4Å; H20-F70 HydrophobicContact CB-CE1 4.25Å; H20-F70 AromaticContact CD2-CE1 3.91Å; H20-F70 AromaticContact CE1-CD1 3.59Å; H20-F70 AromaticContact CG-CE1 3.73Å; H20-F70 AromaticContact ND1-CD1 3.73Å; H20-F70 AromaticContact ND1-CE1 3.76Å; H20-F70 AromaticContact NE2-CD1 3.89Å; L21-F70 HydrophobicContact CD1-CE1 3.73Å; L21-F70 HydrophobicContact CD1-CZ 3.71Å; L21-F70 HydrophobicContact CG-CE1 4.01Å; L21-F70 HydrophobicContact CG-CZ 4.36Å; V46-F70 HydrophobicContact CB-CD1 4.44Å; V46-F70 HydrophobicContact CG2-CD1 4.13Å; V46-F70 HydrophobicContact CG2-CE1 4.17Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 3.31Å; F70-S72 VanDerWaalsContact O-N 3.12Å; F70-T73 HydrophobicContact CB-CG2 4.42Å; F70-T73 PolarHBondContact O-N 2.78Å; F70-T73 VanDerWaalsContact O-N 3.09Å; F70-T73 PolarHBondContact O-OG1 3.04Å; F70-T73 VanDerWaalsContact O-OG1 3.13Å; F70-I75 HydrophobicContact CD2-CB 4.21Å; F70-I75 HydrophobicContact CD2-CG2 3.82Å; F70-I75 HydrophobicContact CE2-CG2 3.92Å; F70-I77 HydrophobicContact CE2-CD1 3.85Å; F70-I77 HydrophobicContact CE2-CG1 4.39Å; F70-I77 HydrophobicContact CZ-CD1 4.15Å
71P91.7Very high92.8Very high40 Ų4061 Ų6126%0.2632%0.323SS..THydrogen-bonded Turntrans-52.8-41.3-165.9-28.732000115.8G45 F47 F52 T73G45-P71 VanDerWaalsContact O-CD 3.23Å; G45-P71 WeakPolarHBondContact O-CD 3.46Å; F47-P71 HydrophobicContact CD2-CB 4.42Å; F47-P71 HydrophobicContact CD2-CG 3.93Å; F47-P71 HydrophobicContact CE2-CB 3.83Å; F47-P71 HydrophobicContact CE2-CG 3.65Å; F52-P71 HydrophobicContact CD2-CG 4.41Å; F52-P71 HydrophobicContact CE2-CG 3.78Å; P71-T73 VanDerWaalsContact C-N 3.34Å; P71-T73 PolarHBondContact O-N 3.21Å
72S89.4Confident92.3Very high67 Ų6763.5 Ų63.547%0.46934%0.339SS..THydrogen-bonded Turntrans-93.119.5-174.6-45.40000113.9F15 F70F15-S72 VanDerWaalsContact CD1-CB 3.42Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 3.31Å; F70-S72 VanDerWaalsContact O-N 3.12Å
73T91.2Very high91.4Very high25 Ų2564.3 Ų64.315%0.15335%0.346CS..SBendtrans-141.1163.8-177.373.70000112.3F15 I16 F70 P71 I75F15-T73 HydrophobicContact CB-CG2 3.85Å; I16-T73 HydrophobicContact CD1-CG2 4.27Å; I16-T73 HydrophobicContact CG1-CG2 4.29Å; F70-T73 HydrophobicContact CB-CG2 4.42Å; F70-T73 PolarHBondContact O-N 2.78Å; F70-T73 VanDerWaalsContact O-N 3.09Å; F70-T73 PolarHBondContact O-OG1 3.04Å; F70-T73 VanDerWaalsContact O-OG1 3.13Å; P71-T73 VanDerWaalsContact C-N 3.34Å; P71-T73 PolarHBondContact O-N 3.21Å; T73-I75 VanDerWaalsContact C-N 3.28Å; T73-I75 WeakPolarHBondContact OG1-CB 3.44Å; T73-I75 PolarHBondContact OG1-N 3.37Å
74S90.3Very high89.7Confident119 Ų11965.9 Ų65.983%0.83236%0.359SS*.SBendtrans-79.7-7.3165.548.20000113.5K76S74-K76 PolarHBondContact O-N 3.35Å
75I90.3Very high88.2Confident45 Ų4564.8 Ų64.823%0.23136%0.362CS..  trans-66.7126.8-174.6-66.5165.1000110.1M10 I16 F70 T73 I77M10-I75 HydrophobicContact CE-CD1 4.23Å; M10-I75 HydrophobicContact CE-CG2 3.69Å; I16-I75 HydrophobicContact CD1-CB 4.48Å; I16-I75 HydrophobicContact CD1-CD1 3.56Å; I16-I75 HydrophobicContact CD1-CG2 4.44Å; F70-I75 HydrophobicContact CD2-CB 4.21Å; F70-I75 HydrophobicContact CD2-CG2 3.82Å; F70-I75 HydrophobicContact CE2-CG2 3.92Å; T73-I75 VanDerWaalsContact C-N 3.28Å; T73-I75 WeakPolarHBondContact OG1-CB 3.44Å; T73-I75 PolarHBondContact OG1-N 3.37Å; I75-I77 HydrophobicContact CG2-CG1 4.28Å
76K91.9Very high86Confident145 Ų14568.6 Ų68.663%0.6338%0.376SS*.EExtended strand (participates in β ladder)trans-121.6141.4166.9-64.8-177.4-178.1-1790108.7F68 R69 S74F68-K76 CarbonylContact O-C 3.52Å; F68-K76 VanDerWaalsContact O-CA 3.26Å; F68-K76 WeakPolarHBondContact O-CA 3.23Å; R69-K76 HydrophobicContact CB-CG 4.4Å; R69-K76 HydrophobicContact CG-CG 4.4Å; S74-K76 PolarHBondContact O-N 3.35Å
77I93.6Very high83.6Confident49 Ų4977.2 Ų77.225%0.25141%0.412SS..EExtended strand (participates in β ladder)trans-124.4125.4172.2-56.2174.9000106.6M10 C67 F68 F70 I75M10-I77 HydrophobicContact SD-CD1 3.82Å; C67-I77 CarbonylContact C-O 3.56Å; C67-I77 WeakPolarHBondContact CA-O 3.28Å; F68-I77 HydrophobicContact CB-CB 4.33Å; F68-I77 HydrophobicContact CD2-CB 4.17Å; F68-I77 HydrophobicContact CD2-CG2 4.23Å; F68-I77 PolarHBondContact N-O 3.48Å; F68-I77 PolarHBondContact O-N 3.37Å; F70-I77 HydrophobicContact CE2-CD1 3.85Å; F70-I77 HydrophobicContact CE2-CG1 4.39Å; F70-I77 HydrophobicContact CZ-CD1 4.15Å; I75-I77 HydrophobicContact CG2-CG1 4.28Å
78T94.6Very high81.2Confident100 Ų10083.7 Ų83.761%0.61344%0.439SS*.EExtended strand (participates in β ladder)trans-90.8126.1171.5-54.10000108.7
79F93.8Very high78.6Confident27 Ų2788.9 Ų88.912%0.11847%0.474CS..EExtended strand (participates in β ladder)trans-98.3136.9169.4169.5-93000109.2I23 F36 L62 M65 C66 F68 A81I23-F79 HydrophobicContact CD1-CD2 4.03Å; I23-F79 HydrophobicContact CD1-CE2 4.39Å; I23-F79 HydrophobicContact CG2-CE2 4.38Å; F36-F79 HydrophobicContact CB-CE1 4.43Å; F36-F79 HydrophobicContact CB-CZ 3.83Å; F36-F79 HydrophobicContact CD1-CE2 4.18Å; F36-F79 AromaticContact CD1-CZ 3.9Å; F36-F79 HydrophobicContact CD1-CZ 3.9Å; F36-F79 AromaticContact CD2-CZ 3.9Å; F36-F79 HydrophobicContact CD2-CZ 3.9Å; F36-F79 HydrophobicContact CE1-CZ 4.42Å; F36-F79 HydrophobicContact CE2-CZ 4.43Å; F36-F79 HydrophobicContact CG-CE2 4.34Å; F36-F79 AromaticContact CG-CZ 3.61Å; F36-F79 HydrophobicContact CG-CZ 3.61Å; L62-F79 HydrophobicContact CB-CD1 4.41Å; L62-F79 HydrophobicContact CB-CE1 4.05Å; L62-F79 HydrophobicContact CD1-CD1 4.12Å; L62-F79 HydrophobicContact CD1-CD2 4.39Å; L62-F79 HydrophobicContact CD1-CE1 4.05Å; L62-F79 HydrophobicContact CD1-CE2 4.32Å; L62-F79 HydrophobicContact CD1-CG 4.3Å; L62-F79 HydrophobicContact CD1-CZ 4.16Å; M65-F79 WeakPolarHBondContact CA-O 3.25Å; C66-F79 PolarHBondContact N-O 3.13Å; C66-F79 PolarHBondContact O-N 2.95Å; C66-F79 VanDerWaalsContact SG-CD1 3.58Å; F68-F79 HydrophobicContact CE1-CB 4.41Å; F68-F79 HydrophobicContact CE2-CB 3.7Å; F68-F79 HydrophobicContact CE2-CG 4.41Å; F68-F79 HydrophobicContact CZ-CB 3.58Å; F68-F79 HydrophobicContact CZ-CD2 4.48Å; F68-F79 HydrophobicContact CZ-CG 4.05Å; F79-A81 HydrophobicContact CE1-CB 4.04Å; F79-A81 HydrophobicContact CZ-CB 4.04Å
80T93.1Very high76.1Confident61 Ų6193.7 Ų93.737%0.37449%0.492SS..EExtended strand (participates in β ladder)trans-137.4118173.9-60.30000108.5R64 M65 L82R64-T80 CarbonylContact O-C 3.54Å; R64-T80 WeakPolarHBondContact O-CA 3.44Å; M65-T80 HydrophobicContact CG-CG2 3.99Å; T80-L82 HydrophobicContact CG2-CD2 3.98Å; T80-L82 PolarHBondContact O-N 2.88Å
81A89.5Confident73.7Confident5 Ų5100.7 Ų100.74%0.04153%0.53CS..  trans-74.3117.1171.800000110.1F36 R64 F79 S83F36-A81 HydrophobicContact CD2-CB 3.92Å; F36-A81 HydrophobicContact CE2-CB 3.75Å; R64-A81 HydrophobicContact CG-CB 4.04Å; R64-A81 PolarHBondContact NE-O 2.98Å; R64-A81 PolarHBondContact O-N 3.24Å; F79-A81 HydrophobicContact CE1-CB 4.04Å; F79-A81 HydrophobicContact CZ-CB 4.04Å; A81-S83 VanDerWaalsContact C-N 3.3Å
82L84.7Confident71.5Confident149 Ų149105 Ų10578%0.7856%0.555SS**  trans-92.820.3178.5-59.5179.3000112.7T80 S84T80-L82 HydrophobicContact CG2-CD2 3.98Å; T80-L82 PolarHBondContact O-N 2.88Å; L82-S84 PolarHBondContact O-N 3.2Å
83S72.8Confident69.4Low33 Ų33107.5 Ų107.523%0.23157%0.569CS.*  trans-59.8123.9175.827.80000110.5R64 A81 D85R64-S83 PolarHBondContact NH2-O 3.01Å; A81-S83 VanDerWaalsContact C-N 3.3Å; S83-D85 PolarHBondContact O-N 3.07Å
84S56.1Low67.3Low102 Ų102115.1 Ų115.171%0.71360%0.603SS**  trans-79.5105.7179.3-54.90000110.1L82 K86L82-S84 PolarHBondContact O-N 3.2Å; S84-K86 PolarHBondContact O-N 2.79Å
85D57Low64.9Low104 Ų104114.2 Ų114.256%0.55660%0.597SS**  trans-68.875.2169-62.8-86.8000110.6R64 S83 K87R64-D85 IonicContact CZ-OD2 3.64Å; R64-D85 IonicContact NH1-OD2 2.66Å; R64-D85 PolarHBondContact NH1-OD2 3.49Å; R64-D85 IonicContact NH2-OD2 3.8Å; S83-D85 PolarHBondContact O-N 3.07Å; D85-K87 PolarHBondContact O-N 2.83Å
86K47.6Very low63.3Low202 Ų202117.9 Ų117.988%0.87862%0.624SS**  trans-69.267.3158.5-79.5-165.5172.7-171.90108.7S84 E88S84-K86 PolarHBondContact O-N 2.79Å; K86-E88 VanDerWaalsContact C-N 3.28Å; K86-E88 PolarHBondContact O-N 2.98Å
87K45.5Very low61Low186 Ų186116.7 Ų116.781%0.80963%0.628SS**  trans-75.283.2174.9-172.1179.3-178.3179.10108.7D85D85-K87 PolarHBondContact O-N 2.83Å
88E45.5Very low59Low170 Ų170123.4 Ų123.479%0.79466%0.656SS**  trans-54.6138.7153.2-82.2-164.7119.300108.7K86 R90K86-E88 VanDerWaalsContact C-N 3.28Å; K86-E88 PolarHBondContact O-N 2.98Å; E88-R90 PolarHBondContact O-N 2.83Å
89P41.7Very low56.3Low115 Ų115124.7 Ų124.775%0.74767%0.666SS**  trans-72.382.3172.931-33.6000109.1N91P89-N91 PolarHBondContact O-N 3.41Å
90R41.9Very low53.8Low219 Ų219130.1 Ų130.183%0.82670%0.701SS**  trans-56.4108.7171.3-179.8177.4-73.9172.6-3.6108.3E88 V92E88-R90 PolarHBondContact O-N 2.83Å; R90-V92 PolarHBondContact O-N 3.06Å
91N46.3Very low51.4Low152 Ų152133.9 Ų133.981%0.81371%0.714SS**PPolyproline II helixtrans-52.4136.5176.5-87.3-67.5000110.2P89 P93P89-N91 PolarHBondContact O-N 3.41Å; N91-P93 WeakPolarHBondContact O-CD 3.16Å
92V44.2Very low49.1Very low131 Ų131139.4 Ų139.479%0.79475%0.75SS**PPolyproline II helixtrans-80.9122.5178.1-175.70000108.1R90 E94R90-V92 PolarHBondContact O-N 3.06Å; V92-E94 PolarHBondContact O-N 3.4Å
93P46.1Very low47.3Very low118 Ų118139.3 Ų139.377%0.76675%0.745SS**PPolyproline II helixtrans-66.3121.6168.8-17.632.2000109.3N91 S95N91-P93 WeakPolarHBondContact O-CD 3.16Å; P93-S95 PolarHBondContact O-N 3.07Å
94E47.4Very low46Very low185 Ų185145.5 Ų145.586%0.86477%0.774SS**PPolyproline II helixtrans-66.6127.3177.2-170.5175.3166.100110.2V92V92-E94 PolarHBondContact O-N 3.4Å
95S39.9Very low45.2Very low100 Ų100145 Ų14570%0.69977%0.771SS**  trans-102112.2-179-172.80000110.3P93 V97P93-S95 PolarHBondContact O-N 3.07Å; S95-V97 PolarHBondContact O-N 3.24Å
96P55.6Low44.6Very low123 Ų123146 Ų14680%0.79978%0.783SS**  trans-87.175.8-165.434.7-37.1000112.9
97V44.3Very low44.2Very low120 Ų120144.4 Ų144.473%0.72778%0.783SS**  trans-126.1109.6171.8-173.10000110.9S95S95-V97 PolarHBondContact O-N 3.24Å
98K50.5Low44.1Very low189 Ų189141.6 Ų141.682%0.82278%0.781SS**PPolyproline II helixtrans-72.3126.2175.2-66.5179.3179177.70110.5V100K98-V100 PolarHBondContact O-N 3.35Å
99P39.3Very low44.1Very low127 Ų127140.3 Ų140.383%0.82578%0.779SS**PPolyproline II helixtrans-71.6120.9165.429.1-31.7000109.8
100V40.3Very low44.1Very low141 Ų141142 Ų14286%0.85578%0.781SS**PPolyproline II helixtrans-76.7130.9171.7175.60000109K98K98-V100 PolarHBondContact O-N 3.35Å
101Q43.5Very low44.4Very low141 Ų141138.5 Ų138.566%0.65978%0.777SS**PPolyproline II helixtrans-98.4120.9-175.5-179.2-172.48100111.1Q103Q101-Q103 PolarHBondContact O-N 3.41Å
102P40.5Very low44.1Very low121 Ų121137.1 Ų137.179%0.78678%0.777SS**PPolyproline II helixtrans-71.3120.4167.1-16.832000110.6
103Q46.5Very low44.2Very low147 Ų147138.9 Ų138.969%0.68778%0.782SS**PPolyproline II helixtrans-86119.5176.2-76.2-89.5-43.400110.6Q101Q101-Q103 PolarHBondContact O-N 3.41Å
104I46.1Very low44Very low163 Ų163140.5 Ų140.584%0.83678%0.784SS**  trans-140.3120.4159.7-50.7179.3000108.1
105S39.8Very low43.9Very low92 Ų92138.5 Ų138.564%0.64378%0.778SS**PPolyproline II helixtrans-85.7135.4-178.1-46.80000111.6
106P43.6Very low44Very low124 Ų124137.5 Ų137.581%0.80578%0.775SS**PPolyproline II helixtrans-71.5134.816929.9-32.9000110.6
107L40.6Very low43.5Very low169 Ų169140.1 Ų140.189%0.88578%0.777SS**PPolyproline II helixtrans-73.6131.8178.9-71.2171.8000111.5
108T41.5Very low43.4Very low126 Ų126142 Ų14277%0.77378%0.782SS**PPolyproline II helixtrans-77127.7175.3-43.90000110.9
109I45.7Very low42.6Very low144 Ų144142 Ų14274%0.73879%0.787SS**  trans-110.5120.9166.9-61.7178.5000107.8I111I109-I111 HydrophobicContact CG2-CG1 4.35Å
110N43.4Very low42.5Very low151 Ų151141.1 Ų141.181%0.80778%0.784SS**  trans-85.3130.3172.6-78.4-76.2000110.1
111I46.8Very low43Very low144 Ų144140.2 Ų140.274%0.73878%0.781SS**  trans-134130.4160.5-57.4-178.5000106.2I109I109-I111 HydrophobicContact CG2-CG1 4.35Å
112P39.6Very low42.8Very low123 Ų123141 Ų14180%0.79979%0.789SS**  trans-79.9142.4-169.3-13.430000114
113D46.6Very low43.2Very low168 Ų168140.6 Ų140.690%0.89879%0.786SS**  trans-70.9123.2167.3-64.9-69.3000111.8
114N42.8Very low42.4Very low153 Ų153138.7 Ų138.782%0.81879%0.789SS**  trans-159.1158151.6-152.9-8.4000112.6
115I45.3Very low42.5Very low143 Ų143137 Ų13773%0.73379%0.788SS**  trans66.467.7168.2-38.1-178.8000116.1
116A42.1Very low42.4Very low78 Ų78139.8 Ų139.865%0.64580%0.802SS**  30.7124.6114.600000120.8
117H44.8Very low42Very low179 Ų179136.6 Ų136.683%0.82979%0.792SS**  trans76.1152.5143.9-77.1-122000120.9
118L41.6Very low42Very low159 Ų159135.1 Ų135.183%0.83279%0.79SS**  trans85.6110.1167.2-57.4178.2000119.3
119M34.8Very low41.6Very low189 Ų189137.7 Ų137.793%0.93180%0.797SS**  trans75.6139.9154.1-45.9-147.780.400119.5
120S36.8Very low41.4Very low109 Ų109136.9 Ų136.976%0.76280%0.804SS**  trans-96.7162.6169.455.70000110.3
121P49.9Very low41.1Very low122 Ų122134.2 Ų134.279%0.79280%0.803SS**  -147.2164.99237-19.5000117.3
122L39.7Very low40.7Very low157 Ų157131.4 Ų131.482%0.82280%0.801SS**  trans-10152.1151.1-74.2167.8000119
123P48.2Very low40.7Very low112 Ų112132.8 Ų132.873%0.72780%0.802SS**  -152170.753.343-23.1000121.1
124S31.4Very low40.1Very low108 Ų108130.4 Ų130.476%0.75580%0.798SS**  trans64.9119.7151.9-63.50000121.3
125P47.8Very low40.1Very low126 Ų126129 Ų12982%0.81880%0.8SS**  trans-91.5160.8171.737.3-34.8000113.6
126T36.4Very low40.4Very low151 Ų151128.2 Ų128.293%0.92680%0.804SS**  trans-155.1141.7165.9-79.50000109.9
127G36.7Very low40.2Very low58 Ų58130.5 Ų130.560%0.59882%0.815SS**  trans104.293.9164.600000116.9
128T39.9Very low40Very low138 Ų138127.1 Ų127.185%0.84781%0.811SS**  trans24.8117.9138.249.30000120.7
129I33.6Very low40.6Very low180 Ų180125.8 Ų125.892%0.92381%0.812SS**  trans-149.2162.6138.322171.9000111.5
130S41.6Very low41.2Very low126 Ų126129 Ų12988%0.88181%0.814SS**  trans-110.2132.2-170.7-51.60000113.7
131A36.3Very low40.9Very low95 Ų95126.9 Ų126.979%0.78581%0.81SS**  trans-162.8126.6157.800000106.7
132A39.5Very low40.5Very low85 Ų85126.4 Ų126.470%0.70282%0.816SS**  97.4151.750.400000112.9
