A0A060VHC2_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VHC2, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1S93.7Very high98Very high94 Ų9435.8 Ų35.866%0.65720%0.197SC*.  0155.60-59.20000107.6V102S1-V102 WeakPolarHBondContact CA-O 3.18Å; S1-V102 WeakPolarHBondContact CB-O 3.47Å
2H97.3Very high98Very high44 Ų4434.3 Ų34.320%0.20419%0.191CC..EExtended strand (participates in β ladder)trans-136.3160.2-178.4-65.4-77.2000110.7D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.26Å; H2-D28 IonicContact CE1-OD2 2.83Å; H2-D28 IonicContact CG-OD2 2.72Å; H2-D28 IonicContact ND1-OD1 3.01Å; H2-D28 IonicContact ND1-OD2 2.9Å; H2-D28 PolarHBondContact ND1-OD2 3.46Å; H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.3Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.16Å; H2-V102 PolarHBondContact O-N 2.84Å; H2-L167 HydrophobicContact CB-CD1 4.41Å; H2-L171 HydrophobicContact CB-CD1 3.67Å; H2-L171 HydrophobicContact CB-CD2 3.99Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.24Å
3S98.1Very high97.8Very high23 Ų2336.7 Ų36.716%0.16120%0.195CC..EExtended strand (participates in β ladder)trans-136.9150.4179.964.80000111.5V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.47Å; S3-V27 WeakPolarHBondContact O-CA 3.43Å; S3-D28 PolarHBondContact N-OD1 2.91Å; S3-D28 PolarHBondContact O-N 3.19Å; S3-D28 PolarHBondContact OG-OD1 3.18Å; S3-C100 WeakPolarHBondContact CA-O 3.42Å; S3-D101 WeakPolarHBondContact CB-OD1 3.24Å
4M98.6Very high97.3Very high0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans-123.7124.4166.7-174.7173.264.200108.4Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.04Å; M4-Y6 HydrophobicContact CG-CE2 4.1Å; M4-Y6 HydrophobicContact SD-CE2 4.01Å; M4-Y26 CarbonylContact C-O 3.55Å; M4-Y26 WeakPolarHBondContact CA-O 3.37Å; M4-V27 HydrophobicContact CG-CG2 4.3Å; M4-F32 HydrophobicContact CG-CE1 4.34Å; M4-F32 HydrophobicContact CG-CZ 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.23Å; M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.44Å; M4-C100 PolarHBondContact N-O 3.3Å; M4-C100 PolarHBondContact O-N 3.21Å; M4-C163 HydrophobicContact CE-CB 4.17Å; M4-C163 VanDerWaalsContact CE-O 3.28Å; M4-C163 WeakPolarHBondContact CE-O 3.48Å; M4-C163 WeakPolarHBondContact CE-SG 3.48Å; M4-W166 HydrophobicContact CE-CB 3.99Å; M4-W166 HydrophobicContact SD-CB 4.33Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4Å; M4-L167 HydrophobicContact CB-CD2 4.13Å; M4-L167 HydrophobicContact CB-CG 4.27Å; M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.56Å; M4-Y170 VanDerWaalsContact SD-CE2 3.56Å
5R98.6Very high96.8Very high48 Ų4841.1 Ų41.118%0.18125%0.253CS..EExtended strand (participates in β ladder)trans-131.7134.8-176.8-56.4-62.9178.177.15.9110.8F7 G25 Y26 Y98 D101R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.65Å; R5-F7 HydrophobicContact CB-CZ 4.02Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.35Å; R5-Y26 PolarHBondContact N-O 2.92Å; R5-Y26 PolarHBondContact O-N 3.47Å; R5-Y98 WeakPolarHBondContact CA-O 3.45Å; R5-D101 IonicContact CZ-OD1 3.09Å; R5-D101 IonicContact NE-OD1 3.72Å; R5-D101 PolarHBondContact NE-OD1 2.61Å; R5-D101 VanDerWaalsContact NH2-CG 3.27Å; R5-D101 IonicContact NH2-OD1 3.4Å; R5-D101 PolarHBondContact NH2-OD1 3.38Å; R5-D101 IonicContact NH2-OD2 2.94Å; R5-D101 PolarHBondContact NH2-OD2 2.92Å