133N38.6Very low40.2Very low153 Ų153122.3 Ų122.382%0.81881%0.812SS**  trans93138.5163.6-52.6-26.2000121.1
134S34.9Very low39.6Very low117 Ų117125.2 Ų125.282%0.81882%0.82SS**  trans77.8108148.4-58.40000121.7
135C43.1Very low39.6Very low125 Ų125124.4 Ų124.485%0.84582%0.815SS**  trans-76.3158.2150.6-48.80000111.2
136P51.2Low38.9Very low126 Ų126123.3 Ų123.382%0.81881%0.81SS**  trans-106.2155.6146.434.9-29.2000112
137S38.3Very low38.9Very low125 Ų125124 Ų12487%0.87480%0.797SS**PPolyproline II helixtrans-91.8165.9-174.8-65.50000114.5
138S39.9Very low39.1Very low109 Ų109132.2 Ų132.276%0.76281%0.809SS**PPolyproline II helixtrans-65158.5173.6-340000114.5
139P53.3Low38.7Very low131 Ų131131.7 Ų131.785%0.85181%0.806SS**PPolyproline II helixtrans-77.1161.8154.334.1-33.8000112
140R47.2Very low38.4Very low255 Ų255128.7 Ų128.796%0.96280%0.801SS**  trans-157.7141.9-172.2-178.4179.5-179.3171-0.2112.9
141G31.7Very low38.1Very low66 Ų66133.2 Ų133.268%0.6880%0.799SS**  trans-176.3139165.700000108.9
142A40.3Very low37.9Very low111 Ų111135 Ų13592%0.91780%0.8SS**  cis75127.629.200000113.8
143G33.4Very low37.7Very low71 Ų71138.5 Ų138.573%0.73281%0.806SS**  cis-128.9-156.4-9.800000110.9
144L35.6Very low37.5Very low174 Ų174137.2 Ų137.291%0.91180%0.804SS**  cis-159.4165.222.2-81.8167.5000112.3
145S32.7Very low37.4Very low91 Ų91137.7 Ų137.764%0.63681%0.807SS**  trans5128152.8-171.80000121
146S33.2Very low37Very low102 Ų102140.4 Ų140.471%0.71381%0.807SS**  -161.2147.5109-83.30000114.4
147Y36.4Very low36.4Very low167 Ų167141.9 Ų141.966%0.65581%0.806SS**  trans-79.2156.2177.940.7-92000112.4
148R40.7Very low36.6Very low229 Ų229143.8 Ų143.886%0.86481%0.805SS**  -162155.8124.5-85.1-114.7-172.9-85.1-2.3109.3
149T31.2Very low36.2Very low128 Ų128142 Ų14279%0.78580%0.804SS**  trans-112.8142.4-164.8-43.90000111
150S28.6Very low35.2Very low116 Ų116143.7 Ų143.781%0.81181%0.806SS**  trans-153.9148.5137.4-160.50000112.6
151R35.2Very low34.7Very low222 Ų222137.7 Ų137.784%0.83879%0.793SS**  trans-92.5-174.4159.8-56.4176.6-173.9170.90.4106.7
152V31.7Very low35.1Very low133 Ų133140 Ų14081%0.80680%0.798SS**  cis-146169.322.81780000110.1
153L35.3Very low34.7Very low157 Ų157142.8 Ų142.882%0.82279%0.793SS**  trans-52.7170.7178.8-54.8167.3000117.8
154T34.2Very low34.9Very low127 Ų127145.2 Ų145.278%0.77980%0.798SS**  trans-51.3149.4161.347.40000116
155S32.5Very low35.1Very low126 Ų126145 Ų14588%0.88179%0.793SS**  trans-161.1152.6139-87.90000110.4
156E35.6Very low35.2Very low183 Ų183147.8 Ų147.886%0.85580%0.8SS**  trans-91.3157.6166.6-59.4-178139.900110.6
157I38Very low35.7Very low156 Ų156150.4 Ų150.480%0.881%0.806SS**  trans176.4129.2135.6-92.7155.8000111.3
158I41.4Very low36.2Very low165 Ų165151.1 Ų151.185%0.84681%0.813SS**  trans9.3135.3147.1-41.5171.8000118.6
159G32.6Very low36.2Very low71 Ų71149.3 Ų149.373%0.73281%0.814SS**  trans167.363.115700000121.6
160D30.9Very low36.7Very low168 Ų168147.3 Ų147.390%0.89881%0.81SS**  trans57.6167.3146.3-144.89.2000123.2
161N37.8Very low37.5Very low129 Ų129147.9 Ų147.969%0.6981%0.814SS**  trans-84.7143.5-166.115763.7000116
162S38.9Very low37.5Very low113 Ų113140.7 Ų140.779%0.7981%0.809SS**  trans-174.3158.3137.7330000113.3
163Q33Very low37.9Very low171 Ų171142.6 Ų142.680%0.79981%0.809SS**  trans-80.9153.6179.6-67.7159.7-10900113
164S37.3Very low38.2Very low122 Ų122142.2 Ų142.285%0.85381%0.808SS**  trans-156.5135131.2-8.20000110.3
165E39.7Very low38.9Very low170 Ų170139.8 Ų139.879%0.79480%0.796SS**  trans-77148.9167.8-66.4151.7122.800109.6
166N35.5Very low39.8Very low149 Ų149138.9 Ų138.980%0.79779%0.788SS**  trans-157.183.9166.7-152.6-19.4000110.4K168N166-K168 PolarHBondContact O-N 2.87Å
167D43.4Very low40.5Very low157 Ų157139.5 Ų139.584%0.8479%0.787SS**  trans-60.6119.2170.3-74.9-68.4000110.2
168K47.7Very low41.4Very low182 Ų182135.2 Ų135.279%0.79177%0.766SS**  trans-141.782.8168.7-154.6160.4-166.7168.60112.1N166 A170N166-K168 PolarHBondContact O-N 2.87Å; K168-A170 PolarHBondContact O-N 3.36Å; K168-A170 VanDerWaalsContact O-N 3.08Å
169E40.5Very low42.4Very low191 Ų191132.8 Ų132.889%0.89376%0.755SS**  trans-35.5111.9154.5-81.4-73121.700110.5
170A39.8Very low44.6Very low85 Ų85132.7 Ų132.770%0.70274%0.743SS**  trans-141.2101.1173.600000107.2K168 G172K168-A170 PolarHBondContact O-N 3.36Å; K168-A170 VanDerWaalsContact O-N 3.08Å; A170-G172 VanDerWaalsContact C-N 3.3Å; A170-G172 PolarHBondContact O-N 3.11Å
171S46.3Very low47.2Very low128 Ų128129.5 Ų129.590%0.89572%0.721SS**  trans-66.281.1-175.235.80000112.3E173S171-E173 PolarHBondContact O-N 3.07Å
172G36.3Very low49.7Very low71 Ų71123.8 Ų123.873%0.73269%0.691SS**  trans-9579.5176.700000112.5A170 D174A170-G172 VanDerWaalsContact C-N 3.3Å; A170-G172 PolarHBondContact O-N 3.11Å; G172-D174 PolarHBondContact O-N 2.91Å
173E39.7Very low52.1Low173 Ų173121.3 Ų121.381%0.80867%0.673SS**  trans-3107.4167.1-159.8170.8138.500116.5S171 S175S171-E173 PolarHBondContact O-N 3.07Å; E173-S175 PolarHBondContact O-N 3.41Å
174D41.5Very low54.9Low149 Ų149114.9 Ų114.980%0.79764%0.641SS**  trans-71.373.8179-174.431000111.9G172 P176G172-D174 PolarHBondContact O-N 2.91Å; D174-P176 VanDerWaalsContact O-CD 3.3Å; D174-P176 WeakPolarHBondContact O-CD 3.37Å
175S47.9Very low57.7Low76 Ų76110.6 Ų110.653%0.53161%0.611SS.*  trans-63.1111.4165-74.70000108.9E173 K177E173-S175 PolarHBondContact O-N 3.41Å; S175-K177 PolarHBondContact O-N 3.26Å
176P51.6Low60.4Low107 Ų107105 Ų10570%0.69558%0.583SS**  trans-67.5111.2-166.525.4-34.6000111.3D174 D178D174-P176 VanDerWaalsContact O-CD 3.3Å; D174-P176 WeakPolarHBondContact O-CD 3.37Å; P176-D178 HydrophobicContact CB-CB 4.47Å; P176-D178 PolarHBondContact O-N 3.47Å
177K51.4Low63.2Low196 Ų19698.5 Ų98.585%0.85255%0.55SS*.  trans-75.148.6174.2-68.7168.5-177.2161.50111.7S175 D179S175-K177 PolarHBondContact O-N 3.26Å; K177-D179 VanDerWaalsContact C-N 3.32Å; K177-D179 PolarHBondContact O-N 2.99Å
178D57.1Low65.7Low67 Ų6791.9 Ų91.936%0.35851%0.514SS..THydrogen-bonded Turntrans-93.120.3-172.6-158.243.7000113.9P176 S180 P216P176-D178 HydrophobicContact CB-CB 4.47Å; P176-D178 PolarHBondContact O-N 3.47Å; D178-S180 PolarHBondContact O-N 2.96Å; D178-P216 WeakPolarHBondContact OD2-CD 3.34Å
179D62.6Low68Low113 Ų11383.3 Ų83.360%0.60448%0.477SS*.THydrogen-bonded Turntrans-75.52.4158.6-74-46.7000112.2K177 Y217K177-D179 VanDerWaalsContact C-N 3.32Å; K177-D179 PolarHBondContact O-N 2.99Å; D179-Y217 WeakPolarHBondContact O-CD2 3.47Å
180S77.8Confident70.7Confident69 Ų6974.2 Ų74.248%0.48343%0.434SS..SBendtrans-71.5144169.888.90000110.8D178 P182D178-S180 PolarHBondContact O-N 2.96Å; S180-P182 WeakPolarHBondContact O-CD 3.42Å
181K86.5Confident73.4Confident101 Ų10170.3 Ų70.344%0.43940%0.402SS..PPolyproline II helixtrans-66.3119.9176.8-178.8168.9-172.5160.60109.8Y186 Y217 Y218K181-Y186 PolarHBondContact NZ-OH 2.95Å; K181-Y217 HydrophobicContact CB-CD1 4.13Å; K181-Y217 HydrophobicContact CB-CE1 3.73Å; K181-Y217 HydrophobicContact CB-CE2 4.19Å; K181-Y217 HydrophobicContact CD-CE1 3.86Å; K181-Y217 HydrophobicContact CG-CD1 4.1Å; K181-Y217 HydrophobicContact CG-CE1 3.58Å; K181-Y218 WeakPolarHBondContact CE-OH 3.49Å
182P88.6Confident75.8Confident9 Ų964.4 Ų64.46%0.05836%0.36CS..PPolyproline II helixtrans-63.6146.8-173.124.9-35.7000111.9S180 Y184 Y215 Y218S180-P182 WeakPolarHBondContact O-CD 3.42Å; P182-Y184 HydrophobicContact CB-CD2 4.09Å; P182-Y184 PolarHBondContact O-N 2.81Å; P182-Y215 HydrophobicContact CB-CD1 3.62Å; P182-Y215 HydrophobicContact CB-CE1 3.78Å; P182-Y215 HydrophobicContact CB-CG 4.41Å; P182-Y215 HydrophobicContact CG-CD1 3.64Å; P182-Y215 HydrophobicContact CG-CE1 4.18Å; P182-Y215 HydrophobicContact CG-CG 3.94Å; P182-Y218 HydrophobicContact CG-CE2 3.7Å
183P90.3Very high78.7Confident62 Ų6261 Ų6140%0.40333%0.325SS..SBendtrans-76.635-172.733.5-38.4000114K272 R273P183-K272 HydrophobicContact CG-CB 4.17Å; P183-K272 HydrophobicContact CG-CD 4.3Å; P183-K272 HydrophobicContact CG-CG 4.06Å; P183-R273 WeakPolarHBondContact O-CB 3.37Å; P183-R273 WeakPolarHBondContact O-CG 3.21Å; P183-R273 PolarHBondContact O-N 3.42Å
184Y92.4Very high81.4Confident36 Ų3652.9 Ų52.914%0.14129%0.287CS..  trans-116.3142.8179.1-55-61000110.7P182 L189 Y215 K272P182-Y184 HydrophobicContact CB-CD2 4.09Å; P182-Y184 PolarHBondContact O-N 2.81Å; Y184-L189 HydrophobicContact CD2-CD2 4.21Å; Y184-L189 HydrophobicContact CG-CD2 4.46Å; Y184-Y215 AromaticContact CD2-CE1 3.97Å; Y184-Y215 HydrophobicContact CD2-CE1 3.97Å; Y184-Y215 AromaticContact CD2-CZ 3.77Å; Y184-Y215 VanDerWaalsContact CD2-OH 3.26Å; Y184-Y215 WeakPolarHBondContact CD2-OH 3.39Å; Y184-Y215 AromaticContact CE2-CE1 3.9Å; Y184-Y215 HydrophobicContact CE2-CE1 3.9Å; Y184-Y215 AromaticContact CE2-CZ 3.85Å; Y184-Y215 WeakPolarHBondContact CE2-OH 3.41Å; Y184-K272 HydrophobicContact CE1-CB 4.33Å; Y184-K272 HydrophobicContact CE1-CG 3.76Å; Y184-K272 WeakPolarHBondContact OH-CG 3.46Å
185S94.6Very high83.9Confident31 Ų3147.4 Ų47.422%0.21726%0.259CS..  trans-76.3156.8171.260.70000111.5A187 Q188 L189S185-A187 PolarHBondContact O-N 3.34Å; S185-A187 VanDerWaalsContact O-N 3.16Å; S185-Q188 WeakPolarHBondContact O-CB 3.4Å; S185-Q188 PolarHBondContact O-N 3.41Å; S185-Q188 WeakPolarHBondContact OG-CG 3.2Å; S185-Q188 PolarHBondContact OG-OE1 3.22Å; S185-L189 PolarHBondContact O-N 3.46Å
186Y96.1Very high86.1Confident53 Ų5349 Ų4921%0.20826%0.259CS..Hα-helixtrans-55.3-34.2177.6-62.7-57.6000113.1K181 L189 I190 Y218 W225 S228 I229K181-Y186 PolarHBondContact NZ-OH 2.95Å; Y186-L189 HydrophobicContact CD1-CD1 4.2Å; Y186-L189 PolarHBondContact O-N 2.95Å; Y186-I190 VanDerWaalsContact O-CD1 3.31Å; Y186-I190 WeakPolarHBondContact O-CD1 3.43Å; Y186-I190 WeakPolarHBondContact O-CG1 3.23Å; Y186-I190 PolarHBondContact O-N 2.83Å; Y186-Y218 HydrophobicContact CE1-CE1 4.1Å; Y186-W225 HydrophobicContact CE1-CB 4.32Å; Y186-S228 VanDerWaalsContact CD2-CB 3.46Å; Y186-I229 HydrophobicContact CD1-CD1 4.08Å; Y186-I229 HydrophobicContact CG-CD1 4.49Å
187A95.6Very high88.1Confident12 Ų1244.3 Ų44.310%0.09923%0.23CC..Hα-helixtrans-61.7-49.1171.400000112.3S185 L189 I190 V191S185-A187 PolarHBondContact O-N 3.34Å; S185-A187 VanDerWaalsContact O-N 3.16Å; A187-L189 VanDerWaalsContact C-N 3.33Å; A187-L189 PolarHBondContact O-N 3.1Å; A187-I190 PolarHBondContact O-N 3.01Å; A187-V191 WeakPolarHBondContact O-CG2 3.5Å; A187-V191 PolarHBondContact O-N 2.99Å
188Q95.7Very high90.1Very high19 Ų1941.6 Ų41.69%0.08923%0.232CC..Hα-helixtrans-61-40.3176.9-68.9166.7-71.600112.1S185 I190 V191 Q192 Q268 R271 R273S185-Q188 WeakPolarHBondContact O-CB 3.4Å; S185-Q188 PolarHBondContact O-N 3.41Å; S185-Q188 WeakPolarHBondContact OG-CG 3.2Å; S185-Q188 PolarHBondContact OG-OE1 3.22Å; Q188-I190 VanDerWaalsContact C-N 3.32Å; Q188-I190 PolarHBondContact O-N 3.33Å; Q188-V191 PolarHBondContact O-N 2.86Å; Q188-Q192 VanDerWaalsContact O-CG 3.28Å; Q188-Q192 WeakPolarHBondContact O-CG 3.31Å; Q188-Q192 PolarHBondContact O-N 3.49Å; Q188-Q268 PolarHBondContact NE2-O 3.03Å; Q188-R271 PolarHBondContact NE2-O 3.29Å; Q188-R273 VanDerWaalsContact OE1-CD 3.25Å
189L96Very high91.7Very high1 Ų141.8 Ų41.81%0.00523%0.233CC..Hα-helixtrans-62.3-37175.8-66.6173.8000112.6Y184 S185 Y186 A187 A193 I211 Y215 Y218Y184-L189 HydrophobicContact CD2-CD2 4.21Å; Y184-L189 HydrophobicContact CG-CD2 4.46Å; S185-L189 PolarHBondContact O-N 3.46Å; Y186-L189 HydrophobicContact CD1-CD1 4.2Å; Y186-L189 PolarHBondContact O-N 2.95Å; A187-L189 VanDerWaalsContact C-N 3.33Å; A187-L189 PolarHBondContact O-N 3.1Å; L189-A193 WeakPolarHBondContact O-CB 3.33Å; L189-A193 PolarHBondContact O-N 3.43Å; L189-A193 VanDerWaalsContact O-N 3.16Å; L189-I211 HydrophobicContact CB-CD1 3.92Å; L189-I211 HydrophobicContact CB-CG1 4.22Å; L189-Y215 HydrophobicContact CD2-CD2 3.71Å; L189-Y215 HydrophobicContact CD2-CE2 3.28Å; L189-Y218 HydrophobicContact CD1-CE2 3.76Å
190I97.1Very high93.2Very high0 Ų040.9 Ų40.90%022%0.224CC..Hα-helixtrans-69.9-41.7173.9-64.4157.9000110.7Y186 A187 Q188 A193 I194 I207 I229 N232 L233 F239Y186-I190 VanDerWaalsContact O-CD1 3.31Å; Y186-I190 WeakPolarHBondContact O-CD1 3.43Å; Y186-I190 WeakPolarHBondContact O-CG1 3.23Å; Y186-I190 PolarHBondContact O-N 2.83Å; A187-I190 PolarHBondContact O-N 3.01Å; Q188-I190 VanDerWaalsContact C-N 3.32Å; Q188-I190 PolarHBondContact O-N 3.33Å; I190-A193 PolarHBondContact O-N 3.01Å; I190-I194 HydrophobicContact CG2-CD1 3.76Å; I190-I194 HydrophobicContact CG2-CG1 4.41Å; I190-I194 WeakPolarHBondContact O-CG1 3.4Å; I190-I194 PolarHBondContact O-N 2.99Å; I190-I207 HydrophobicContact CG1-CG2 4.11Å; I190-I207 HydrophobicContact CG2-CD1 4.28Å; I190-I229 HydrophobicContact CD1-CD1 4.04Å; I190-I229 HydrophobicContact CD1-CG2 4.23Å; I190-I229 HydrophobicContact CG1-CD1 3.79Å; I190-I229 HydrophobicContact CG1-CG2 4.23Å; I190-N232 HydrophobicContact CD1-CB 3.66Å; I190-L233 HydrophobicContact CD1-CD2 4.15Å; I190-L233 HydrophobicContact CD1-CG 4Å; I190-L233 HydrophobicContact CG2-CD2 3.67Å; I190-F239 HydrophobicContact CB-CE1 4.09Å; I190-F239 HydrophobicContact CB-CE2 4.07Å; I190-F239 HydrophobicContact CB-CZ 3.55Å; I190-F239 HydrophobicContact CD1-CE2 3.91Å; I190-F239 HydrophobicContact CD1-CZ 4.29Å; I190-F239 HydrophobicContact CG2-CD1 3.98Å; I190-F239 HydrophobicContact CG2-CD2 4.42Å; I190-F239 HydrophobicContact CG2-CE1 3.4Å; I190-F239 VanDerWaalsContact CG2-CE1 3.4Å; I190-F239 HydrophobicContact CG2-CE2 3.88Å; I190-F239 HydrophobicContact CG2-CG 4.46Å; I190-F239 HydrophobicContact CG2-CZ 3.34Å
191V96.8Very high94Very high4 Ų439.4 Ų39.42%0.02421%0.209CC..Hα-helixtrans-60.2-53.3177.2174.50000110.2A187 Q188 A193 I194 T195 F239 I257 L265 A269A187-V191 WeakPolarHBondContact O-CG2 3.5Å; A187-V191 PolarHBondContact O-N 2.99Å; Q188-V191 PolarHBondContact O-N 2.86Å; V191-A193 VanDerWaalsContact C-N 3.27Å; V191-A193 PolarHBondContact O-N 3.29Å; V191-I194 PolarHBondContact O-N 3.26Å; V191-I194 VanDerWaalsContact O-N 3.12Å; V191-T195 HydrophobicContact CG1-CG2 3.87Å; V191-T195 WeakPolarHBondContact O-CB 3.3Å; V191-T195 VanDerWaalsContact O-CG2 3.23Å; V191-T195 WeakPolarHBondContact O-CG2 3.46Å; V191-T195 PolarHBondContact O-N 3.26Å; V191-T195 PolarHBondContact O-OG1 3.06Å; V191-F239 HydrophobicContact CG2-CE1 3.89Å; V191-F239 HydrophobicContact CG2-CZ 3.9Å; V191-I257 HydrophobicContact CB-CD1 4.37Å; V191-I257 HydrophobicContact CG1-CD1 3.85Å; V191-I257 HydrophobicContact CG2-CD1 4.36Å; V191-L265 HydrophobicContact CG1-CB 4.21Å; V191-L265 HydrophobicContact CG2-CB 4.22Å; V191-L265 HydrophobicContact CG2-CD2 3.68Å; V191-L265 HydrophobicContact CG2-CG 3.97Å; V191-A269 HydrophobicContact CB-CB 3.99Å; V191-A269 HydrophobicContact CG1-CB 3.55Å
192Q95.8Very high94.4Very high3 Ų336.1 Ų36.11%0.01420%0.197CC..Hα-helixtrans-48.9-50175.3-69.7168.86.600111.3Q188 I194 T195 M196 Y215 A269 F270Q188-Q192 VanDerWaalsContact O-CG 3.28Å; Q188-Q192 WeakPolarHBondContact O-CG 3.31Å; Q188-Q192 PolarHBondContact O-N 3.49Å; Q192-I194 PolarHBondContact O-N 3.12Å; Q192-T195 WeakPolarHBondContact CA-OG1 3.42Å; Q192-T195 PolarHBondContact O-N 2.98Å; Q192-T195 PolarHBondContact O-OG1 3.39Å; Q192-M196 WeakPolarHBondContact O-CB 3.38Å; Q192-M196 WeakPolarHBondContact O-CG 3.44Å; Q192-M196 PolarHBondContact O-N 3.47Å; Q192-Y215 PolarHBondContact OE1-OH 3.47Å; Q192-A269 HydrophobicContact CG-CB 4.12Å; Q192-A269 PolarHBondContact NE2-O 2.8Å; Q192-F270 HydrophobicContact CG-CD1 4.38Å; Q192-F270 HydrophobicContact CG-CE1 3.96Å; Q192-F270 HydrophobicContact CG-CZ 4.22Å
193A96.9Very high94.8Very high0 Ų037.2 Ų37.20%020%0.203CC..Hα-helixtrans-60.6-41.9-179.400000113.9L189 I190 V191 L202 H210L189-A193 WeakPolarHBondContact O-CB 3.33Å; L189-A193 PolarHBondContact O-N 3.43Å; L189-A193 VanDerWaalsContact O-N 3.16Å; I190-A193 PolarHBondContact O-N 3.01Å; V191-A193 VanDerWaalsContact C-N 3.27Å; V191-A193 PolarHBondContact O-N 3.29Å; A193-L202 HydrophobicContact CB-CD2 3.96Å; A193-H210 VanDerWaalsContact CA-CD2 3.47Å; A193-H210 WeakPolarHBondContact CA-CD2 3.42Å; A193-H210 HydrophobicContact CB-CB 3.86Å; A193-H210 VanDerWaalsContact CB-CD2 3.44Å; A193-H210 WeakPolarHBondContact CB-CD2 3.47Å
194I96.4Very high95.1Very high2 Ų236.7 Ų36.71%0.0120%0.197CC..Hα-helixtrans-74.4-36.2178.2-65.9172.1000111.1I190 V191 Q192 A197 K200 L202 F239 W255 I257I190-I194 HydrophobicContact CG2-CD1 3.76Å; I190-I194 HydrophobicContact CG2-CG1 4.41Å; I190-I194 WeakPolarHBondContact O-CG1 3.4Å; I190-I194 PolarHBondContact O-N 2.99Å; V191-I194 PolarHBondContact O-N 3.26Å; V191-I194 VanDerWaalsContact O-N 3.12Å; Q192-I194 PolarHBondContact O-N 3.12Å; I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.42Å; I194-K200 WeakPolarHBondContact CG2-O 3.49Å; I194-L202 HydrophobicContact CG1-CB 4.09Å; I194-F239 HydrophobicContact CD1-CD1 4.21Å; I194-F239 HydrophobicContact CD1-CE1 4.29Å; I194-W255 HydrophobicContact CD1-CB 4.3Å; I194-I257 HydrophobicContact CB-CD1 4.14Å; I194-I257 HydrophobicContact CB-CG1 4.36Å; I194-I257 HydrophobicContact CD1-CG1 4.31Å; I194-I257 HydrophobicContact CG2-CD1 3.97Å; I194-I257 HydrophobicContact CG2-CG1 4.02Å
195T94.9Very high95.2Very high35 Ų3540.3 Ų40.322%0.21522%0.218CC..Hα-helixtrans-76.4-23.6-177.657.10000113.5V191 Q192 A197 I257 I266V191-T195 HydrophobicContact CG1-CG2 3.87Å; V191-T195 WeakPolarHBondContact O-CB 3.3Å; V191-T195 VanDerWaalsContact O-CG2 3.23Å; V191-T195 WeakPolarHBondContact O-CG2 3.46Å; V191-T195 PolarHBondContact O-N 3.26Å; V191-T195 PolarHBondContact O-OG1 3.06Å; Q192-T195 WeakPolarHBondContact CA-OG1 3.42Å; Q192-T195 PolarHBondContact O-N 2.98Å; Q192-T195 PolarHBondContact O-OG1 3.39Å; T195-A197 VanDerWaalsContact C-N 3.31Å; T195-I257 HydrophobicContact CG2-CD1 3.67Å; T195-I266 HydrophobicContact CG2-CD1 4.08Å; T195-I266 HydrophobicContact CG2-CG1 3.55Å
196M93.8Very high95.3Very high108 Ų10839.6 Ų39.653%0.53222%0.216SC..THydrogen-bonded Turntrans-90.16.3172.6-66.4172.970.200112.6Q192 H210Q192-M196 WeakPolarHBondContact O-CB 3.38Å; Q192-M196 WeakPolarHBondContact O-CG 3.44Å; Q192-M196 PolarHBondContact O-N 3.47Å; M196-H210 VanDerWaalsContact SD-CE1 3.57Å
197A93.8Very high95.3Very high10 Ų1037 Ų378%0.08321%0.206CC..SBendtrans-88.5135.6170.900000109.9I194 T195 D199 K200 Q201 L202I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.42Å; T195-A197 VanDerWaalsContact C-N 3.31Å; A197-D199 PolarHBondContact O-N 3.09Å; A197-K200 PolarHBondContact O-N 2.98Å; A197-K200 VanDerWaalsContact O-N 3.09Å; A197-Q201 WeakPolarHBondContact CB-O 3.33Å; A197-L202 HydrophobicContact CB-CD1 4.05Å
198P92.8Very high95.3Very high138 Ų13837.8 Ų37.890%0.89621%0.207SC*.THydrogen-bonded Turntrans-63.4-29-176.827.4-35.2000112.7
199D91.8Very high95.3Very high71 Ų7140.6 Ų40.638%0.3823%0.225SC..THydrogen-bonded Turntrans-95.28179.757.6-21.1000113.5A197 Q201A197-D199 PolarHBondContact O-N 3.09Å; D199-Q201 HydrophobicContact CB-CG 3.95Å; D199-Q201 PolarHBondContact O-N 3.23Å; D199-Q201 WeakPolarHBondContact OD2-CG 3.45Å; D199-Q201 PolarHBondContact OD2-NE2 3.35Å
200K94.1Very high95.3Very high95 Ų9541.9 Ų41.941%0.41323%0.231SC..SBendtrans48.831.5-176.6-68.9-173.7165-157.30113.9I194 A197 E262I194-K200 WeakPolarHBondContact CG2-O 3.49Å; A197-K200 PolarHBondContact O-N 2.98Å; A197-K200 VanDerWaalsContact O-N 3.09Å; K200-E262 WeakPolarHBondContact CD-OE1 3.11Å; K200-E262 VanDerWaalsContact CE-OE1 3.25Å; K200-E262 WeakPolarHBondContact CE-OE1 3.23Å; K200-E262 IonicContact NZ-OE1 2.86Å; K200-E262 PolarHBondContact NZ-OE1 2.88Å; K200-E262 IonicContact NZ-OE2 2.66Å; K200-E262 PolarHBondContact NZ-OE2 2.91Å
201Q94.3Very high95.3Very high37 Ų3742 Ų4217%0.17323%0.231CC..EExtended strand (participates in β ladder)trans-146.6153.317967.5-175.7-0.500109.2A197 D199 F254 W255 R256A197-Q201 WeakPolarHBondContact CB-O 3.33Å; D199-Q201 HydrophobicContact CB-CG 3.95Å; D199-Q201 PolarHBondContact O-N 3.23Å; D199-Q201 WeakPolarHBondContact OD2-CG 3.45Å; D199-Q201 PolarHBondContact OD2-NE2 3.35Å; Q201-F254 HydrophobicContact CB-CD1 4.41Å; Q201-F254 HydrophobicContact CG-CD1 3.89Å; Q201-F254 HydrophobicContact CG-CE1 4.3Å; Q201-F254 HydrophobicContact CG-CG 4.42Å; Q201-W255 CarbonylContact C-O 3.58Å; Q201-W255 WeakPolarHBondContact CA-O 3.46Å; Q201-R256 HydrophobicContact CB-CG 3.31Å
202L95.5Very high95.2Very high32 Ų3243.6 Ų43.617%0.16824%0.241CC..EExtended strand (participates in β ladder)trans-148.6142.5178-15063.8000112A193 I194 A197 G206 I207 H210 W255A193-L202 HydrophobicContact CB-CD2 3.96Å; I194-L202 HydrophobicContact CG1-CB 4.09Å; A197-L202 HydrophobicContact CB-CD1 4.05Å; L202-G206 VanDerWaalsContact CD2-C 3.43Å; L202-I207 HydrophobicContact CB-CG1 4.01Å; L202-I207 HydrophobicContact CD2-CB 4.44Å; L202-I207 HydrophobicContact CD2-CG1 3.83Å; L202-I207 HydrophobicContact CG-CG1 4.18Å; L202-H210 HydrophobicContact CD2-CB 4.27Å; L202-W255 PolarHBondContact N-O 2.82Å; L202-W255 PolarHBondContact O-N 3.04Å
203T96.1Very high95.1Very high32 Ų3251.2 Ų51.220%0.19627%0.274CS..EExtended strand (participates in β ladder)trans-71.9155.4172.671.40000109.9N205 G206 I207 F254T203-N205 PolarHBondContact O-N 3.28Å; T203-N205 VanDerWaalsContact O-N 3.13Å; T203-G206 WeakPolarHBondContact O-CA 3.5Å; T203-G206 PolarHBondContact O-N 3.44Å; T203-G206 PolarHBondContact OG1-N 3.03Å; T203-I207 WeakPolarHBondContact O-CG1 3.48Å; T203-I207 PolarHBondContact O-N 2.8Å; T203-F254 HydrophobicContact CG2-CD1 3.8Å; T203-F254 HydrophobicContact CG2-CE1 3.67Å; T203-F254 HydrophobicContact CG2-CZ 4.37Å
204L96Very high94.9Very high52 Ų5254.3 Ų54.327%0.27229%0.291SS..Hα-helixtrans-53.4-35.5175.3177.962.8000112.7Y208 I229 R230 L233L204-Y208 HydrophobicContact CD1-CE1 3.9Å; L204-Y208 HydrophobicContact CD1-CE2 4.45Å; L204-Y208 HydrophobicContact CG-CE1 4.39Å; L204-Y208 HydrophobicContact CG-CE2 4.04Å; L204-Y208 WeakPolarHBondContact O-CD2 3.29Å; L204-Y208 PolarHBondContact O-N 2.9Å; L204-I229 HydrophobicContact CD1-CG2 4.28Å; L204-R230 HydrophobicContact CD1-CG 3.96Å; L204-R230 HydrophobicContact CD2-CG 3.97Å; L204-L233 HydrophobicContact CD1-CD1 3.56Å
205N95.5Very high94.7Very high111 Ų11155.8 Ų55.859%0.59430%0.296SS*.Hα-helixtrans-69.7-44.3175.6-167.775.2000111.7T203 I207 Y208 T209T203-N205 PolarHBondContact O-N 3.28Å; T203-N205 VanDerWaalsContact O-N 3.13Å; N205-I207 VanDerWaalsContact C-N 3.28Å; N205-I207 PolarHBondContact O-N 2.69Å; N205-Y208 WeakPolarHBondContact O-CB 3.41Å; N205-Y208 PolarHBondContact O-N 2.82Å; N205-T209 PolarHBondContact O-N 3.2Å; N205-T209 PolarHBondContact O-OG1 2.67Å
206G95.6Very high94.5Very high16 Ų1655.7 Ų55.717%0.16530%0.296CS..Hα-helixtrans-58.6-37.2175.400000112.9L202 T203 Y208 T209 H210L202-G206 VanDerWaalsContact CD2-C 3.43Å; T203-G206 WeakPolarHBondContact O-CA 3.5Å; T203-G206 PolarHBondContact O-N 3.44Å; T203-G206 PolarHBondContact OG1-N 3.03Å; G206-Y208 VanDerWaalsContact C-N 3.34Å; G206-Y208 PolarHBondContact O-N 3.01Å; G206-T209 PolarHBondContact O-N 2.97Å; G206-H210 WeakPolarHBondContact O-CB 3.45Å; G206-H210 PolarHBondContact O-N 2.88Å
207I96.8Very high94.4Very high0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-61.5-42.6174-63.6166.2000110.7I190 L202 T203 N205 I211 I229 L233 W255I190-I207 HydrophobicContact CG1-CG2 4.11Å; I190-I207 HydrophobicContact CG2-CD1 4.28Å; L202-I207 HydrophobicContact CB-CG1 4.01Å; L202-I207 HydrophobicContact CD2-CB 4.44Å; L202-I207 HydrophobicContact CD2-CG1 3.83Å; L202-I207 HydrophobicContact CG-CG1 4.18Å; T203-I207 WeakPolarHBondContact O-CG1 3.48Å; T203-I207 PolarHBondContact O-N 2.8Å; N205-I207 VanDerWaalsContact C-N 3.28Å; N205-I207 PolarHBondContact O-N 2.69Å; I207-I211 HydrophobicContact CG2-CD1 3.88Å; I207-I211 WeakPolarHBondContact O-CB 3.23Å; I207-I211 VanDerWaalsContact O-CG1 3.29Å; I207-I211 WeakPolarHBondContact O-CG1 3.45Å; I207-I211 PolarHBondContact O-N 3.12Å; I207-I211 VanDerWaalsContact O-N 3.09Å; I207-I229 HydrophobicContact CG2-CG2 3.8Å; I207-L233 HydrophobicContact CD1-CD1 3.93Å; I207-L233 HydrophobicContact CD1-CD2 4.04Å; I207-W255 HydrophobicContact CD1-CB 4.31Å
208Y96.1Very high94.4Very high28 Ų2853.3 Ų53.311%0.1128%0.28CS..Hα-helixtrans-62.8-48.6174.5-54.5-35.9000111.3L204 N205 G206 H210 I211 T212 W225 Q226 I229 R230L204-Y208 HydrophobicContact CD1-CE1 3.9Å; L204-Y208 HydrophobicContact CD1-CE2 4.45Å; L204-Y208 HydrophobicContact CG-CE1 4.39Å; L204-Y208 HydrophobicContact CG-CE2 4.04Å; L204-Y208 WeakPolarHBondContact O-CD2 3.29Å; L204-Y208 PolarHBondContact O-N 2.9Å; N205-Y208 WeakPolarHBondContact O-CB 3.41Å; N205-Y208 PolarHBondContact O-N 2.82Å; G206-Y208 VanDerWaalsContact C-N 3.34Å; G206-Y208 PolarHBondContact O-N 3.01Å; Y208-H210 PolarHBondContact O-N 3.42Å; Y208-I211 PolarHBondContact O-N 3.25Å; Y208-T212 PolarHBondContact O-N 2.85Å; Y208-T212 PolarHBondContact O-OG1 2.8Å; Y208-W225 HydrophobicContact CD1-CH2 4.1Å; Y208-W225 AromaticContact CD1-CZ3 3.87Å; Y208-W225 HydrophobicContact CD1-CZ3 3.87Å; Y208-W225 HydrophobicContact CG-CH2 4.37Å; Y208-Q226 HydrophobicContact CD1-CB 4.2Å; Y208-Q226 HydrophobicContact CD1-CG 3.96Å; Y208-Q226 HydrophobicContact CE1-CB 3.63Å; Y208-Q226 HydrophobicContact CE1-CG 3.91Å; Y208-Q226 HydrophobicContact CG-CG 4.37Å; Y208-I229 HydrophobicContact CD1-CG2 4.35Å; Y208-I229 HydrophobicContact CE1-CB 4.17Å; Y208-I229 HydrophobicContact CE1-CG2 3.98Å; Y208-R230 WeakPolarHBondContact OH-CG 3.29Å; Y208-R230 PolarHBondContact OH-NH1 3.35Å
209T96.3Very high94.3Very high77 Ų7753.9 Ų53.947%0.47226%0.264SS..Hα-helixtrans-59.6-43179.1-56.50000112.2N205 G206 T212 K213N205-T209 PolarHBondContact O-N 3.2Å; N205-T209 PolarHBondContact O-OG1 2.67Å; G206-T209 PolarHBondContact O-N 2.97Å; T209-T212 PolarHBondContact O-N 3.12Å; T209-T212 PolarHBondContact O-OG1 2.78Å; T209-T212 VanDerWaalsContact O-OG1 3.13Å; T209-K213 VanDerWaalsContact O-CB 3.29Å; T209-K213 WeakPolarHBondContact O-CB 3.31Å; T209-K213 PolarHBondContact O-N 2.85Å
210H95.8Very high94Very high29 Ų2956.1 Ų56.113%0.13428%0.28CS..Hα-helixtrans-63.7-45.7178.2-177.2102000111.2A193 M196 L202 G206 Y208 K213 N214A193-H210 VanDerWaalsContact CA-CD2 3.47Å; A193-H210 WeakPolarHBondContact CA-CD2 3.42Å; A193-H210 HydrophobicContact CB-CB 3.86Å; A193-H210 VanDerWaalsContact CB-CD2 3.44Å; A193-H210 WeakPolarHBondContact CB-CD2 3.47Å; M196-H210 VanDerWaalsContact SD-CE1 3.57Å; L202-H210 HydrophobicContact CD2-CB 4.27Å; G206-H210 WeakPolarHBondContact O-CB 3.45Å; G206-H210 PolarHBondContact O-N 2.88Å; Y208-H210 PolarHBondContact O-N 3.42Å; H210-K213 PolarHBondContact O-N 3.39Å; H210-N214 PolarHBondContact CD2-ND2 2.97Å; H210-N214 VanDerWaalsContact CD2-ND2 3.35Å; H210-N214 PolarHBondContact CE1-ND2 3Å; H210-N214 PolarHBondContact NE2-ND2 3.19Å; H210-N214 VanDerWaalsContact NE2-ND2 3.11Å; H210-N214 PolarHBondContact O-N 3.16Å; H210-N214 PolarHBondContact O-ND2 2.85Å
211I95.6Very high93.6Very high1 Ų152.9 Ų52.91%0.00527%0.271CS..Hα-helixtrans-64.2-44.2179-69171.6000110.6L189 I207 Y208 K213 Y215 Y218 W225 I229L189-I211 HydrophobicContact CB-CD1 3.92Å; L189-I211 HydrophobicContact CB-CG1 4.22Å; I207-I211 HydrophobicContact CG2-CD1 3.88Å; I207-I211 WeakPolarHBondContact O-CB 3.23Å; I207-I211 VanDerWaalsContact O-CG1 3.29Å; I207-I211 WeakPolarHBondContact O-CG1 3.45Å; I207-I211 PolarHBondContact O-N 3.12Å; I207-I211 VanDerWaalsContact O-N 3.09Å; Y208-I211 PolarHBondContact O-N 3.25Å; I211-K213 VanDerWaalsContact C-N 3.33Å; I211-K213 PolarHBondContact O-N 2.84Å; I211-Y215 WeakPolarHBondContact O-CB 3.42Å; I211-Y215 PolarHBondContact O-N 3.39Å; I211-Y218 HydrophobicContact CG2-CD2 3.43Å; I211-Y218 VanDerWaalsContact CG2-CD2 3.43Å; I211-Y218 HydrophobicContact CG2-CE2 4.08Å; I211-Y218 HydrophobicContact CG2-CG 3.8Å; I211-W225 HydrophobicContact CB-CH2 4.41Å; I211-W225 HydrophobicContact CB-CZ3 4.28Å; I211-W225 HydrophobicContact CD1-CZ3 4.33Å; I211-W225 HydrophobicContact CG2-CH2 4.26Å; I211-W225 HydrophobicContact CG2-CZ3 4.03Å; I211-I229 HydrophobicContact CD1-CD1 3.46Å; I211-I229 VanDerWaalsContact CD1-CD1 3.46Å; I211-I229 HydrophobicContact CD1-CG1 4.15Å
212T94.5Very high93.3Very high38 Ų3858.1 Ų58.123%0.23330%0.301CS..Hα-helixtrans-70.4-25.7176.457.40000113.5Y208 T209 R219 W225Y208-T212 PolarHBondContact O-N 2.85Å; Y208-T212 PolarHBondContact O-OG1 2.8Å; T209-T212 PolarHBondContact O-N 3.12Å; T209-T212 PolarHBondContact O-OG1 2.78Å; T209-T212 VanDerWaalsContact O-OG1 3.13Å; T212-R219 HydrophobicContact CG2-CG 4.48Å; T212-R219 PolarHBondContact O-NE 3.07Å; T212-R219 PolarHBondContact O-NH2 3.48Å; T212-W225 HydrophobicContact CG2-CH2 3.91Å; T212-W225 HydrophobicContact CG2-CZ2 3.62Å