6Y98.8Very high96.4Very high6 Ų652.1 Ų52.12%0.02429%0.288CS..EExtended strand (participates in β ladder)trans-111.5139169.9-69.4-90.1000109.5M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.04Å; M4-Y6 HydrophobicContact CG-CE2 4.1Å; M4-Y6 HydrophobicContact SD-CE2 4.01Å; Y6-F8 HydrophobicContact CD1-CE1 4.42Å; Y6-V24 CarbonylContact C-O 3.45Å; Y6-V24 WeakPolarHBondContact CA-O 3.32Å; Y6-F32 AromaticContact CE1-CZ 3.95Å; Y6-F32 HydrophobicContact CE1-CZ 3.95Å; Y6-F32 HydrophobicContact CE2-CZ 4.47Å; Y6-F32 AromaticContact CZ-CZ 3.7Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.44Å; Y6-V33 HydrophobicContact CE1-CG2 3.95Å; Y6-M97 WeakPolarHBondContact O-CA 3.01Å; Y6-Y98 AromaticContact CD2-CE2 3.74Å; Y6-Y98 HydrophobicContact CD2-CE2 3.74Å; Y6-Y98 AromaticContact CD2-CZ 3.86Å; Y6-Y98 HydrophobicContact CG-CE1 4.38Å; Y6-Y98 HydrophobicContact CG-CE2 4.19Å; Y6-Y98 AromaticContact CG-CZ 3.82Å; Y6-Y98 PolarHBondContact N-O 3.19Å; Y6-Y98 PolarHBondContact O-N 2.9Å; Y6-Y98 VanDerWaalsContact O-N 3.08Å
7F98.8Very high96.1Very high82 Ų8252.5 Ų52.536%0.3631%0.308SS..EExtended strand (participates in β ladder)trans-125.7123.1177.2-57.1-97.6000109.2R5 A23 V24 Y26 I96 M97R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.65Å; R5-F7 HydrophobicContact CB-CZ 4.02Å; F7-A23 WeakPolarHBondContact O-CA 3.35Å; F7-V24 HydrophobicContact CB-CG2 3.8Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 HydrophobicContact CG-CG2 4.48Å; F7-V24 PolarHBondContact N-O 3.34Å; F7-V24 PolarHBondContact O-N 3.36Å; F7-Y26 HydrophobicContact CD2-CD2 4.23Å; F7-Y26 HydrophobicContact CE2-CD2 4.27Å; F7-I96 CarbonylContact C-O 3.56Å; F7-I96 VanDerWaalsContact CA-O 3.3Å; F7-I96 WeakPolarHBondContact CA-O 3.01Å; F7-M97 HydrophobicContact CD1-CB 3.89Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.01Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CG-CG 4.48Å; F7-M97 HydrophobicContact CZ-CG 3.93Å
8F98.8Very high96Very high6 Ų654.9 Ų54.93%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-114.1138.1175.2-52.5-24.7000109.6Y6 F21 I22 A23 V66 Q69 Q95 I96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.42Å; F8-F21 HydrophobicContact CB-CE2 3.96Å; F8-F21 HydrophobicContact CB-CZ 3.95Å; F8-F21 HydrophobicContact CD1-CZ 4.2Å; F8-F21 HydrophobicContact CD2-CE2 4.47Å; F8-F21 HydrophobicContact CD2-CZ 4.11Å; F8-F21 HydrophobicContact CG-CE2 4.28Å; F8-F21 AromaticContact CG-CZ 3.84Å; F8-F21 HydrophobicContact CG-CZ 3.84Å; F8-I22 CarbonylContact C-O 3.5Å; F8-I22 WeakPolarHBondContact CA-O 3.5Å; F8-A23 HydrophobicContact CD1-CB 3.25Å; F8-A23 HydrophobicContact CE1-CB 3.45Å; F8-A23 VanDerWaalsContact CE1-CB 3.45Å; F8-A23 HydrophobicContact CG-CB 4.25Å; F8-V66 HydrophobicContact CZ-CG1 4.46Å; F8-Q69 HydrophobicContact CD2-CG 3.59Å; F8-Q69 HydrophobicContact CE2-CB 4.29Å; F8-Q69 HydrophobicContact CE2-CG 3.66Å; F8-Q95 CarbonylContact