213K94.1Very high93Very high163 Ų16364.6 Ų64.671%0.70933%0.328SS*.Hα-helixtrans-68.4-51.9173.5-174.2174.6178.5-179.10110.9T209 H210 I211 R219T209-K213 VanDerWaalsContact O-CB 3.29Å; T209-K213 WeakPolarHBondContact O-CB 3.31Å; T209-K213 PolarHBondContact O-N 2.85Å; H210-K213 PolarHBondContact O-N 3.39Å; I211-K213 VanDerWaalsContact C-N 3.33Å; I211-K213 PolarHBondContact O-N 2.84Å; K213-R219 PolarHBondContact O-NH2 2.96Å
214N92.4Very high92.9Very high65 Ų6565.3 Ų65.335%0.34834%0.341SS..Hα-helixtrans-83.3-22.6-172.8-65.6-87.6000114.5H210H210-N214 PolarHBondContact CD2-ND2 2.97Å; H210-N214 VanDerWaalsContact CD2-ND2 3.35Å; H210-N214 PolarHBondContact CE1-ND2 3Å; H210-N214 PolarHBondContact NE2-ND2 3.19Å; H210-N214 VanDerWaalsContact NE2-ND2 3.11Å; H210-N214 PolarHBondContact O-N 3.16Å; H210-N214 PolarHBondContact O-ND2 2.85Å
215Y92.5Very high92.8Very high33 Ų3363.5 Ų63.513%0.12933%0.331CS..  trans-129.797.5-175.3-61.1-69.9000111P182 Y184 L189 Q192 I211 Y217 Y218P182-Y215 HydrophobicContact CB-CD1 3.62Å; P182-Y215 HydrophobicContact CB-CE1 3.78Å; P182-Y215 HydrophobicContact CB-CG 4.41Å; P182-Y215 HydrophobicContact CG-CD1 3.64Å; P182-Y215 HydrophobicContact CG-CE1 4.18Å; P182-Y215 HydrophobicContact CG-CG 3.94Å; Y184-Y215 AromaticContact CD2-CE1 3.97Å; Y184-Y215 HydrophobicContact CD2-CE1 3.97Å; Y184-Y215 AromaticContact CD2-CZ 3.77Å; Y184-Y215 VanDerWaalsContact CD2-OH 3.26Å; Y184-Y215 WeakPolarHBondContact CD2-OH 3.39Å; Y184-Y215 AromaticContact CE2-CE1 3.9Å; Y184-Y215 HydrophobicContact CE2-CE1 3.9Å; Y184-Y215 AromaticContact CE2-CZ 3.85Å; Y184-Y215 WeakPolarHBondContact CE2-OH 3.41Å; L189-Y215 HydrophobicContact CD2-CD2 3.71Å; L189-Y215 HydrophobicContact CD2-CE2 3.28Å; Q192-Y215 PolarHBondContact OE1-OH 3.47Å; I211-Y215 WeakPolarHBondContact O-CB 3.42Å; I211-Y215 PolarHBondContact O-N 3.39Å; Y215-Y217 VanDerWaalsContact C-N 3.28Å; Y215-Y217 PolarHBondContact O-N 3.23Å; Y215-Y218 PolarHBondContact O-N 3.09Å; Y215-Y218 VanDerWaalsContact O-N 3.13Å
216P90.9Very high92.8Very high33 Ų3360.6 Ų60.621%0.21431%0.314CS..THydrogen-bonded Turntrans-51.8-41.7-175.2-28.736.1000114.2D178 Y218 R219D178-P216 WeakPolarHBondContact OD2-CD 3.34Å; P216-Y218 PolarHBondContact O-N 3.13Å; P216-R219 VanDerWaalsContact O-CB 3.23Å; P216-R219 WeakPolarHBondContact O-CB 3.48Å; P216-R219 VanDerWaalsContact O-CG 3.3Å; P216-R219 WeakPolarHBondContact O-CG 3.28Å; P216-R219 PolarHBondContact O-N 3.16Å
217Y92.2Very high92.8Very high65 Ų6564.3 Ų64.326%0.25533%0.33SS..Hα-helixtrans-42.2-39.6174.9173.1-105.9000114.9D179 K181 Y215 R219 T220 A221D179-Y217 WeakPolarHBondContact O-CD2 3.47Å; K181-Y217 HydrophobicContact CB-CD1 4.13Å; K181-Y217 HydrophobicContact CB-CE1 3.73Å; K181-Y217 HydrophobicContact CB-CE2 4.19Å; K181-Y217 HydrophobicContact CD-CE1 3.86Å; K181-Y217 HydrophobicContact CG-CD1 4.1Å; K181-Y217 HydrophobicContact CG-CE1 3.58Å; Y215-Y217 VanDerWaalsContact C-N 3.28Å; Y215-Y217 PolarHBondContact O-N 3.23Å; Y217-R219 VanDerWaalsContact C-N 3.29Å; Y217-R219 PolarHBondContact O-N 3Å; Y217-T220 PolarHBondContact O-OG1 3.47Å; Y217-A221 HydrophobicContact CE1-CB 4.35Å; Y217-A221 VanDerWaalsContact O-CB 3.23Å; Y217-A221 WeakPolarHBondContact O-CB 3.3Å; Y217-A221 PolarHBondContact O-N 2.96Å
218Y92.8Very high92.8Very high4 Ų466 Ų662%0.01634%0.341CS..Hα-helixtrans-80.7-3.8-177.3-68.4-66000114.4K181 P182 Y186 L189 I211 Y215 P216 W225K181-Y218 WeakPolarHBondContact CE-OH 3.49Å; P182-Y218 HydrophobicContact CG-CE2 3.7Å; Y186-Y218 HydrophobicContact CE1-CE1 4.1Å; L189-Y218 HydrophobicContact CD1-CE2 3.76Å; I211-Y218 HydrophobicContact CG2-CD2 3.43Å; I211-Y218 VanDerWaalsContact CG2-CD2 3.43Å; I211-Y218 HydrophobicContact CG2-CE2 4.08Å; I211-Y218 HydrophobicContact CG2-CG 3.8Å; Y215-Y218 PolarHBondContact O-N 3.09Å; Y215-Y218 VanDerWaalsContact O-N 3.13Å; P216-Y218 PolarHBondContact O-N 3.13Å; Y218-W225 HydrophobicContact CD1-CB 3.96Å; Y218-W225 AromaticContact CD1-CD1 3.77Å; Y218-W225 AromaticContact CD1-CD2 3.83Å; Y218-W225 HydrophobicContact CD1-CD2 3.83Å; Y218-W225 HydrophobicContact CD1-CE3 4.38Å; Y218-W225 AromaticContact CD1-CG 3.62Å; Y218-W225 HydrophobicContact CD1-CG 3.62Å; Y218-W225 HydrophobicContact CE1-CB 4.01Å; Y218-W225 HydrophobicContact CE1-CG 4.18Å; Y218-W225 HydrophobicContact CG-CD2 4.37Å; Y218-W225 WeakPolarHBondContact O-CZ2 3.5Å; Y218-W225 PolarHBondContact O-NE1 3.35Å
219R91.2Very high92.9Very high150 Ų15064.6 Ų64.657%0.56634%0.336SS*.Hα-helixtrans-75.1-43173.1-59.7171.2-170.5154.68.8111.6T212 K213 P216 Y217T212-R219 HydrophobicContact CG2-CG 4.48Å; T212-R219 PolarHBondContact O-NE 3.07Å; T212-R219 PolarHBondContact O-NH2 3.48Å; K213-R219 PolarHBondContact O-NH2 2.96Å; P216-R219 VanDerWaalsContact O-CB 3.23Å; P216-R219 WeakPolarHBondContact O-CB 3.48Å; P216-R219 VanDerWaalsContact O-CG 3.3Å; P216-R219 WeakPolarHBondContact O-CG 3.28Å; P216-R219 PolarHBondContact O-N 3.16Å; Y217-R219 VanDerWaalsContact C-N 3.29Å; Y217-R219 PolarHBondContact O-N 3Å
220T86.4Confident92.9Very high117 Ų11765.5 Ų65.572%0.71833%0.331SS*.Hα-helixtrans-95.2-26.2-176.450.10000112.8Y217Y217-T220 PolarHBondContact O-OG1 3.47Å
221A85.9Confident93Very high27 Ų2769 Ų6922%0.22335%0.347CS..SBendtrans-66.1146.7178.600000114.1Y217Y217-A221 HydrophobicContact CE1-CB 4.35Å; Y217-A221 VanDerWaalsContact O-CB 3.23Å; Y217-A221 WeakPolarHBondContact O-CB 3.3Å; Y217-A221 PolarHBondContact O-N 2.96Å
222D86.6Confident93Very high147 Ų14770.1 Ų70.179%0.78635%0.353SS*.  trans-46.9140.4179.3-77.4-50.6000114.4G224 W225D222-G224 PolarHBondContact O-N 3.44Å; D222-W225 PolarHBondContact O-N 2.91Å; D222-W225 VanDerWaalsContact O-N 3.14Å
223K90.3Very high93.1Very high169 Ų16968.4 Ų68.474%0.73534%0.342SS*.THydrogen-bonded Turntrans-57.1-5.3177-60.3-178.7-176.7176.60114.6W225 Q226K223-W225 PolarHBondContact O-N 3.14Å; K223-Q226 WeakPolarHBondContact O-CB 3.29Å; K223-Q226 PolarHBondContact O-N 3.22Å
224G92.7Very high93.2Very high47 Ų4764.9 Ų64.949%0.48534%0.338SS..Hα-helixtrans-55.3-33167.600000114D222 Q226 N227 S228D222-G224 PolarHBondContact O-N 3.44Å; G224-Q226 VanDerWaalsContact C-N 3.29Å; G224-Q226 PolarHBondContact O-N 3.18Å; G224-N227 VanDerWaalsContact O-CB 3.3Å; G224-N227 WeakPolarHBondContact O-CB 3.39Å; G224-N227 PolarHBondContact O-N 3.36Å; G224-S228 PolarHBondContact O-N 3.41Å
225W94.6Very high93.3Very high14 Ų1466.8 Ų66.85%0.05335%0.348CS..Hα-helixtrans-63.2-35.3177.271.5-105000112.4Y186 Y208 I211 T212 Y218 D222 K223 N227 S228 I229Y186-W225 HydrophobicContact CE1-CB 4.32Å; Y208-W225 HydrophobicContact CD1-CH2 4.1Å; Y208-W225 AromaticContact CD1-CZ3 3.87Å; Y208-W225 HydrophobicContact CD1-CZ3 3.87Å; Y208-W225 HydrophobicContact CG-CH2 4.37Å; I211-W225 HydrophobicContact CB-CH2 4.41Å; I211-W225 HydrophobicContact CB-CZ3 4.28Å; I211-W225 HydrophobicContact CD1-CZ3 4.33Å; I211-W225 HydrophobicContact CG2-CH2 4.26Å; I211-W225 HydrophobicContact CG2-CZ3 4.03Å; T212-W225 HydrophobicContact CG2-CH2 3.91Å; T212-W225 HydrophobicContact CG2-CZ2 3.62Å; Y218-W225 HydrophobicContact CD1-CB 3.96Å; Y218-W225 AromaticContact CD1-CD1 3.77Å; Y218-W225 AromaticContact CD1-CD2 3.83Å; Y218-W225 HydrophobicContact CD1-CD2 3.83Å; Y218-W225 HydrophobicContact CD1-CE3 4.38Å; Y218-W225 AromaticContact CD1-CG 3.62Å; Y218-W225 HydrophobicContact CD1-CG 3.62Å; Y218-W225 HydrophobicContact CE1-CB 4.01Å; Y218-W225 HydrophobicContact CE1-CG 4.18Å; Y218-W225 HydrophobicContact CG-CD2 4.37Å; Y218-W225 WeakPolarHBondContact O-CZ2 3.5Å; Y218-W225 PolarHBondContact O-NE1 3.35Å; D222-W225 PolarHBondContact O-N 2.91Å; D222-W225 VanDerWaalsContact O-N 3.14Å; K223-W225 PolarHBondContact O-N 3.14Å; W225-N227 PolarHBondContact O-N 2.76Å; W225-S228 WeakPolarHBondContact O-CA 3.32Å; W225-S228 WeakPolarHBondContact O-CB 3.45Å; W225-S228 PolarHBondContact O-N 3.16Å; W225-I229 HydrophobicContact CE3-CG1 3.88Å; W225-I229 HydrophobicContact CZ3-CG1 4.06Å; W225-I229 PolarHBondContact O-N 2.95Å
226Q95.6Very high93.4Very high50 Ų5066.8 Ų66.823%0.23435%0.35CS..Hα-helixtrans-62.9-30.2174.7-59.8-178.4-7.300111.8Y208 K223 G224 I229 R230Y208-Q226 HydrophobicContact CD1-CB 4.2Å; Y208-Q226 HydrophobicContact CD1-CG 3.96Å; Y208-Q226 HydrophobicContact CE1-CB 3.63Å; Y208-Q226 HydrophobicContact CE1-CG 3.91Å; Y208-Q226 HydrophobicContact CG-CG 4.37Å; K223-Q226 WeakPolarHBondContact O-CB 3.29Å; K223-Q226 PolarHBondContact O-N 3.22Å; G224-Q226 VanDerWaalsContact C-N 3.29Å; G224-Q226 PolarHBondContact O-N 3.18Å; Q226-I229 PolarHBondContact O-N 3.48Å; Q226-R230 WeakPolarHBondContact O-CG 2.91Å; Q226-R230 PolarHBondContact O-N 3.31Å; Q226-R230 VanDerWaalsContact O-N 3.1Å; Q226-R230 PolarHBondContact O-NH1 3.06Å
227N96.3Very high93.5Very high93 Ų9376.6 Ų76.650%0.49738%0.383SS..Hα-helixtrans-70.8-38173.3-157.252.8000111.7G224 W225 I229 R230 H231G224-N227 VanDerWaalsContact O-CB 3.3Å; G224-N227 WeakPolarHBondContact O-CB 3.39Å; G224-N227 PolarHBondContact O-N 3.36Å; W225-N227 PolarHBondContact O-N 2.76Å; N227-I229 VanDerWaalsContact C-N 3.3Å; N227-I229 PolarHBondContact O-N 3.04Å; N227-R230 PolarHBondContact O-N 3.23Å; N227-R230 PolarHBondContact OD1-NE 3.45Å; N227-R230 PolarHBondContact OD1-NH2 3.28Å; N227-H231 WeakPolarHBondContact O-CB 3.46Å; N227-H231 PolarHBondContact O-N 2.84Å
228S96.6Very high93.7Very high35 Ų3576.3 Ų76.325%0.24538%0.382CS..Hα-helixtrans-62.2-36.7171.8-52.30000112.4Y186 G224 W225 H231 N232Y186-S228 VanDerWaalsContact CD2-CB 3.46Å; G224-S228 PolarHBondContact O-N 3.41Å; W225-S228 WeakPolarHBondContact O-CA 3.32Å; W225-S228 WeakPolarHBondContact O-CB 3.45Å; W225-S228 PolarHBondContact O-N 3.16Å; S228-H231 PolarHBondContact O-N 3.11Å; S228-N232 PolarHBondContact O-N 2.86Å; S228-N232 PolarHBondContact O-ND2 2.99Å
229I97.3Very high93.8Very high0 Ų076.6 Ų76.60%038%0.383CS..Hα-helixtrans-63.8-52.1173.7-65.6-67.1000111.3Y186 I190 L204 I207 Y208 I211 W225 Q226 N227 H231 N232 L233Y186-I229 HydrophobicContact CD1-CD1 4.08Å; Y186-I229 HydrophobicContact CG-CD1 4.49Å; I190-I229 HydrophobicContact CD1-CD1 4.04Å; I190-I229 HydrophobicContact CD1-CG2 4.23Å; I190-I229 HydrophobicContact CG1-CD1 3.79Å; I190-I229 HydrophobicContact CG1-CG2 4.23Å; L204-I229 HydrophobicContact CD1-CG2 4.28Å; I207-I229 HydrophobicContact CG2-CG2 3.8Å; Y208-I229 HydrophobicContact CD1-CG2 4.35Å; Y208-I229 HydrophobicContact CE1-CB 4.17Å; Y208-I229 HydrophobicContact CE1-CG2 3.98Å; I211-I229 HydrophobicContact CD1-CD1 3.46Å; I211-I229 VanDerWaalsContact CD1-CD1 3.46Å; I211-I229 HydrophobicContact CD1-CG1 4.15Å; W225-I229 HydrophobicContact CE3-CG1 3.88Å; W225-I229 HydrophobicContact CZ3-CG1 4.06Å; W225-I229 PolarHBondContact O-N 2.95Å; Q226-I229 PolarHBondContact O-N 3.48Å; N227-I229 VanDerWaalsContact C-N 3.3Å; N227-I229 PolarHBondContact O-N 3.04Å; I229-H231 PolarHBondContact O-N 3.35Å; I229-N232 PolarHBondContact O-N 3.43Å; I229-L233 HydrophobicContact CG2-CD1 4.07Å; I229-L233 WeakPolarHBondContact O-CG 3.42Å; I229-L233 PolarHBondContact O-N 3.15Å
230R97.1Very high94.1Very high95 Ų9572.6 Ų72.636%0.35837%0.372SS..Hα-helixtrans-56.3-38.6176-69.7-175.5-60.1-94.911.4112.7L204 Y208 Q226 N227 S234L204-R230 HydrophobicContact CD1-CG 3.96Å; L204-R230 HydrophobicContact CD2-CG 3.97Å; Y208-R230 WeakPolarHBondContact OH-CG 3.29Å; Y208-R230 PolarHBondContact OH-NH1 3.35Å; Q226-R230 WeakPolarHBondContact O-CG 2.91Å; Q226-R230 PolarHBondContact O-N 3.31Å; Q226-R230 VanDerWaalsContact O-N 3.1Å; Q226-R230 PolarHBondContact O-NH1 3.06Å; N227-R230 PolarHBondContact O-N 3.23Å; N227-R230 PolarHBondContact OD1-NE 3.45Å; N227-R230 PolarHBondContact OD1-NH2 3.28Å; R230-S234 PolarHBondContact O-N 2.93Å; R230-S234 PolarHBondContact O-OG 2.81Å
231H96.8Very high94.6Very high102 Ų10273.9 Ų73.947%0.47237%0.368SS..Hα-helixtrans-66.8-45174.8177.645.5000112N227 S228 I229 L233 S234 L235N227-H231 WeakPolarHBondContact O-CB 3.46Å; N227-H231 PolarHBondContact O-N 2.84Å; S228-H231 PolarHBondContact O-N 3.11Å; I229-H231 PolarHBondContact O-N 3.35Å; H231-L233 VanDerWaalsContact C-N 3.33Å; H231-L233 PolarHBondContact O-N 3.13Å; H231-S234 PolarHBondContact O-N 2.8Å; H231-S234 PolarHBondContact O-OG 2.98Å; H231-L235 WeakPolarHBondContact O-CB 3.38Å; H231-L235 PolarHBondContact O-N 3.04Å
232N97.3Very high94.9Very high25 Ų2574.8 Ų74.813%0.13437%0.37CS..Hα-helixtrans-65.4-35.5179.6-84.5-101.3000112.6I190 S228 I229 S234 N236I190-N232 HydrophobicContact CD1-CB 3.66Å; S228-N232 PolarHBondContact O-N 2.86Å; S228-N232 PolarHBondContact O-ND2 2.99Å; I229-N232 PolarHBondContact O-N 3.43Å; N232-S234 VanDerWaalsContact C-N 3.28Å; N232-S234 PolarHBondContact O-N 3.3Å; N232-N236 PolarHBondContact O-N 3.27Å; N232-N236 PolarHBondContact O-ND2 2.66Å
233L96.3Very high95.2Very high3 Ų371.5 Ų71.52%0.01636%0.364CS..Hα-helixtrans-63.7-29.5174.4-72169000113.7I190 L204 I207 I229 H231 F239 W255I190-L233 HydrophobicContact CD1-CD2 4.15Å; I190-L233 HydrophobicContact CD1-CG 4Å; I190-L233 HydrophobicContact CG2-CD2 3.67Å; L204-L233 HydrophobicContact CD1-CD1 3.56Å; I207-L233 HydrophobicContact CD1-CD1 3.93Å; I207-L233 HydrophobicContact CD1-CD2 4.04Å; I229-L233 HydrophobicContact CG2-CD1 4.07Å; I229-L233 WeakPolarHBondContact O-CG 3.42Å; I229-L233 PolarHBondContact O-N 3.15Å; H231-L233 VanDerWaalsContact C-N 3.33Å; H231-L233 PolarHBondContact O-N 3.13Å; L233-F239 HydrophobicContact CD2-CB 4.14Å; L233-F239 HydrophobicContact CD2-CD2 4.09Å; L233-F239 HydrophobicContact CD2-CG 4.02Å; L233-W255 HydrophobicContact CB-CD2 4.24Å; L233-W255 HydrophobicContact CB-CE3 4.14Å; L233-W255 HydrophobicContact CB-CH2 3.94Å; L233-W255 HydrophobicContact CB-CZ2 4.06Å; L233-W255 HydrophobicContact CB-CZ3 3.98Å; L233-W255 HydrophobicContact CD1-CD2 4.23Å; L233-W255 HydrophobicContact CD1-CG 4.31Å; L233-W255 HydrophobicContact CD2-CB 4.15Å; L233-W255 HydrophobicContact CD2-CD2 3.81Å; L233-W255 HydrophobicContact CD2-CE3 3.92Å; L233-W255 HydrophobicContact CD2-CG 3.91Å; L233-W255 HydrophobicContact CG-CD2 4.32Å; L233-W255 WeakPolarHBondContact O-CZ3 3.49Å
234S95Very high95.1Very high89 Ų8966.2 Ų66.262%0.62234%0.339SS*.Hα-helixtrans-99.2-19.9179.345.20000114R230 H231 N232R230-S234 PolarHBondContact O-N 2.93Å; R230-S234 PolarHBondContact O-OG 2.81Å; H231-S234 PolarHBondContact O-N 2.8Å; H231-S234 PolarHBondContact O-OG 2.98Å; N232-S234 VanDerWaalsContact C-N 3.28Å; N232-S234 PolarHBondContact O-N 3.3Å
235L94.8Very high94.7Very high105 Ų10567 Ų6755%0.5534%0.337SS..Hα-helixtrans-77.8-38177.2-179.568000112.5H231H231-L235 WeakPolarHBondContact O-CB 3.38Å; H231-L235 PolarHBondContact O-N 3.04Å
236N94.8Very high93.8Very high33 Ų3375.4 Ų75.418%0.17638%0.377CS..  trans-101.7115.5-170.5-63.1-77.6000111.2N232 Y238 F239N232-N236 PolarHBondContact O-N 3.27Å; N232-N236 PolarHBondContact O-ND2 2.66Å; N236-Y238 HydrophobicContact CB-CD1 4.12Å; N236-Y238 HydrophobicContact CB-CD2 3.92Å; N236-Y238 HydrophobicContact CB-CE1 3.7Å; N236-Y238 HydrophobicContact CB-CE2 3.52Å; N236-Y238 HydrophobicContact CB-CG 4.23Å; N236-Y238 VanDerWaalsContact CG-CZ 3.45Å; N236-Y238 PolarHBondContact O-N 2.79Å; N236-Y238 VanDerWaalsContact O-N 3.11Å; N236-Y238 PolarHBondContact OD1-OH 2.86Å; N236-F239 HydrophobicContact CB-CD2 3.95Å; N236-F239 HydrophobicContact CB-CE2 4.34Å; N236-F239 PolarHBondContact O-N 3.2Å
237R93.7Very high92.9Very high238 Ų23881 Ų8190%0.89840%0.403SS*.THydrogen-bonded Turntrans-60.2-23.1-177.6-67.2-177-179.9166.6-1.1114.7F239R237-F239 PolarHBondContact O-N 3.45Å
238Y95.3Very high91.9Very high60 Ų6082.4 Ų82.424%0.23541%0.407CS..THydrogen-bonded Turntrans-73.1-8.1176.152.8-112.5000114N236 I257 D258 S261 L265N236-Y238 HydrophobicContact CB-CD1 4.12Å; N236-Y238 HydrophobicContact CB-CD2 3.92Å; N236-Y238 HydrophobicContact CB-CE1 3.7Å; N236-Y238 HydrophobicContact CB-CE2 3.52Å; N236-Y238 HydrophobicContact CB-CG 4.23Å; N236-Y238 VanDerWaalsContact CG-CZ 3.45Å; N236-Y238 PolarHBondContact O-N 2.79Å; N236-Y238 VanDerWaalsContact O-N 3.11Å; N236-Y238 PolarHBondContact OD1-OH 2.86Å; Y238-I257 CarbonylContact O-C 3.55Å; Y238-I257 WeakPolarHBondContact O-CA 3.33Å; Y238-D258 PolarHBondContact O-N 3.04Å; Y238-S261 WeakPolarHBondContact CB-OG 3.27Å; Y238-L265 HydrophobicContact CD1-CD1 4.35Å; Y238-L265 HydrophobicContact CD2-CD2 3.39Å; Y238-L265 HydrophobicContact CD2-CG 4.46Å; Y238-L265 HydrophobicContact CE2-CD2 3.75Å; Y238-L265 HydrophobicContact CG-CD1 4.34Å; Y238-L265 HydrophobicContact CG-CD2 3.79Å
239F96.4Very high90.7Very high9 Ų986.9 Ų86.94%0.03944%0.435CS..EExtended strand (participates in β ladder)trans-96.4102.8166.9-65.7-47.6000109.5I190 V191 I194 L233 N236 R237 W255 R256 I257I190-F239 HydrophobicContact CB-CE1 4.09Å; I190-F239 HydrophobicContact CB-CE2 4.07Å; I190-F239 HydrophobicContact CB-CZ 3.55Å; I190-F239 HydrophobicContact CD1-CE2 3.91Å; I190-F239 HydrophobicContact CD1-CZ 4.29Å; I190-F239 HydrophobicContact CG2-CD1 3.98Å; I190-F239 HydrophobicContact CG2-CD2 4.42Å; I190-F239 HydrophobicContact CG2-CE1 3.4Å; I190-F239 VanDerWaalsContact CG2-CE1 3.4Å; I190-F239 HydrophobicContact CG2-CE2 3.88Å; I190-F239 HydrophobicContact CG2-CG 4.46Å; I190-F239 HydrophobicContact CG2-CZ 3.34Å; V191-F239 HydrophobicContact CG2-CE1 3.89Å; V191-F239 HydrophobicContact CG2-CZ 3.9Å; I194-F239 HydrophobicContact CD1-CD1 4.21Å; I194-F239 HydrophobicContact CD1-CE1 4.29Å; L233-F239 HydrophobicContact CD2-CB 4.14Å; L233-F239 HydrophobicContact CD2-CD2 4.09Å; L233-F239 HydrophobicContact CD2-CG 4.02Å; N236-F239 HydrophobicContact CB-CD2 3.95Å; N236-F239 HydrophobicContact CB-CE2 4.34Å; N236-F239 PolarHBondContact O-N 3.2Å; R237-F239 PolarHBondContact O-N 3.45Å; F239-W255 HydrophobicContact CB-CE3 4.19Å; F239-W255 HydrophobicContact CB-CZ3 4.49Å; F239-R256 CarbonylContact C-O 3.57Å; F239-R256 WeakPolarHBondContact CA-O 3.41Å; F239-I257 HydrophobicContact CD1-CG1 4.35Å; F239-I257 HydrophobicContact CE1-CG1 4.2Å
240I96.1Very high89.9Confident67 Ų6788.4 Ų88.434%0.34445%0.451SS..EExtended strand (participates in β ladder)trans-90.1133.1-179.963.6177.7000110.2V242 W255 R256 D258I240-V242 HydrophobicContact CD1-CG2 4.43Å; I240-V242 HydrophobicContact CG1-CG2 4.2Å; I240-W255 WeakPolarHBondContact O-CA 3.4Å; I240-R256 HydrophobicContact CD1-CB 4.17Å; I240-R256 HydrophobicContact CG1-CB 3.76Å; I240-R256 PolarHBondContact N-O 2.83Å; I240-R256 PolarHBondContact O-N 3.05Å; I240-D258 HydrophobicContact CG2-CB 4.21Å
241K96.3Very high89.1Confident144 Ų14493.8 Ų93.863%0.62648%0.477SS*.EExtended strand (participates in β ladder)trans-86.7117.6175.8-177.7-167.7170.9-164.50108.9S253 W255K241-S253 WeakPolarHBondContact CE-OG 3.26Å; K241-W255 HydrophobicContact CB-CE3 4.09Å; K241-W255 HydrophobicContact CB-CH2 3.96Å; K241-W255 HydrophobicContact CB-CZ2 4.36Å; K241-W255 HydrophobicContact CB-CZ3 3.8Å; K241-W255 HydrophobicContact CG-CH2 4.36Å; K241-W255 HydrophobicContact CG-CZ2 4.31Å
242V94.1Very high88.7Confident45 Ų4591.5 Ų91.527%0.27348%0.481SS..EExtended strand (participates in β ladder)trans-107.5133.3-177.8-173.90000109.5I240 S253 F254 R256I240-V242 HydrophobicContact CD1-CG2 4.43Å; I240-V242 HydrophobicContact CG1-CG2 4.2Å; V242-S253 WeakPolarHBondContact O-CB 3.35Å; V242-F254 HydrophobicContact CB-CB 4.26Å; V242-F254 PolarHBondContact N-O 3.19Å; V242-F254 PolarHBondContact O-N 2.86Å; V242-R256 HydrophobicContact CG2-CB 4.23Å; V242-R256 HydrophobicContact CG2-CG 3.96Å
243A91.9Very high88.5Confident78 Ų7891.6 Ų91.665%0.64548%0.484SS*.PPolyproline II helixtrans-62.4157.3173.500000110.7
244R87.8Confident88.5Confident59 Ų5993.3 Ų93.322%0.22349%0.491CS..PPolyproline II helixtrans-77.1157167.3-61.9-170.2-176.8-84.43.9109.5G250 K251 G252 F254R244-G250 VanDerWaalsContact CD-O 3.23Å; R244-G250 WeakPolarHBondContact CD-O 2.96Å; R244-G250 VanDerWaalsContact NE-C 3.34Å; R244-G250 PolarHBondContact NE-O 2.8Å; R244-K251 PolarHBondContact NH2-O 2.99Å; R244-G252 PolarHBondContact NE-O 3.38Å; R244-F254 HydrophobicContact CB-CE2 4.49Å; R244-F254 HydrophobicContact CG-CD2 4.02Å; R244-F254 HydrophobicContact CG-CE2 3.94Å; R244-F254 VanDerWaalsContact NH1-CE2 3.33Å; R244-F254 VanDerWaalsContact NH1-CZ 3.32Å
245S84.4Confident88.6Confident63 Ų6391 Ų9144%0.44147%0.469SS..PPolyproline II helixtrans-58.2146.915744.80000109.5E247 E248S245-E247 PolarHBondContact O-N 2.81Å; S245-E248 PolarHBondContact O-N 3.31Å
246Q76.4Confident88.6Confident190 Ų19090.4 Ų90.489%0.88846%0.459SS*.THydrogen-bonded Turntrans-67.5-20.1178.4-178.158.826.600112.7E248Q246-E248 VanDerWaalsContact C-N 3.34Å
247E76.8Confident88.7Confident167 Ų16789.2 Ų89.278%0.7845%0.453SS*.THydrogen-bonded Turntrans-63.2-33.3175.3-178.6177.6-138.500113.5S245 P249S245-E247 PolarHBondContact O-N 2.81Å; E247-P249 WeakPolarHBondContact O-CD 3.28Å
248E75Confident88.8Confident123 Ų12380.6 Ų80.658%0.57543%0.425SS*.  trans-111.491.5-173.1-86.4-69.115000110.9S245 Q246 G250S245-E248 PolarHBondContact O-N 3.31Å; Q246-E248 VanDerWaalsContact C-N 3.34Å; E248-G250 PolarHBondContact O-N 3.5Å
249P70.5Confident88.8Confident129 Ų12982 Ų8284%0.83844%0.441SS*.  trans-73.451.9-175.530.9-37.3000113.8E247E247-P249 WeakPolarHBondContact O-CD 3.28Å
250G80.4Confident88.7Confident33 Ų3385.8 Ų85.834%0.3447%0.474SS..  trans-86.6144.4-177.500000114.5R244 E248 G252R244-G250 VanDerWaalsContact CD-O 3.23Å; R244-G250 WeakPolarHBondContact CD-O 2.96Å; R244-G250 VanDerWaalsContact NE-C 3.34Å; R244-G250 PolarHBondContact NE-O 2.8Å; E248-G250 PolarHBondContact O-N 3.5Å; G250-G252 PolarHBondContact O-N 2.75Å
251K80.8Confident88.5Confident207 Ų20783.6 Ų83.690%0.947%0.465SS*.SBendtrans-62126.5177.7-174172.4-177.41710112.4R244R244-K251 PolarHBondContact NH2-O 2.99Å
252G88.5Confident88.3Confident54 Ų5478.4 Ų78.456%0.55744%0.443SS*.SBendtrans84.2-157.1174.200000114.4R244 G250R244-G252 PolarHBondContact NE-O 3.38Å; G250-G252 PolarHBondContact O-N 2.75Å
253S94Very high88.2Confident28 Ų2878.7 Ų78.720%0.19646%0.455CS..  trans-131.8160.9-172.8-53.20000111.4K241 V242K241-S253 WeakPolarHBondContact CE-OG 3.26Å; V242-S253 WeakPolarHBondContact O-CB 3.35Å
254F95.4Very high88.3Confident38 Ų3882.1 Ų82.117%0.16746%0.455CS..EExtended strand (participates in β ladder)trans-79.8154.2169.4-70.8-78.5000110.7Q201 T203 V242 R244Q201-F254 HydrophobicContact CB-CD1 4.41Å; Q201-F254 HydrophobicContact CG-CD1 3.89Å; Q201-F254 HydrophobicContact CG-CE1 4.3Å; Q201-F254 HydrophobicContact CG-CG 4.42Å; T203-F254 HydrophobicContact CG2-CD1 3.8Å; T203-F254 HydrophobicContact CG2-CE1 3.67Å; T203-F254 HydrophobicContact CG2-CZ 4.37Å; V242-F254 HydrophobicContact CB-CB 4.26Å; V242-F254 PolarHBondContact N-O 3.19Å; V242-F254 PolarHBondContact O-N 2.86Å; R244-F254 HydrophobicContact CB-CE2 4.49Å; R244-F254 HydrophobicContact CG-CD2 4.02Å; R244-F254 HydrophobicContact CG-CE2 3.94Å; R244-F254 VanDerWaalsContact NH1-CE2 3.33Å; R244-F254 VanDerWaalsContact NH1-CZ 3.32Å
255W96.8Very high88.4Confident40 Ų4080.4 Ų80.415%0.15245%0.45CS..EExtended strand (participates in β ladder)trans-121.9132.8170.7-67.791.7000108.9I194 Q201 L202 I207 L233 F239 I240 K241I194-W255 HydrophobicContact CD1-CB 4.3Å; Q201-W255 CarbonylContact C-O 3.58Å; Q201-W255 WeakPolarHBondContact CA-O 3.46Å; L202-W255 PolarHBondContact N-O 2.82Å; L202-W255 PolarHBondContact O-N 3.04Å; I207-W255 HydrophobicContact CD1-CB 4.31Å; L233-W255 HydrophobicContact CB-CD2 4.24Å; L233-W255 HydrophobicContact CB-CE3 4.14Å; L233-W255 HydrophobicContact CB-CH2 3.94Å; L233-W255 HydrophobicContact CB-CZ2 4.06Å; L233-W255 HydrophobicContact CB-CZ3 3.98Å; L233-W255 HydrophobicContact CD1-CD2 4.23Å; L233-W255 HydrophobicContact CD1-CG 4.31Å; L233-W255 HydrophobicContact CD2-CB 4.15Å; L233-W255 HydrophobicContact CD2-CD2 3.81Å; L233-W255 HydrophobicContact CD2-CE3 3.92Å; L233-W255 HydrophobicContact CD2-CG 3.91Å; L233-W255 HydrophobicContact CG-CD2 4.32Å; L233-W255 WeakPolarHBondContact O-CZ3 3.49Å; F239-W255 HydrophobicContact CB-CE3 4.19Å; F239-W255 HydrophobicContact CB-CZ3 4.49Å; I240-W255 WeakPolarHBondContact O-CA 3.4Å; K241-W255 HydrophobicContact CB-CE3 4.09Å; K241-W255 HydrophobicContact CB-CH2 3.96Å; K241-W255 HydrophobicContact CB-CZ2 4.36Å; K241-W255 HydrophobicContact CB-CZ3 3.8Å; K241-W255 HydrophobicContact CG-CH2 4.36Å; K241-W255 HydrophobicContact CG-CZ2 4.31Å
256R96Very high88.8Confident93 Ų9380.2 Ų80.235%0.35144%0.444SS..EExtended strand (participates in β ladder)trans-124.2161.8176.1-67.3-173.373179-6.1110Q201 F239 I240 V242Q201-R256 HydrophobicContact CB-CG 3.31Å; F239-R256 CarbonylContact C-O 3.57Å; F239-R256 WeakPolarHBondContact CA-O 3.41Å; I240-R256 HydrophobicContact CD1-CB 4.17Å; I240-R256 HydrophobicContact CG1-CB 3.76Å; I240-R256 PolarHBondContact N-O 2.83Å; I240-R256 PolarHBondContact O-N 3.05Å; V242-R256 HydrophobicContact CG2-CB 4.23Å; V242-R256 HydrophobicContact CG2-CG 3.96Å
257I96.6Very high89.5Confident8 Ų876.2 Ų76.24%0.04143%0.425CS..EExtended strand (participates in β ladder)trans-84.2138.7164.5-59.7158.7000107.5V191 I194 T195 Y238 F239 P259 E262 L265V191-I257 HydrophobicContact CB-CD1 4.37Å; V191-I257 HydrophobicContact CG1-CD1 3.85Å; V191-I257 HydrophobicContact CG2-CD1 4.36Å; I194-I257 HydrophobicContact CB-CD1 4.14Å; I194-I257 HydrophobicContact CB-CG1 4.36Å; I194-I257 HydrophobicContact CD1-CG1 4.31Å; I194-I257 HydrophobicContact CG2-CD1 3.97Å; I194-I257 HydrophobicContact CG2-CG1 4.02Å; T195-I257 HydrophobicContact CG2-CD1 3.67Å; Y238-I257 CarbonylContact O-C 3.55Å; Y238-I257 WeakPolarHBondContact O-CA 3.33Å; F239-I257 HydrophobicContact CD1-CG1 4.35Å; F239-I257 HydrophobicContact CE1-CG1 4.2Å; I257-P259 WeakPolarHBondContact O-CD 3.36Å; I257-E262 HydrophobicContact CG2-CB 4.06Å; I257-E262 HydrophobicContact CG2-CG 4.23Å; I257-L265 HydrophobicContact CG1-CD2 4.48Å; I257-L265 HydrophobicContact CG2-CB 4.49Å; I257-L265 HydrophobicContact CG2-CD2 3.6Å
258D96.3Very high90.1Very high58 Ų5873.8 Ų73.831%0.3141%0.414SS..  trans-60.1118.8169.5166.720.3000110Y238 I240 A260 S261 E262Y238-D258 PolarHBondContact O-N 3.04Å; I240-D258 HydrophobicContact CG2-CB 4.21Å; D258-A260 PolarHBondContact O-N 3.17Å; D258-A260 VanDerWaalsContact O-N 3.12Å; D258-A260 PolarHBondContact OD1-N 2.67Å; D258-A260 VanDerWaalsContact OD1-N 3.09Å; D258-S261 WeakPolarHBondContact O-CA 3.32Å; D258-S261 PolarHBondContact O-N 3.13Å; D258-S261 PolarHBondContact O-OG 3.46Å; D258-E262 PolarHBondContact O-N 2.88Å; D258-E262 VanDerWaalsContact O-N 3.08Å
259P94.1Very high90.8Very high90 Ų9068 Ų6858%0.58439%0.387SS*.Hα-helixtrans-52.2-33.9-179.2-28.636.4000114.4I257 S261 E262I257-P259 WeakPolarHBondContact O-CD 3.36Å; P259-S261 PolarHBondContact O-N 3.02Å; P259-S261 VanDerWaalsContact O-N 3.17Å; P259-E262 PolarHBondContact O-N 2.77Å
260A94Very high91.6Very high88 Ų8867 Ų6773%0.72737%0.37SS*.Hα-helixtrans-66.2-17.7178.400000113.3D258D258-A260 PolarHBondContact O-N 3.17Å; D258-A260 VanDerWaalsContact O-N 3.12Å; D258-A260 PolarHBondContact OD1-N 2.67Å; D258-A260 VanDerWaalsContact OD1-N 3.09Å
261S91.7Very high91.9Very high21 Ų2173.1 Ų73.115%0.14738%0.382CS..Hα-helixtrans-109.7-1517975.80000114Y238 D258 P259 G263 K264 L265Y238-S261 WeakPolarHBondContact CB-OG 3.27Å; D258-S261 WeakPolarHBondContact O-CA 3.32Å; D258-S261 PolarHBondContact O-N 3.13Å; D258-S261 PolarHBondContact O-OG 3.46Å; P259-S261 PolarHBondContact O-N 3.02Å; P259-S261 VanDerWaalsContact O-N 3.17Å; S261-G263 PolarHBondContact O-N 3.2Å; S261-K264 PolarHBondContact O-N 2.96Å; S261-L265 PolarHBondContact O-N 3.26Å
262E93.3Very high91.8Very high35 Ų3570.5 Ų70.516%0.16437%0.371CS..Hα-helixtrans-54.7-53.8-163.5-170.8-173.5-170.200113.2K200 I257 D258 P259 K264 L265 I266K200-E262 WeakPolarHBondContact CD-OE1 3.11Å; K200-E262 VanDerWaalsContact CE-OE1 3.25Å; K200-E262 WeakPolarHBondContact CE-OE1 3.23Å; K200-E262 IonicContact NZ-OE1 2.86Å; K200-E262 PolarHBondContact NZ-OE1 2.88Å; K200-E262 IonicContact NZ-OE2 2.66Å; K200-E262 PolarHBondContact NZ-OE2 2.91Å; I257-E262 HydrophobicContact CG2-CB 4.06Å; I257-E262 HydrophobicContact CG2-CG 4.23Å; D258-E262 PolarHBondContact O-N 2.88Å; D258-E262 VanDerWaalsContact O-N 3.08Å; P259-E262 PolarHBondContact O-N 2.77Å; E262-K264 PolarHBondContact O-N 2.86Å; E262-L265 WeakPolarHBondContact O-CA 3.43Å; E262-L265 WeakPolarHBondContact O-CB 3.3Å; E262-L265 PolarHBondContact O-N 2.79Å; E262-I266 HydrophobicContact CG-CD1 3.74Å; E262-I266 HydrophobicContact CG-CG1 4.32Å; E262-I266 WeakPolarHBondContact O-CG1 3.26Å; E262-I266 PolarHBondContact O-N 2.97Å