O-C 3.56Å; F8-Q95 VanDerWaalsContact O-CA 3.31Å; F8-Q95 WeakPolarHBondContact O-CA 3.4Å; F8-I96 HydrophobicContact CB-CB 4.25Å; F8-I96 PolarHBondContact N-O 3.09Å; F8-I96 PolarHBondContact O-N 2.87Å; F8-Y98 HydrophobicContact CD2-CE1 4.12Å; F8-Y98 HydrophobicContact CE1-CE1 4.2Å; F8-Y98 HydrophobicContact CE2-CD1 4.49Å; F8-Y98 AromaticContact CE2-CE1 3.45Å; F8-Y98 HydrophobicContact CE2-CE1 3.45Å; F8-Y98 VanDerWaalsContact CE2-CE1 3.45Å; F8-Y98 AromaticContact CZ-CE1 3.51Å; F8-Y98 HydrophobicContact CZ-CE1 3.51Å; F8-Y98 AromaticContact CZ-CZ 3.83Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.39Å
9T98.8Very high96Very high43 Ų4353.2 Ų53.226%0.26431%0.307SS..EExtended strand (participates in β ladder)trans-132.1123.6176.1-56.20000109.3V11 F21 I22 T93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 4.07Å; T9-F21 WeakPolarHBondContact O-CA 3.09Å; T9-I22 PolarHBondContact N-O 2.85Å; T9-I22 PolarHBondContact O-N 2.99Å; T9-T93 HydrophobicContact CG2-CG2 3.9Å; T9-I94 WeakPolarHBondContact CA-O 3.48Å; T9-Q95 HydrophobicContact CG2-CG 4.15Å
10S98.6Very high96.1Very high2 Ų255 Ų551%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-118.4121178.2-71.10000110.2R20 F21 D73 T93 I94S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.28Å; S10-F21 WeakPolarHBondContact OG-CD2 3.34Å; S10-D73 WeakPolarHBondContact CB-OD2 3.37Å; S10-D73 WeakPolarHBondContact OG-CB 3.49Å; S10-D73 PolarHBondContact OG-OD2 3.29Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 VanDerWaalsContact O-CA 3.26Å; S10-T93 WeakPolarHBondContact O-CA 3.37Å; S10-I94 PolarHBondContact N-O 3.41Å; S10-I94 PolarHBondContact O-N 2.87Å
11V98.4Very high96.2Very high46 Ų4652.4 Ų52.428%0.27929%0.294SS..EExtended strand (participates in β ladder)trans-118.3115.9-177.8-172.70000109.3T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.07Å; V11-P19 CarbonylContact O-C 3.52Å; V11-P19 WeakPolarHBondContact O-CA 3.31Å; V11-P19 WeakPolarHBondContact O-CB 3.26Å; V11-R20 PolarHBondContact N-O 3.3Å; V11-R20 PolarHBondContact O-N 3.02Å; V11-H92 WeakPolarHBondContact CA-O 3.34Å; V11-T93 HydrophobicContact CG2-CG2 4.15Å
12S97.4Very high96.5Very high17 Ų1749.8 Ų49.812%0.11927%0.272CS..  trans-66.8148.6173.874.80000110.8S91 H92S12-S91 PolarHBondContact O-OG 3.26Å; S12-S91 VanDerWaalsContact O-OG 3.07Å; S12-H92 PolarHBondContact N-O 2.71Å; S12-H92 PolarHBondContact OG-N 3.03Å; S12-H92 PolarHBondContact OG-O 2.69Å
13R95.6Very high96.5Very high66 Ų6647.8 Ų47.825%0.24926%0.263CS..  trans-134.870.6-175.3-64.4-174.6-76.4-163.7-8.9110.9G15 R16 E18 R20 D38R13-G15 PolarHBondContact O-N 2.78Å; R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 PolarHBondContact O-N 2.72Å; R13-E18 PolarHBondContact NE-O 3.43Å; R13-E18 PolarHBondContact NH2-O 3.05Å; R13-R20 VanDerWaalsContact CZ-CB 3.48Å; R13-R20 VanDerWaalsContact NH2-CA 3.34Å; R13-D38 IonicContact CZ-OD1 3.68Å; R13-D38 IonicContact CZ-OD2 2.83Å; R13-D38 IonicContact NH1-OD1 2.79Å; R13-D38 PolarHBondContact NH1-OD1 2.83Å; R13-D38 IonicContact NH1-OD2 3.62Å; R13-D38 PolarHBondContact NH1-OD2 3.27Å; R13-D38 IonicContact NH2-OD1 3.76Å; R13-D38 PolarHBondContact NH2-OD1 3.12Å; R13-D38 IonicContact NH2-OD2 2.78Å