263G92.4Very high91Very high51 Ų5174.5 Ų74.553%0.52637%0.369SS..Hα-helixtrans-59.7-42.9-177.400000113.5S261 L265 I266 E267S261-G263 PolarHBondContact O-N 3.2Å; G263-L265 VanDerWaalsContact C-N 3.27Å; G263-L265 PolarHBondContact O-N 2.92Å; G263-I266 PolarHBondContact O-N 3.02Å; G263-E267 PolarHBondContact O-N 3.23Å; G263-E267 VanDerWaalsContact O-N 3.11Å
264K92.1Very high89.7Confident150 Ų15084 Ų8465%0.65240%0.401SS*.Hα-helixtrans-66.1-32176.9-65.7175.7-178.1170.40111.8S261 E262 Q268S261-K264 PolarHBondContact O-N 2.96Å; E262-K264 PolarHBondContact O-N 2.86Å; K264-Q268 VanDerWaalsContact O-CG 3.29Å; K264-Q268 WeakPolarHBondContact O-CG 3.41Å; K264-Q268 PolarHBondContact O-N 3.01Å
265L91.8Very high88Confident22 Ų2287.3 Ų87.312%0.11543%0.426CS..Hα-helixtrans-73.1-46176-10764.4000112.3V191 Y238 I257 S261 E262 G263 E267 Q268 A269V191-L265 HydrophobicContact CG1-CB 4.21Å; V191-L265 HydrophobicContact CG2-CB 4.22Å; V191-L265 HydrophobicContact CG2-CD2 3.68Å; V191-L265 HydrophobicContact CG2-CG 3.97Å; Y238-L265 HydrophobicContact CD1-CD1 4.35Å; Y238-L265 HydrophobicContact CD2-CD2 3.39Å; Y238-L265 HydrophobicContact CD2-CG 4.46Å; Y238-L265 HydrophobicContact CE2-CD2 3.75Å; Y238-L265 HydrophobicContact CG-CD1 4.34Å; Y238-L265 HydrophobicContact CG-CD2 3.79Å; I257-L265 HydrophobicContact CG1-CD2 4.48Å; I257-L265 HydrophobicContact CG2-CB 4.49Å; I257-L265 HydrophobicContact CG2-CD2 3.6Å; S261-L265 PolarHBondContact O-N 3.26Å; E262-L265 WeakPolarHBondContact O-CA 3.43Å; E262-L265 WeakPolarHBondContact O-CB 3.3Å; E262-L265 PolarHBondContact O-N 2.79Å; G263-L265 VanDerWaalsContact C-N 3.27Å; G263-L265 PolarHBondContact O-N 2.92Å; L265-E267 VanDerWaalsContact C-N 3.35Å; L265-E267 PolarHBondContact O-N 3.38Å; L265-Q268 CarbonylContact O-C 3.53Å; L265-Q268 PolarHBondContact O-N 3.02Å; L265-A269 WeakPolarHBondContact O-CB 3.23Å; L265-A269 PolarHBondContact O-N 3.27Å
266I92.5Very high86.2Confident60 Ų6097.3 Ų97.331%0.30846%0.463SS..Hα-helixtrans-56.1-50.4176.5-72.1168.1000110.2T195 E262 G263 Q268 A269 F270T195-I266 HydrophobicContact CG2-CD1 4.08Å; T195-I266 HydrophobicContact CG2-CG1 3.55Å; E262-I266 HydrophobicContact CG-CD1 3.74Å; E262-I266 HydrophobicContact CG-CG1 4.32Å; E262-I266 WeakPolarHBondContact O-CG1 3.26Å; E262-I266 PolarHBondContact O-N 2.97Å; G263-I266 PolarHBondContact O-N 3.02Å; I266-Q268 PolarHBondContact O-N 3.2Å; I266-A269 VanDerWaalsContact O-CB 3.3Å; I266-A269 WeakPolarHBondContact O-CB 3.32Å; I266-A269 PolarHBondContact O-N 2.96Å; I266-F270 HydrophobicContact CG2-CE2 4.46Å; I266-F270 WeakPolarHBondContact O-CD2 3.36Å
267E90.7Very high83.8Confident106 Ų10696 Ų9650%0.49548%0.479SS..Hα-helixtrans-61.5-31-179-160.3-129.6120.300112.4G263 L265 R271G263-E267 PolarHBondContact O-N 3.23Å; G263-E267 VanDerWaalsContact O-N 3.11Å; L265-E267 VanDerWaalsContact C-N 3.35Å; L265-E267 PolarHBondContact O-N 3.38Å; E267-R271 WeakPolarHBondContact O-CD 3.45Å; E267-R271 WeakPolarHBondContact O-CG 3.47Å; E267-R271 PolarHBondContact O-NE 2.89Å; E267-R271 IonicContact OE1-CZ 3.2Å; E267-R271 IonicContact OE1-NE 3.17Å; E267-R271 PolarHBondContact OE1-NE 2.96Å; E267-R271 IonicContact OE1-NH2 2.67Å; E267-R271 PolarHBondContact OE1-NH2 3.47Å
268Q89.6Confident81.2Confident116 Ų116100.7 Ų100.754%0.54251%0.508SS..Hα-helixtrans-86.3-18174.5-67.9-179.424.600113.9Q188 K264 L265 I266 F270Q188-Q268 PolarHBondContact NE2-O 3.03Å; K264-Q268 VanDerWaalsContact O-CG 3.29Å; K264-Q268 WeakPolarHBondContact O-CG 3.41Å; K264-Q268 PolarHBondContact O-N 3.01Å; L265-Q268 CarbonylContact O-C 3.53Å; L265-Q268 PolarHBondContact O-N 3.02Å; I266-Q268 PolarHBondContact O-N 3.2Å; Q268-F270 PolarHBondContact O-N 3.45Å
269A88.8Confident78.8Confident1 Ų1102.9 Ų102.91%0.00853%0.525CS..Hα-helixtrans-65.8-41-174.700000112.6V191 Q192 L265 I266V191-A269 HydrophobicContact CB-CB 3.99Å; V191-A269 HydrophobicContact CG1-CB 3.55Å; Q192-A269 HydrophobicContact CG-CB 4.12Å; Q192-A269 PolarHBondContact NE2-O 2.8Å; L265-A269 WeakPolarHBondContact O-CB 3.23Å; L265-A269 PolarHBondContact O-N 3.27Å; I266-A269 VanDerWaalsContact O-CB 3.3Å; I266-A269 WeakPolarHBondContact O-CB 3.32Å; I266-A269 PolarHBondContact O-N 2.96Å
270F87.3Confident76.5Confident109 Ų109104.1 Ų104.148%0.47853%0.534SS..SBendtrans-91.9-11.3-176.7-59.4-79.9000113.4Q192 I266 Q268 K272Q192-F270 HydrophobicContact CG-CD1 4.38Å; Q192-F270 HydrophobicContact CG-CE1 3.96Å; Q192-F270 HydrophobicContact CG-CZ 4.22Å; I266-F270 HydrophobicContact CG2-CE2 4.46Å; I266-F270 WeakPolarHBondContact O-CD2 3.36Å; Q268-F270 PolarHBondContact O-N 3.45Å; F270-K272 PolarHBondContact O-N 3.38Å
271R86.4Confident74.2Confident160 Ų160109 Ų10960%0.60454%0.539SS*.SBendtrans-69.197.2174.6-72.1177.8-177.9-83.610.2110.5Q188 E267 R273Q188-R271 PolarHBondContact NE2-O 3.29Å; E267-R271 WeakPolarHBondContact O-CD 3.45Å; E267-R271 WeakPolarHBondContact O-CG 3.47Å; E267-R271 PolarHBondContact O-NE 2.89Å; E267-R271 IonicContact OE1-CZ 3.2Å; E267-R271 IonicContact OE1-NE 3.17Å; E267-R271 PolarHBondContact OE1-NE 2.96Å; E267-R271 IonicContact OE1-NH2 2.67Å; E267-R271 PolarHBondContact OE1-NH2 3.47Å; R271-R273 PolarHBondContact O-N 3.15Å
272K79.8Confident71.9Confident152 Ų152119 Ų11966%0.66157%0.574SS**PPolyproline II helixtrans-47.7125.8172.8-67.1-179.3179.6179.70110.1P183 Y184 F270P183-K272 HydrophobicContact CG-CB 4.17Å; P183-K272 HydrophobicContact CG-CD 4.3Å; P183-K272 HydrophobicContact CG-CG 4.06Å; Y184-K272 HydrophobicContact CE1-CB 4.33Å; Y184-K272 HydrophobicContact CE1-CG 3.76Å; Y184-K272 WeakPolarHBondContact OH-CG 3.46Å; F270-K272 PolarHBondContact O-N 3.38Å
273R72.6Confident69.4Low138 Ų138121.9 Ų121.952%0.52159%0.594SS.*PPolyproline II helixtrans-77135.8179.8-52.2-166.498.7178.19.8109.8P183 Q188 R271P183-R273 WeakPolarHBondContact O-CB 3.37Å; P183-R273 WeakPolarHBondContact O-CG 3.21Å; P183-R273 PolarHBondContact O-N 3.42Å; Q188-R273 VanDerWaalsContact OE1-CD 3.25Å; R271-R273 PolarHBondContact O-N 3.15Å
274R66.4Low67.1Low229 Ų229125.7 Ų125.786%0.86461%0.61SS**PPolyproline II helixtrans-55.1138.3166.5-69.5-177.3-180164.31.1109.5R276R274-R276 PolarHBondContact O-N 3.41Å; R274-R276 VanDerWaalsContact O-N 3.15Å
275P59.3Low65.1Low106 Ų106124.3 Ų124.369%0.68861%0.613SS**PPolyproline II helixtrans-60119.7-178.123.3-33.2000110.7G277P275-G277 PolarHBondContact O-N 2.83Å
276R58.5Low62.6Low250 Ų250126.6 Ų126.694%0.94364%0.643SS**THydrogen-bonded Turntrans-74.864.7174.6-79.6-80.3-172.9145-2.2109.8R274R274-R276 PolarHBondContact O-N 3.41Å; R274-R276 VanDerWaalsContact O-N 3.15Å
277G46.7Very low60.7Low65 Ų65129.6 Ų129.667%0.6767%0.666SS**THydrogen-bonded Turntrans-150.4-26.7-174.600000115.2P275 P279P275-G277 PolarHBondContact O-N 2.83Å; G277-P279 WeakPolarHBondContact O-CD 3.49Å
278V41.7Very low58.7Low108 Ų108132.6 Ų132.666%0.65568%0.684SS**  trans-90.3120.1172.3-74.10000111C280V278-C280 PolarHBondContact O-N 2.97Å
279P44.6Very low56.4Low103 Ų103132.9 Ų132.967%0.66970%0.7SS**  trans-65.5121.5159.5-13.529.2000107.9G277 F281G277-P279 WeakPolarHBondContact O-CD 3.49Å; P279-F281 HydrophobicContact CB-CD2 4.17Å; P279-F281 HydrophobicContact CB-CE2 4.44Å; P279-F281 PolarHBondContact O-N 2.81Å
280C47.1Very low54.1Low116 Ų116138.2 Ų138.278%0.78474%0.737SS**  trans-74.475.8172.6-660000110.3V278 R282V278-C280 PolarHBondContact O-N 2.97Å; C280-R282 PolarHBondContact O-N 2.77Å
281F45.2Very low51.9Low190 Ų190145 Ų14583%0.83376%0.759SS**  trans-68.166.5155.1-83.4-79000109.2P279P279-F281 HydrophobicContact CB-CD2 4.17Å; P279-F281 HydrophobicContact CB-CE2 4.44Å; P279-F281 PolarHBondContact O-N 2.81Å
282R42.4Very low49.7Very low231 Ų231143 Ų14387%0.87277%0.769SS**  trans-92.892.2156.5-76.7-159.4-178.9-83.44.3107C280C280-R282 PolarHBondContact O-N 2.77Å
283T41.2Very low47.9Very low96 Ų96140.1 Ų140.159%0.58977%0.774SS**  trans-54131.3168.4-40.40000108.8V285T283-V285 HydrophobicContact CG2-CG2 3.81Å; T283-V285 PolarHBondContact O-N 3.31Å
284P45.2Very low46.6Very low131 Ų131139.9 Ų139.985%0.85179%0.79SS**SBendtrans-79.565.6178.733.3-35.6000110.9
285V49.6Very low45.4Very low121 Ų121133.7 Ų133.773%0.73379%0.788SS**  trans-133.5113.8170.9-710000109.3T283T283-V285 HydrophobicContact CG2-CG2 3.81Å; T283-V285 PolarHBondContact O-N 3.31Å
286G39Very low44.2Very low71 Ų71134.4 Ų134.473%0.73280%0.796SS**  trans163.4113.7-173.600000108.8
287P52Low44Very low122 Ų122127.2 Ų127.279%0.79278%0.782SS**  trans-81.6172.3-171.334.2-36.6000112.7
288L50Low43.5Very low169 Ų169131.2 Ų131.289%0.88579%0.788SS**  trans68.189.4171.6-47-178.9000116.1
289S40.1Very low43.3Very low123 Ų123133.5 Ų133.586%0.8679%0.791SS**  -179.7129.8105-170.70000111.1
290S41.8Very low42.9Very low112 Ų112135.8 Ų135.878%0.78380%0.795SS**  trans-87124.3179.7-59.30000111.4
291R40.8Very low42.3Very low252 Ų252133.5 Ų133.595%0.95179%0.791SS**  trans-153.9129.3146.2-113166.4-167.8-99.83.2110.9
292S40Very low41.7Very low117 Ų117130.7 Ų130.782%0.81879%0.789SS**PPolyproline II helixtrans-91.4150.2-163.5-45.60000113
293A40.9Very low41.4Very low93 Ų93127.2 Ų127.277%0.76979%0.786SS**PPolyproline II helixtrans-91.1142152.100000108.7
294P46.6Very low41.2Very low132 Ų132127.4 Ų127.486%0.85779%0.792SS**PPolyproline II helixtrans-77.9140.5-174.430.8-34.8000112.4
295A41.3Very low40.9Very low99 Ų99125 Ų12582%0.81878%0.783SS**  trans-105.5132.8161.200000108.7
296S34Very low40.2Very low122 Ų122128 Ų12885%0.85379%0.789SS**  trans-75.4157.9174.6-920000112.1
297P54.9Low40.1Very low99 Ų99129.7 Ų129.764%0.64379%0.789SS**  trans-105.5-174.7-148.841.3-38.4000115.1
298N35.5Very low39.4Very low149 Ų149129.7 Ų129.780%0.79779%0.793SS**  trans82.4134.8170.8-50.8-23.5000114.4
299H37.3Very low38.6Very low155 Ų155125.2 Ų125.272%0.71879%0.787SS**  cis-143.4168.87.4-164.7-97000112.2
300M36Very low38.4Very low152 Ų152125.2 Ų125.275%0.74978%0.782SS**  trans-61.1158.5171.3-48.7102.870.700111.7
301G33.6Very low38.1Very low68 Ų68128 Ų12870%0.70178%0.782SS**  cis145.5-179.3200000111.3
302V33.8Very low37.7Very low131 Ų131121.4 Ų121.479%0.79477%0.77SS**  trans76.499.6165.1-170.60000118.8
303L36.2Very low38.2Very low157 Ų157120.6 Ų120.682%0.82276%0.762SS**  trans70.2136.8139.1-59.5175.9000125.1
304S35.7Very low37.9Very low101 Ų101123 Ų12371%0.70676%0.762SS**  trans59.499137.8-600000123.8
305A40.1Very low37.3Very low81 Ų81120.8 Ų120.867%0.66975%0.75SS**  57.3152.3109.200000123.9
306H33.6Very low37.1Very low182 Ų182123.3 Ų123.384%0.84375%0.749SS**  trans88.8112.9163.5-54.2-76.7000120.8
307S37.1Very low37.2Very low107 Ų107123.1 Ų123.175%0.74875%0.747SS**  46.7109.4128-167.90000122.4
308S37.8Very low36.4Very low123 Ų123130 Ų13086%0.8676%0.761SS**  trans38.5113.6130.4-530000122.4
309G32.6Very low36.4Very low75 Ų75132.3 Ų132.377%0.77377%0.766SS**  trans106.4159.2149.900000116.6
310V36.8Very low36.2Very low122 Ų122128.6 Ų128.674%0.73977%0.77SS**  cis-165.4144.2-5.3116.60000110.1
311Q34.6Very low36.1Very low171 Ų171127 Ų12780%0.79977%0.774SS**  trans64.2155.8169.2-72.9175.586.500117.1
312T33.4Very low37Very low113 Ų113129.2 Ų129.269%0.69378%0.776SS**  cis-172.7174.3-5.325.80000108.7
313P50.7Low37.1Very low100 Ų100129.1 Ų129.165%0.64978%0.775SS**  cis-133.6-174.8-38.839.6-22.4000113.7
314D33.6Very low37.5Very low143 Ų143127 Ų12777%0.76577%0.771SS**  trans67.1147.6156.2-88.4-76000121
315S35Very low37.4Very low86 Ų86129.9 Ų129.960%0.60178%0.776SS**  cis-151.71673.3-148.90000115.3
316L36.2Very low37.2Very low153 Ų153134.4 Ų134.480%0.80178%0.783SS**  trans57.6105.9160.9-55.4-173.1000121.3
317S36.8Very low37.1Very low118 Ų118130.8 Ų130.883%0.82579%0.785SS**  146.579.6110.4-64.50000115.2
318R38.7Very low36.6Very low244 Ų244135.1 Ų135.192%0.92179%0.793SS**  trans-163123.5154.2-147.7174.1-178.2-179.5-0.2114.7
319E34.3Very low36.5Very low196 Ų196133.3 Ų133.392%0.91679%0.785SS**  trans-128.5160.5159.5-62.5-171.498.800107.8
320G33.5Very low37.4Very low78 Ų78135.4 Ų135.480%0.80479%0.785SS**  cis-164.6173.4-3.800000110.6
321S33.7Very low38.5Very low118 Ų118135.2 Ų135.283%0.82579%0.786SS**  trans-148174179.2-150.50000107.1
322P52Low38.4Very low115 Ų115132.2 Ų132.275%0.74779%0.791SS**  cis-136-158.50.738-14.9000114.1
323V36.9Very low38.6Very low128 Ų128131.2 Ų131.278%0.77679%0.794SS**  trans-68.3168.4162.2-131.30000110.6
324P44.7Very low38.6Very low112 Ų112131.9 Ų131.973%0.72780%0.799SS**  cis-150.1174.125.744.8-23.7000121.1
325M34.3Very low38.4Very low163 Ų163132.1 Ų132.180%0.80381%0.806SS**  trans67.2139.9144.2-95.1177133.900125.7
326E34Very low38.3Very low175 Ų175135.8 Ų135.882%0.81881%0.813SS**  trans58.4128.5152.4-60.1-167.5149.300123.9
327A32.6Very low38Very low107 Ų107134.9 Ų134.988%0.88481%0.814SS**  trans-164.8164151.800000111.1
328E26.3Very low37.8Very low198 Ų198133.7 Ų133.793%0.92581%0.811SS**  trans-102.3178.9-168.7-153.7167.7108.500114.6
329A36.8Very low37.4Very low84 Ų84126.8 Ų126.869%0.69481%0.806SS**  trans-79.4-178.7-18000000112.3
330P50.6Low37.3Very low120 Ų120123.7 Ų123.778%0.77980%0.8SS**  cis-145.7-144.837.338.2-11.9000113.7
331P59.8Low37.2Very low117 Ų117128.4 Ų128.476%0.7680%0.801SS**  -123.1162-63.830.2-13.6000114.6
332A32.8Very low37.3Very low108 Ų108128.2 Ų128.289%0.89380%0.798SS**  trans167.1156.6133.400000112.5
333A38.2Very low36.1Very low93 Ų93131.8 Ų131.877%0.76980%0.802SS**  trans-137.4-170.5-178.700000109.2
334P48.8Very low35.7Very low114 Ų114133 Ų13374%0.7480%0.803SS**  cis-138.1168.1-440.9-24.2000116.5
335T30.4Very low35.1Very low148 Ų148132.5 Ų132.591%0.90881%0.808SS**  trans-156.5173.9141.9-11.10000110.9
336Q33.6Very low34.9Very low163 Ų163131.4 Ų131.476%0.76281%0.81SS**  trans-123.7149.2-152.6-55178.214.600115.9
337T29.7Very low34.9Very low134 Ų134130.9 Ų130.982%0.82281%0.811SS**  trans68.9153144.447.40000123.5
338A32.5Very low34.9Very low93 Ų93134.3 Ų134.377%0.76981%0.809SS**  trans82.771.6151.700000121.6
339A30.8Very low35.2Very low98 Ų98133.6 Ų133.681%0.8181%0.806SS**  34.7160.7116.100000124.6
340V31.1Very low34.9Very low131 Ų131134.1 Ų134.179%0.79481%0.81SS**  trans106.992.3154.4-169.30000119
341Q31.9Very low33.8Very low177 Ų177139.7 Ų139.783%0.82782%0.815SS**  trans71.1146.1143-60-69-2.900122.1
342P36.1Very low32.4Very low115 Ų115144 Ų14475%0.74782%0.823SS**  trans-109.2166.7-174.441.7-34.8000115.1
343K26.9Very low32.4Very low190 Ų190142.7 Ų142.783%0.82681%0.812SS**  trans-151.3122.6161.6-164.5163.3-175.4171.30114.4
344L28.8Very low32.2Very low153 Ų153147.7 Ų147.780%0.80182%0.819SS**  trans40113.4155.7-63.1169.2000119.6
345A30.9Very low31.4Very low101 Ų101149.2 Ų149.284%0.83582%0.821SS**PPolyproline II helixtrans-97.1138.2154.700000110.6
346V30.7Very low31.5Very low140 Ų140148 Ų14885%0.84882%0.819SS**PPolyproline II helixtrans-91.5135176.7172.20000109.7
347I34.2Very low31.7Very low164 Ų164146.8 Ų146.884%0.84183%0.825SS**PPolyproline II helixtrans-78.6123.1172.6-62.3175.2000109
348Q31.6Very low31.8Very low179 Ų179144 Ų14484%0.83682%0.822SS**PPolyproline II helixtrans-90.4135.5176.8-168.2168.84.900110.7
349E32.7Very low31.8Very low184 Ų184145.5 Ų145.586%0.8683%0.827SS**PPolyproline II helixtrans-81.1150.8-173.5-166.5168.3-156.100113
350A30.4Very low32.1Very low95 Ų95146.7 Ų146.779%0.78583%0.827SS**PPolyproline II helixtrans-73149.7-176.200000113.3
351R28.6Very low32.2Very low236 Ų236148.4 Ų148.489%0.89183%0.831SS**  trans-106.6147.1166.8-76.9-174.1168.2122.8-4110.8
352F28.8Very low32.5Very low208 Ų208147 Ų14791%0.91283%0.829SS**  trans-138.8136.6161.4-122.2-88.9000111.1
353A33.8Very low32.3Very low80 Ų80146.8 Ų146.866%0.66183%0.83SS**  trans8.2125.8170.500000121.2
354Q33.2Very low32.7Very low199 Ų199145.4 Ų145.493%0.9383%0.826SS**  -151.7154.8117.4-126.6-179.4-16.800112
355N32.5Very low33.1Very low145 Ų145143.5 Ų143.578%0.77582%0.823SS**  trans-110127.9-169.7-57.851.2000111.9
356S32.3Very low33.5Very low124 Ų124144.7 Ų144.787%0.86782%0.82SS**  trans-175.7145.2144.1-80.40000110.4
357P37.8Very low33.7Very low137 Ų137146.3 Ų146.389%0.8982%0.823SS**  trans-102.1136.2-179.515.34.8000113.3
358G31.3Very low34Very low74 Ų74145.3 Ų145.376%0.76382%0.818SS**  trans165.6119.6172.600000111.8
359S33.9Very low34.1Very low125 Ų125141.7 Ų141.787%0.87482%0.819SS**PPolyproline II helixtrans-77.3135.8-166.2-53.20000114.4
360P36.8Very low34.2Very low123 Ų123138.7 Ų138.780%0.79981%0.813SS**PPolyproline II helixtrans-88.8162.2168.936.1-34.2000112.8
361L33.5Very low34.2Very low167 Ų167142.5 Ų142.587%0.87481%0.814SS**PPolyproline II helixtrans-92.5166.8177.5-66.6169000113
362N36.8Very low34.3Very low149 Ų149142.5 Ų142.580%0.79781%0.814SS**  trans-32.5133.1168.5179.920000115.2
363S33.2Very low34.6Very low110 Ų110141.2 Ų141.277%0.76981%0.811SS**  trans-143.7130.7167.547.20000112.6
364Q34Very low34.5Very low160 Ų160145.7 Ų145.775%0.74882%0.82SS**PPolyproline II helixtrans-85.3149.6174.2-74.1-81.5-300110.8V366Q364-V366 PolarHBondContact O-N 3.28Å
365P39Very low34.6Very low113 Ų113141.6 Ų141.673%0.73481%0.811SS**PPolyproline II helixtrans-76116.9176.430.5-33000111.9
366V38.3Very low34.5Very low127 Ų127143.5 Ų143.577%0.7782%0.815SS**PPolyproline II helixtrans-90.2121.9170.4178.10000109.8Q364 I368Q364-V366 PolarHBondContact O-N 3.28Å; V366-I368 HydrophobicContact CG1-CG1 4.41Å
367L34.4Very low34.5Very low173 Ų173143.2 Ų143.291%0.90681%0.808SS**  trans-81115.7175.5-70.4169.8000110.9
368I40.8Very low34.2Very low143 Ų143143.1 Ų143.173%0.73381%0.805SS**  trans-104.8103.5172.5-57.3179.2000109.3V366 V370V366-I368 HydrophobicContact CG1-CG1 4.41Å; I368-V370 HydrophobicContact CG2-CG2 4.14Å; I368-V370 PolarHBondContact O-N 2.78Å
369A34.5Very low34.3Very low103 Ų103147.1 Ų147.185%0.85181%0.806SS**  trans-81.9102.817500000111Q371A369-Q371 PolarHBondContact O-N 3.39Å
370V34.4Very low34.2Very low122 Ų122150 Ų15074%0.73980%0.803SS**  trans-86.397.6175.7-179.50000110.3I368 R372I368-V370 HydrophobicContact CG2-CG2 4.14Å; I368-V370 PolarHBondContact O-N 2.78Å; V370-R372 PolarHBondContact O-N 2.84Å
371Q30.9Very low34.1Very low175 Ų175150.1 Ų150.182%0.81880%0.804SS**  trans-72.8108173.6-168.8178.450.900110.4A369 Q373A369-Q371 PolarHBondContact O-N 3.39Å; Q371-Q373 PolarHBondContact O-N 2.66Å
372R31Very low34.5Very low235 Ų235146.9 Ų146.989%0.88779%0.791SS**  trans-77111.7173.8-100.9-178.2167.2138.5-2.4110.7V370V370-R372 PolarHBondContact O-N 2.84Å
373Q33.3Very low34.5Very low182 Ų182146.5 Ų146.585%0.8579%0.794SS**PPolyproline II helixtrans-71.5140.7164.2-74.3-176.9-19.200110.8Q371Q371-Q373 PolarHBondContact O-N 2.66Å
374M33Very low34.4Very low173 Ų173150.8 Ų150.885%0.85280%0.795SS**PPolyproline II helixtrans-102.2135.8-178.7-179.8171.5167.800109.5Q376M374-Q376 PolarHBondContact O-N 3.45Å
375P35.5Very low34.6Very low113 Ų113148.2 Ų148.273%0.73480%0.801SS**PPolyproline II helixtrans-69.2124.6-178.827.7-34.1000110.9T377P375-T377 PolarHBondContact O-N 3.43Å
376Q30.3Very low34.2Very low186 Ų186152 Ų15287%0.86981%0.811SS**PPolyproline II helixtrans-73.1124.9172.3-70.7-171.7-13.400110.5M374M374-Q376 PolarHBondContact O-N 3.45Å
377T32.6Very low33.9Very low117 Ų117151 Ų15172%0.71882%0.816SS**  trans-93.3101.7171.851.20000109.9P375 M379P375-T377 PolarHBondContact O-N 3.43Å; T377-M379 PolarHBondContact O-N 2.83Å
378T31.3Very low33.8Very low135 Ų135149.4 Ų149.483%0.82881%0.814SS**  trans-63104.6177.5-47.70000110.9
379M32.2Very low33.8Very low158 Ų158148.8 Ų148.878%0.77882%0.819SS**PPolyproline II helixtrans-71.8140.2174.1-64.8-92.172.400110.2T377T377-M379 PolarHBondContact O-N 2.83Å
380K33.2Very low33.6Very low185 Ų185148.8 Ų148.880%0.80482%0.819SS**PPolyproline II helixtrans-98.9137.8168.3-68.1-176.9176.9-175.40109
381P34.4Very low33.4Very low127 Ų127151.4 Ų151.483%0.82583%0.825SS**PPolyproline II helixtrans-66.9143.4173.329.1-34.1000110.6
382V40.6Very low33.5Very low99 Ų99149 Ų14960%0.682%0.822SS**  trans-113.8116.7173.4178.70000108.1Y384V382-Y384 HydrophobicContact CB-CE2 3.99Å; V382-Y384 HydrophobicContact CG1-CD2 4.15Å; V382-Y384 HydrophobicContact CG1-CE1 4.35Å; V382-Y384 HydrophobicContact CG1-CE2 3.6Å
383T37Very low33.5Very low141 Ų141144 Ų14487%0.86582%0.818SS**PPolyproline II helixtrans-81.7120.6176.1-52.20000109.7
384Y32Very low33.6Very low200 Ų200141.4 Ų141.478%0.78481%0.814SS**PPolyproline II helixtrans-101.8128.6171.5-68.3-87.2000109.8V382V382-Y384 HydrophobicContact CB-CE2 3.99Å; V382-Y384 HydrophobicContact CG1-CD2 4.15Å; V382-Y384 HydrophobicContact CG1-CE1 4.35Å; V382-Y384 HydrophobicContact CG1-CE2 3.6Å
385A37.6Very low34Very low105 Ų105138.6 Ų138.687%0.86881%0.809SS**PPolyproline II helixtrans-99.6130.3168.900000109.2
386M30.6Very low33.7Very low194 Ų194139.5 Ų139.596%0.95681%0.813SS**PPolyproline II helixtrans-93.9142.9174.559.2-176.2177.900110.5
387A32.7Very low33.8Very low104 Ų104136 Ų13686%0.8681%0.808SS**  trans-133.9127.6174.700000109.9
388T32.3Very low33.8Very low141 Ų141136 Ų13687%0.86581%0.813SS**  trans-105.5154.2172.836.90000110.5
389P40.8Very low34Very low129 Ų129134.3 Ų134.384%0.83881%0.813SS**  trans-90.8158.3-161.735.5-37000114.6
390A29.9Very low34.1Very low104 Ų104132.7 Ų132.786%0.8681%0.814SS**  trans-140.1156.4164.600000110.3
391M29.7Very low33.9Very low176 Ų176130.2 Ų130.287%0.86781%0.814SS**  trans-89.4149.8-171.6-79.717154.200114.6
392V33Very low33.6Very low125 Ų125132.7 Ų132.776%0.75882%0.817SS**  trans17.6118.4139.2-1720000117.7
393T30.6Very low33.1Very low130 Ų130136.8 Ų136.880%0.79883%0.83SS**  -177.3149.1120.8-740000110
394T37Very low32.8Very low127 Ų127135.3 Ų135.378%0.77982%0.821SS**  trans-119.3167.9170.858.20000109
395P41.7Very low32.7Very low115 Ų115131.8 Ų131.875%0.74782%0.82SS**  cis-135.5-161.2828.5-2.2000114.3
396V28.7Very low32.4Very low132 Ų132134 Ų13480%0.881%0.812SS**  trans87.3111.5158.3-171.90000119.7
397S32.7Very low32.4Very low111 Ų111130.4 Ų130.478%0.77680%0.801SS**  trans27108.9141.5-161.50000121.1
398S32.4Very low32.3Very low117 Ų117130.8 Ų130.882%0.81879%0.792SS**  -176.5159.8115.841.40000110.3
399A34.4Very low32.1Very low100 Ų100132.4 Ų132.483%0.82679%0.789SS**  trans-104.1144.3177.500000111.3
400P34.7Very low31.5Very low124 Ų124133.8 Ų133.881%0.80579%0.785SS**  trans-126.8156.9147.136.2-26.3000113.7
401V28.7Very low31.5Very low133 Ų133136.1 Ų136.181%0.80678%0.781SS**  trans-68.1141.6-179.41760000112.2
402M27.7Very low31.6Very low179 Ų179132.6 Ų132.688%0.88277%0.771SS**  trans-135.3148.6150.3-65.6-155.785.900110.6
403Q30.5Very low31.4Very low185 Ų185131 Ų13186%0.86477%0.771SS**  trans-82.9135.5-176.5-64.1162-7500111.6
404T30.9Very low31.5Very low110 Ų110130.7 Ų130.768%0.67577%0.769SS**  trans-117.1110.5170.3-48.80000110.1H406T404-H406 WeakPolarHBondContact CG2-NE2 3.45Å; T404-H406 PolarHBondContact O-CD2 3.36Å; T404-H406 PolarHBondContact O-N 2.84Å
405V30.8Very low31.1Very low127 Ų127130.7 Ų130.777%0.7777%0.769SS**  trans-81.3100.2178.2-178.30000109.7V407V405-V407 HydrophobicContact CG1-CG2 4.12Å; V405-V407 PolarHBondContact O-N 2.85Å; V405-V407 VanDerWaalsContact O-N 3.14Å
406H29.8Very low30.5Very low151 Ų151133.4 Ų133.470%0.69977%0.774SS**  trans-81.986.1176.4-77.3-90.9000111.9T404 V408T404-H406 WeakPolarHBondContact CG2-NE2 3.45Å; T404-H406 PolarHBondContact O-CD2 3.36Å; T404-H406 PolarHBondContact O-N 2.84Å; H406-V408 VanDerWaalsContact C-N 3.29Å; H406-V408 HydrophobicContact CB-CG2 4.35Å; H406-V408 PolarHBondContact O-N 2.77Å
407V31.1Very low30.5Very low119 Ų119131.5 Ų131.572%0.72177%0.771SS**  trans-72.685.8164.5-176.80000109.1V405 H409V405-V407 HydrophobicContact CG1-CG2 4.12Å; V405-V407 PolarHBondContact O-N 2.85Å; V405-V407 VanDerWaalsContact O-N 3.14Å; V407-H409 PolarHBondContact O-N 3.04Å; V407-H409 VanDerWaalsContact O-N 3.12Å
408V30Very low30.5Very low111 Ų111133 Ų13367%0.67378%0.777SS**  trans-76.197.1173.8-178.40000108.9H406 Q410H406-V408 VanDerWaalsContact C-N 3.29Å; H406-V408 HydrophobicContact CB-CG2 4.35Å; H406-V408 PolarHBondContact O-N 2.77Å; V408-Q410 HydrophobicContact CG1-CB 4.36Å; V408-Q410 PolarHBondContact O-N 3.42Å
409H28.4Very low30.4Very low176 Ų176134.3 Ų134.382%0.81578%0.779SS**  trans-77.176.5173.3-145.185.2000110V407 I411V407-H409 PolarHBondContact O-N 3.04Å; V407-H409 VanDerWaalsContact O-N 3.12Å; H409-I411 PolarHBondContact O-N 2.88Å
410Q29.1Very low30.1Very low158 Ų158133.1 Ų133.174%0.73878%0.776SS**PPolyproline II helixtrans-69.7119.2-178.9-170.3-179.110500110.2V408 P412V408-Q410 HydrophobicContact CG1-CB 4.36Å; V408-Q410 PolarHBondContact O-N 3.42Å; Q410-P412 WeakPolarHBondContact O-CD 3.3Å
411I29.9Very low29.8Very low153 Ų153130.8 Ų130.879%0.78578%0.775SS**PPolyproline II helixtrans-72.7120.5172.2-58.7173.6000107.7H409H409-I411 PolarHBondContact O-N 2.88Å
412P32Very low29.9Very low101 Ų101133.7 Ų133.766%0.65678%0.78SS**PPolyproline II helixtrans-65.7136.8-176.2-23.234.8000112.9Q410 V414Q410-P412 WeakPolarHBondContact O-CD 3.3Å; P412-V414 PolarHBondContact O-N 3.46Å
413A28.6Very low30.4Very low92 Ų92131.3 Ų131.376%0.7678%0.777SS**PPolyproline II helixtrans-76.4117.7167.500000109.7T415A413-T415 PolarHBondContact O-N 3.08Å
414V31.4Very low30.3Very low124 Ų124127.4 Ų127.475%0.75278%0.777SS**  trans-87.989.8175.1-176.10000109.4P412 M416P412-V414 PolarHBondContact O-N 3.46Å; V414-M416 PolarHBondContact O-N 2.8Å
415T30.4Very low30.2Very low127 Ų127128 Ų12878%0.77979%0.786SS**  trans-75109.8169.4-54.40000109.3A413A413-T415 PolarHBondContact O-N 3.08Å
416M28.7Very low30.1Very low172 Ų172131.1 Ų131.185%0.84779%0.794SS**PPolyproline II helixtrans-83.4116.6167.6-75-164.616300109.9V414V414-M416 PolarHBondContact O-N 2.8Å
417A29.3Very low29.9Very low91 Ų91132.7 Ų132.775%0.75280%0.802SS**PPolyproline II helixtrans-83.3136175.600000110.9
418T31.5Very low29.7Very low144 Ų144132.8 Ų132.888%0.88381%0.808SS**PPolyproline II helixtrans-75.9121.7172.346.20000110.8
419V29.6Very low30.2Very low144 Ų144133.3 Ų133.387%0.87381%0.813SS**  trans-95.8115.3164.8178.40000108.2
420G28.2Very low30.2Very low74 Ų74133.5 Ų133.576%0.76382%0.815SS**PPolyproline II helixtrans-89.1125.6172.300000110.8
421G28.6Very low30.7Very low76 Ų76130.9 Ų130.978%0.78481%0.812SS**PPolyproline II helixtrans-83.7138.7170.100000111.6
422Q31.9Very low30.6Very low194 Ų194131.3 Ų131.391%0.90781%0.81SS**PPolyproline II helixtrans-90.3141.9166.1-70.2179.5-23.700110
423P37.6Very low30.3Very low128 Ų128132.8 Ų132.883%0.83181%0.808SS**PPolyproline II helixtrans-81152166.134.1-33.1000111.2
424A28.4Very low30.4Very low104 Ų104135.3 Ų135.386%0.8681%0.809SS**  trans-117.1150.4163.500000109.2
425S28.8Very low30.3Very low123 Ų123132.9 Ų132.986%0.8681%0.81SS**  trans-142.1147.2-17851.30000111.1
426M27.8Very low30.3Very low191 Ų191131 Ų13194%0.94182%0.816SS**  trans-91168.3-167.4-65.9168.664.100114.3
427E27.2Very low30.4Very low184 Ų184127 Ų12786%0.8682%0.818SS**  trans-73.9153.3-179.1-56.7156.198.300114.2
428S27Very low30.4Very low122 Ų122126.6 Ų126.685%0.85382%0.823SS**  trans-173.1160.7133.2-82.70000111.3
429P39.7Very low30.4Very low121 Ų121123.4 Ų123.479%0.78682%0.818SS**  trans-108178.8-150.341-37.7000118.5
430E28Very low30.6Very low180 Ų180123.5 Ų123.584%0.84181%0.814SS**  trans-31162.8161.6-86.3-173.9113.100118.3
431P40Very low30.9Very low104 Ų104129.1 Ų129.168%0.67581%0.812SS**  -155.7-170.450.345.7-24.5000119.9
432Q27.6Very low31Very low161 Ų161131.4 Ų131.475%0.75280%0.802SS**  trans72154.7158.8-75.8-173.5-76.300118.6
433E26.2Very low30.8Very low132 Ų132129.5 Ų129.562%0.61779%0.794SS**  cis-169.1157.3-23.6-166.3-174.9109.500108.8
434N30.7Very low30.5Very low145 Ų145129.5 Ų129.578%0.77579%0.791SS**  trans66.3152.8172.5-59.8-60.7000117.6
435G29.4Very low30.4Very low74 Ų74133.5 Ų133.576%0.76379%0.789SS**  cis162.9126.4-12.300000114.9
436G29.4Very low30.3Very low88 Ų88133.8 Ų133.891%0.90779%0.785SS**  trans87.5160.5162.300000118.2
437G31.2Very low30.2Very low86 Ų86133.9 Ų133.989%0.88778%0.78SS**  trans111.973171.300000115.6
438G30.2Very low30.2Very low84 Ų84131 Ų13187%0.86678%0.775SS**  trans-92.1172.7-17300000116.9
439G31.1Very low30.2Very low76 Ų76132.5 Ų132.578%0.78477%0.768SS**  trans102.1136.6172.200000114.4
440D33.5Very low30Very low146 Ų146131.8 Ų131.878%0.78176%0.764SS**  cis-162.4158.2-9.8-155.7-4.1000111.1
441R33.9Very low30.2Very low192 Ų192128.8 Ų128.873%0.72576%0.758SS**  trans64.5117.7163.2-55-177.576.5147.81.5118.2
442Q32.2Very low30Very low124 Ų124129.7 Ų129.758%0.57976%0.763SS**  99.6126.982.7-165.8159.229.200110.2
443E27.9Very low29.9Very low155 Ų155127 Ų12772%0.72476%0.763SS**  cis-164.1-174.79.7-145.3155.8-129.400113.1
444V30.4Very low30Very low127 Ų127128.1 Ų128.177%0.7777%0.771SS**  trans60.396.5168.8-163.60000117
445K25.8Very low29.8Very low189 Ų189127.8 Ų127.882%0.82278%0.775SS**  cis81.9139.844.4-157.7-168.6178178.10115.3
446V27.3Very low30Very low128 Ų128128.5 Ų128.578%0.77677%0.773SS**  trans83143.2168.4-167.40000115.8
447K24.9Very low30.1Very low194 Ų194130.2 Ų130.284%0.84377%0.771SS**  cis-173.9150-43179176.2171.1-171.90105.9
448V27.5Very low30.1Very low123 Ų123130.4 Ų130.475%0.74576%0.759SS**  trans-86154.7-176.7173.90000113.9
449E26.9Very low30.4Very low153 Ų153134.6 Ų134.672%0.71576%0.76SS**  trans72156.4165.6-90.7-113.3104.900118.5V451E449-V451 PolarHBondContact OE1-N 3.23Å
450P35.9Very low30.4Very low106 Ų106134.5 Ų134.569%0.68876%0.758SS**  cis-131176.19.441.7-25.2000118.6
451V32.9Very low30.5Very low118 Ų118130.8 Ų130.872%0.71576%0.755SS**  trans-58.8136.4168.3169.60000113.1E449E449-V451 PolarHBondContact OE1-N 3.23Å
452P35.8Very low30.4Very low122 Ų122129 Ų12979%0.79277%0.765SS**  -149.7-175.210940-21.5000116.5
453S24.9Very low30.5Very low106 Ų106126.3 Ų126.374%0.74177%0.771SS**  trans-100.4-167.2-161.3-46.60000116.1
454I28.9Very low31Very low154 Ų154129.8 Ų129.879%0.7978%0.777SS**  trans82.4144.4154.8-11.8176.3000120.3
455T26.5Very low31.2Very low139 Ų139130.9 Ų130.985%0.85378%0.777SS**  trans89.2149156.163.50000120.4
456A33.3Very low31.6Very low88 Ų88128.8 Ų128.873%0.72777%0.773SS**  trans-144175.1174.800000108.2
457S31.5Very low31.6Very low125 Ų125130.1 Ų130.187%0.87477%0.771SS**  trans78.6155-171.2-22.80000113.2
458S31.9Very low32.1Very low90 Ų90125.3 Ų125.363%0.62976%0.762SS**  cis-161156.37.768.10000113.1
459I35.8Very low32.5Very low172 Ų172123.8 Ų123.888%0.88276%0.757SS**  trans64.4146.7143.5-66.7161.1000117.1
460G31.8Very low32.9Very low73 Ų73125.9 Ų125.975%0.75377%0.766SS**  cis-173.7-173.7-200000108.9
461G34.6Very low32.5Very low68 Ų68125.3 Ų125.370%0.70177%0.771SS**  cis171-1711.800000111.4
462V32.6Very low32.3Very low155 Ų155124.1 Ų124.194%0.93977%0.773SS**  trans74.4149.2-173.7-172.10000112.6
463G33.4Very low32.5Very low68 Ų68123.6 Ų123.670%0.70177%0.77SS**  cis141.2150.6-100000109.5
464R37.8Very low32.6Very low228 Ų228125.6 Ų125.686%0.8677%0.771SS**  cis-137.6147.314.6-81.4178.1173.1157.2-2.2109.1
465I35Very low32.5Very low149 Ų149123.8 Ų123.876%0.76477%0.768SS**  62.5128.975.6-51.2169.3000111.9
466I33.7Very low32.5Very low146 Ų146123.4 Ų123.475%0.74977%0.766SS**  cis-122.5-174.826.3-6.8167.4000110.7
467Q28.6Very low32.4Very low156 Ų156124.6 Ų124.673%0.72976%0.763SS**  cis-154.2134.66.6-160.1154.4-3400107.9
468S34Very low32.2Very low92 Ų92125.2 Ų125.264%0.64376%0.762SS**  72.2136.173.5125.60000116.1
469S37.2Very low32.1Very low92 Ų92127.9 Ų127.964%0.64377%0.768SS**  cis-170.4150.23.5290000116.5
470Q34.1Very low31.7Very low196 Ų196125.4 Ų125.492%0.91676%0.761SS**  trans70.8155.6150.4-71.7178.912.200119.9
471A28.9Very low31.6Very low95 Ų95130.1 Ų130.179%0.78576%0.763SS**  cis-139.5177.46.700000114.1
472A28Very low31.3Very low93 Ų93134.4 Ų134.477%0.76977%0.765SS**  trans-118.8-153.6176.800000110
473P39.8Very low31Very low110 Ų110131.7 Ų131.771%0.71476%0.758SS**  cis-143.8-159.515.635.7-8.9000116.4
474L26.7Very low31.4Very low148 Ų148133.5 Ų133.578%0.77576%0.758SS**  trans84.2144.6164.5-50.7-174.8000118.8
475T27.2Very low31Very low116 Ų116130.9 Ų130.971%0.71276%0.76SS**  cis178.9128.9-47.6280000109.2
476T27Very low30.8Very low132 Ų132127.5 Ų127.581%0.8176%0.761SS**  trans-170.6109158.5-79.80000105.6
477V30Very low30.6Very low112 Ų112128.4 Ų128.468%0.67976%0.762SS**  69.2100.566.7-177.50000112.8I479V477-I479 HydrophobicContact CG1-CD1 4.04Å; V477-I479 HydrophobicContact CG1-CG1 4.03Å
478T28Very low30.8Very low138 Ų138130.4 Ų130.485%0.84777%0.771SS**  trans-113.7126167.9-55.40000108.3
479I29Very low30.8Very low146 Ų146132.1 Ų132.175%0.74977%0.769SS**  trans-122.6138.9177.4-65.1176.8000108.9V477V477-I479 HydrophobicContact CG1-CD1 4.04Å; V477-I479 HydrophobicContact CG1-CG1 4.03Å
480V28.6Very low31Very low121 Ų121134.9 Ų134.973%0.73378%0.776SS**  trans-100.5138.4175.2172.50000109.1
481Q29.8Very low31.2Very low171 Ų171131.6 Ų131.680%0.79977%0.772SS**  trans-142142162.1-174.253.553.600109.9
482Q28.8Very low31.3Very low159 Ų159133 Ų13374%0.74377%0.765SS**  trans-101.6136.2-176.8-62.9170.2-31.400111.4
483A25.8Very low31.5Very low97 Ų97137.8 Ų137.880%0.80277%0.768SS**  trans47.2176.1134.700000120.6
484P41.5Very low31Very low106 Ų106136.2 Ų136.269%0.68876%0.764SS**  cis-134.8-172.3-7.745.8-30.3000114.7
485L29.5Very low31.2Very low174 Ų174136.8 Ų136.891%0.91177%0.767SS**  trans61.4138.6154.9-67.8170.7000121
486G29.8Very low31.3Very low77 Ų77136.9 Ų136.979%0.79477%0.767SS**  trans154.577.5170.200000113.8
487Q29.9Very low31.5Very low165 Ų165138.6 Ų138.677%0.77177%0.766SS**  trans-78.6141.1176-64.8178-71.700111.6
488H32.7Very low31.5Very low198 Ų198140.7 Ų140.792%0.91777%0.773SS**  trans-133.1111.1139.9-99.3-76.9000110.7
489Q34.7Very low31.6Very low129 Ų129137.5 Ų137.560%0.60377%0.768SS**PPolyproline II helixtrans-84.9130.7-175.6176.769.557.200109.9I492Q489-I492 HydrophobicContact CG-CD1 4.48Å; Q489-I492 HydrophobicContact CG-CG1 4.47Å
490L41.6Very low31.7Very low150 Ų150137.1 Ų137.179%0.78577%0.773SS**PPolyproline II helixtrans-78.4147.6163.8-72.9173.2000110.2
491P37.6Very low31.7Very low126 Ų126139.1 Ų139.182%0.81877%0.774SS**PPolyproline II helixtrans-66.8157-159.1-24.136.2000116.2
492I31.9Very low31.6Very low125 Ų125137.7 Ų137.764%0.64177%0.771SS**  trans-121.2164.4-175.9-28.2175.5000110.4Q489Q489-I492 HydrophobicContact CG-CD1 4.48Å; Q489-I492 HydrophobicContact CG-CG1 4.47Å
493K32.2Very low31.7Very low194 Ų194135.6 Ų135.684%0.84377%0.768SS**  trans101.2145.9148.1-77.6174.2175.8178.90116.8
494A29.6Very low32.4Very low76 Ų76137 Ų13763%0.62877%0.769SS**  cis-156.7156.5-8.200000107.9
495I29.8Very low31.8Very low161 Ų161139.3 Ų139.383%0.82677%0.774SS**  43.211477.2-41.3174.5000110.8
496T30.3Very low31.8Very low117 Ų117135.9 Ų135.972%0.71877%0.765SS**  -150152.461.954.40000112.1
497Q30.7Very low31.8Very low169 Ų169138 Ų13879%0.7976%0.763SS**  84.2138.7100.1-171.8176.45.100119.2
498N30.6Very low31.7Very low156 Ų156135 Ų13583%0.83477%0.766SS**  trans-37.1150.4174.7-43.3-20000118.7
499G29.7Very low31.4Very low71 Ų71129.6 Ų129.673%0.73276%0.756SS**  trans129.9122.8136.300000118.1
500T30.4Very low31.2Very low138 Ų138128.5 Ų128.585%0.84776%0.762SS**  trans-6.7139.5148.945.50000117.4
501H29.5Very low30.6Very low163 Ų163127.1 Ų127.176%0.75577%0.765SS**  -178.5157.873.7-167.5-148.4000113.1
502L28Very low30.3Very low141 Ų141125 Ų12574%0.73876%0.758SS**  trans67.8145.3161.1-80.5170.4000123.5
503V30.7Very low30.4Very low115 Ų115126.5 Ų126.570%0.69777%0.768SS**  trans-90.4164.4164.9-148.70000109
504P39.9Very low30.7Very low126 Ų126123 Ų12382%0.81877%0.765SS**  -138.2161.3109.337-26.1000116
505I29.7Very low30.7Very low154 Ų154126.6 Ų126.679%0.7977%0.773SS**  trans-76.9144.2-173.1-61.9151.5000112.3
506S29.2Very low30.9Very low102 Ų102126.6 Ų126.671%0.71377%0.769SS**  trans156.4148.1140.2-74.10000111.4
507T28.5Very low31.2Very low123 Ų123129 Ų12976%0.75578%0.776SS**  cis-167.2146.6-15.724.60000107.7
508A28.1Very low31.5Very low102 Ų102127.8 Ų127.884%0.84377%0.774SS**  trans62.2165.6162.900000117.4
509A27.6Very low31.7Very low84 Ų84123.4 Ų123.469%0.69476%0.76SS**  cis-164.9165.4-36.100000110.6
510S29.2Very low31.9Very low106 Ų106125.7 Ų125.774%0.74176%0.76SS**  trans72.9143.5147.874.40000122.6
511S30Very low32.1Very low121 Ų121127.3 Ų127.385%0.84676%0.757SS**  trans79.3152.8150.677.80000119.6
512A30.6Very low32.1Very low82 Ų82123.8 Ų123.868%0.67876%0.757SS**  trans-142.8159.4-176.700000110.2
513N33.2Very low32.5Very low156 Ų156122.8 Ų122.883%0.83476%0.761SS**  trans68.8141.7178.8-51.7-29.5000114.9
514P39.2Very low32.5Very low121 Ų121121.6 Ų121.679%0.78676%0.764SS**  -138.4149.7102.533.9-20.2000115.9
515L29.9Very low32.1Very low151 Ų151120.7 Ų120.779%0.79176%0.76SS**  trans23.2129.8140.8-57.4169.2000120.1
516H34.2Very low32.3Very low160 Ų160117.6 Ų117.674%0.74176%0.758SS**  cis81.9123.743.7-171-120.4000113.7
517L35.9Very low32.3Very low168 Ų168118.4 Ų118.488%0.8876%0.763SS**  trans-147.8150175.2-122.7167.3000111.3
518L36.9Very low32.3Very low143 Ų143120.4 Ų120.475%0.74977%0.769SS**  trans-102175-167.5-133.872.6000110
519A36Very low33.5Very low65 Ų65120.6 Ų120.654%0.53776%0.761SS.*  cis-164.3167.28.900000113.6
520T32.7Very low33.7Very low119 Ų119123 Ų12373%0.7377%0.767SS**  trans63.8153.8147.349.10000120
521H35Very low33.8Very low171 Ų171126.3 Ų126.379%0.79277%0.769SS**  cis-138.2150.422.9-93-91.9000114.7
522A30.1Very low33.7Very low90 Ų90130.9 Ų130.974%0.74477%0.767SS**  trans41.9152.8142.600000122.7
523S34.9Very low33.8Very low119 Ų119134.9 Ų134.983%0.83277%0.772SS**  cis175.8156-17.5-87.30000106.3
524A31.9Very low33.7Very low90 Ų90133.9 Ų133.974%0.74477%0.767SS**  cis-148.6-162.2-11.200000105.8
525S30.4Very low33.3Very low107 Ų107131 Ų13175%0.74876%0.758SS**  cis-149.1164.114-75.60000108
526A34Very low33.4Very low89 Ų89131.6 Ų131.674%0.73676%0.757SS**  57.1123.564.300000114.1
527S29.6Very low33.3Very low119 Ų119129.8 Ų129.883%0.83275%0.752SS**  cis-150.8172.316.2-710000115.1
528L29.8Very low33.1Very low165 Ų165130.4 Ų130.486%0.86475%0.751SS**  trans-91.1-158.4177.6-52.4162.8000110.9
529P52.9Low32.8Very low106 Ų106130.7 Ų130.769%0.68875%0.753SS**  cis-139.3-175.3-13.639-19000116.1
530T31.9Very low33.3Very low134 Ų134133.2 Ų133.282%0.82276%0.764SS**  trans139.5156.4140.751.70000113.9
531K30.2Very low34.6Very low177 Ų177132.9 Ų132.977%0.7776%0.764SS**  cis-170.8157.8-32.9-177.3172.1176.5174.10109.4
532R29Very low34.3Very low217 Ų217133.3 Ų133.382%0.81977%0.766SS**  trans91.5128.8172.5-54.3-175.3-176.1-159.9-1.5114.3
533Q31.8Very low34.5Very low166 Ų166133 Ų13378%0.77676%0.758SS**  cis88.1124.838.6-175.5-175.91700111.4
534N30.5Very low34.4Very low135 Ų135136.6 Ų136.672%0.72276%0.759SS**  cis-141.7-176.63.1-133.647000108.9
535G31.8Very low34.4Very low59 Ų59144.3 Ų144.361%0.60877%0.769SS**  cis143.3149.4-6.600000113.4
536E31.8Very low34.7Very low164 Ų164143.7 Ų143.777%0.76677%0.77SS**  trans68.6152.7173-75176.393.900118.1
537L32.2Very low34.8Very low123 Ų123148.4 Ų148.464%0.64477%0.774SS**  cis-156.3139.18.2-126.2164.9000113.7
538Q31.6Very low35.3Very low180 Ų180148 Ų14884%0.84177%0.767SS**  trans57.3145.9149.5-89164.616.500128.5
539D30Very low35.6Very low149 Ų149145.6 Ų145.680%0.79776%0.755SS**  trans-85.6-169.5171.4-73.8-79000114.9
540P46.3Very low34.9Very low119 Ų119149.4 Ų149.477%0.77376%0.764SS**  cis-128.2-115.1-3127.7-1.9000114.7
541P60.9Low35.2Very low112 Ų112150.3 Ų150.373%0.72776%0.758SS**  trans-133.1-146.4-137.644-18.9000116
542E28.1Very low35.4Very low179 Ų179148.1 Ų148.184%0.83676%0.755SS**  trans87.3161.6175.8-60.8-153144.100118.4
543S34.8Very low35.6Very low83 Ų83140.6 Ų140.658%0.5875%0.745SS**  cis-162.7167.8-43.672.80000111.7
544K33.8Very low36.6Very low196 Ų196139.2 Ų139.285%0.85275%0.75SS**  trans33.6125.2156.4-63.8171-178.8168.20120.9
545R30.9Very low37Very low251 Ų251137.2 Ų137.295%0.94775%0.753SS**  -160.4150.7114.3-132.5174-179.91472.2114.1
546A36.9Very low37.1Very low94 Ų94141.3 Ų141.378%0.77777%0.766SS**  trans-129.6161.116400000108.8
547K36.4Very low37.4Very low188 Ų188137.3 Ų137.382%0.81776%0.761SS**  trans-153.2150.5165.8-168.9166.6-179.1-174.50111
548T39.4Very low37.6Very low111 Ų111139.5 Ų139.568%0.68177%0.772SS**  trans-122.6-161.4-173.545.80000111.3
549D37Very low37.6Very low115 Ų115134.3 Ų134.362%0.61577%0.767SS**  trans90.2109.5164.9-34.2-25.7000112.2
550E38.7Very low38Very low186 Ų186134.1 Ų134.187%0.86977%0.766SS**  76.6141.877.7-78.2-168.8151.900113.1
551E37.5Very low37.6Very low152 Ų152135.5 Ų135.571%0.7177%0.766SS**  cis-159.2-1763.8-151.4-143141.600111.2
552N33.7Very low36.4Very low132 Ų132137.4 Ų137.471%0.70677%0.77SS**  trans91.1149.2145.8-115.9-59.4000123.2
553G33.8Very low36.8Very low58 Ų58132 Ų13260%0.59876%0.763SS**  trans-106.2-156.4-178.600000113.7
554P53.6Low36.9Very low137 Ų137134.1 Ų134.189%0.8977%0.773SS**  -142.3-165.155.940.4-21.3000115.1
555A37Very low37.1Very low94 Ų94131.2 Ų131.278%0.77777%0.772SS**  trans-141.4153.8-175.400000114.7
556T33.8Very low37.4Very low145 Ų145125.7 Ų125.789%0.8976%0.761SS**  trans-176.2168.5166.324.40000108.3
557A38.3Very low37.5Very low79 Ų79126.2 Ų126.265%0.65376%0.759SS**  cis177.5157.3-37.600000107.7
558I37.3Very low37.4Very low170 Ų170121.1 Ų121.187%0.87276%0.76SS**  cis-162.2150.8-18.6-104.6164.2000105.4
559G32.3Very low37.3Very low71 Ų71119.4 Ų119.473%0.73276%0.763SS**  trans178.8101.8173.900000117.4
560N36.7Very low37.5Very low145 Ų145123.6 Ų123.678%0.77578%0.78SS**  trans-103.6153.9172-59.5-8.4000110.8
561N38.1Very low37.9Very low147 Ų147118.7 Ų118.779%0.78677%0.771SS**  172.5160.4106.9-90.1-29.1000116.1
562N36.8Very low38.4Very low152 Ų152119.2 Ų119.281%0.81378%0.779SS**  trans-53.5165.7173-43.6-33.1000114.1
563G35.7Very low39.2Very low66 Ų66118.9 Ų118.968%0.6878%0.777SS**  cis136.7177.6-1.700000113.5
564T37.2Very low39.9Very low128 Ų128127.6 Ų127.679%0.78580%0.798SS**  trans83.3153.6167.3-20.10000118.6
565T38.6Very low39.2Very low135 Ų135127.2 Ų127.283%0.82879%0.794SS**  trans67.1148.8169.257.30000118.2
566D35.9Very low39.3Very low135 Ų135128.9 Ų128.972%0.72280%0.795SS**  cis-167.2163.3-20.6175.248.1000109.6
567S38.9Very low39.6Very low105 Ų105128 Ų12873%0.73479%0.789SS**  trans49.7164.5156.3560000122.6
568G35.9Very low39.7Very low81 Ų81130.9 Ų130.984%0.83580%0.797SS**  trans122.3128.9175.200000113.2
569G37.4Very low39.8Very low74 Ų74128.4 Ų128.476%0.76379%0.793SS**  trans-147.9175.6179.200000114.1
570E41.4Very low40.3Very low204 Ų204132.3 Ų132.395%0.95380%0.797SS**  trans74.2167.1158.5-140.316212700119.3
571A46.1Very low40.6Very low83 Ų83131.4 Ų131.469%0.68680%0.798SS**  trans74.695.2170.300000120.6
572D48.7Very low40.8Very low163 Ų163130.2 Ų130.287%0.87280%0.799SS**  60158.8118.7-81.5-77.7000126
573D50.6Low41.1Very low125 Ų125128.3 Ų128.367%0.66880%0.798SS**  trans65.1121.9167.8-156.359.7000115.1
574K47Very low41.6Very low241 Ų241134 Ų134100%1.04881%0.809SS**  cis-164.5038.9-162.8169.9-139.365.90113.3

Retrieved 574 of 574 residues in 343.4 ms (Link to these results)