14P90.9Very high96.6Very high48 Ų4847.8 Ų47.831%0.31226%0.262SS..THydrogen-bonded Turntrans-50.3127.6-177.8-25.533.7000111.9R16 E88 G90P14-R16 PolarHBondContact O-N 2.64Å; P14-E88 WeakPolarHBondContact CB-O 3.3Å; P14-E88 WeakPolarHBondContact CG-O 3.18Å; P14-G90 WeakPolarHBondContact CG-O 3.46Å
15G89Confident96.6Very high92 Ų9247.8 Ų47.895%0.94826%0.262SS*.THydrogen-bonded Turntrans69.84.3-178.600000116.2R13R13-G15 PolarHBondContact O-N 2.78Å
16R91.7Very high96.6Very high216 Ų21648.9 Ų48.982%0.81527%0.266SS*.SBendtrans-126.221.7-177.6-59.1-177.4-176-1771.6113.6R13 P14R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 PolarHBondContact O-N 2.72Å; P14-R16 PolarHBondContact O-N 2.64Å
17G90.9Very high96.5Very high60 Ų6048.6 Ų48.662%0.61927%0.265SS*.SBendtrans98.5-157.9176.600000113.7
18E93.5Very high96.4Very high95 Ų9546.2 Ų46.244%0.44426%0.256SS..SBendtrans-68.9154.1-177.6-65.4-62.5167.100112.3R13 R20 R74R13-E18 PolarHBondContact NE-O 3.43Å; R13-E18 PolarHBondContact NH2-O 3.05Å; E18-R20 PolarHBondContact O-N 2.92Å; E18-R74 VanDerWaalsContact CD-NH2 3.28Å; E18-R74 IonicContact OE1-CZ 3.53Å; E18-R74 IonicContact OE1-NH1 3.3Å; E18-R74 PolarHBondContact OE1-NH1 3.03Å; E18-R74 IonicContact OE1-NH2 3.56Å; E18-R74 PolarHBondContact OE1-NH2 3.44Å; E18-R74 WeakPolarHBondContact OE2-CD 3.03Å; E18-R74 IonicContact OE2-CZ 2.69Å; E18-R74 IonicContact OE2-NE 3.33Å; E18-R74 PolarHBondContact OE2-NE 2.97Å; E18-R74 VanDerWaalsContact OE2-NE 3.09Å; E18-R74 IonicContact OE2-NH1 3.46Å; E18-R74 PolarHBondContact OE2-NH1 3.29Å; E18-R74 VanDerWaalsContact OE2-NH1 3.08Å; E18-R74 IonicContact OE2-NH2 3.95Å; E18-R74 PolarHBondContact OE2-NH2 3.08Å; E18-R74 VanDerWaalsContact OE2-NH2 3.12Å
19P96.4Very high96.3Very high23 Ų2349 Ų4915%0.14927%0.271CS..PPolyproline II helixtrans-52.3140.5171.2-25.835.3000112.1V11 R74 L77V11-P19 CarbonylContact O-C 3.52Å; V11-P19 WeakPolarHBondContact O-CA 3.31Å; V11-P19 WeakPolarHBondContact O-CB 3.26Å; P19-R74 HydrophobicContact CG-CB 4.43Å; P19-R74 HydrophobicContact CG-CG 4.21Å; P19-L77 HydrophobicContact CB-CD1 3.58Å; P19-L77 HydrophobicContact CG-CD1 3.67Å
20R98Very high96.1Very high89 Ų8948 Ų4834%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-79.1128.2171.8-168.1174.8177.6-177.9-2.1108.4S10 V11 R13 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.28Å; V11-R20 PolarHBondContact N-O 3.3Å; V11-R20 PolarHBondContact O-N 3.02Å; R13-R20 VanDerWaalsContact CZ-CB 3.48Å; R13-R20 VanDerWaalsContact NH2-CA 3.34Å; E18-R20 PolarHBondContact O-N 2.92Å; R20-I22 HydrophobicContact CG-CG1 4.31Å; R20-D36 IonicContact CZ-OD1 3.89Å; R20-D36 IonicContact CZ-OD2 3.53Å; R20-D36 IonicContact NE-OD1 3.93Å; R20-D36 PolarHBondContact NE-OD1 3.28Å; R20-D36 VanDerWaalsContact NE-OD1 3.09Å; R20-D36 IonicContact NE-OD2 3.05Å; R20-D36 IonicContact NH2-OD1 2.71Å; R20-D36 PolarHBondContact NH2-OD1 2.86Å; R20-D36 IonicContact NH2-OD2 3.4Å; R20-D36 PolarHBondContact NH2-OD2 2.98Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 IonicContact NE-OD2 3.85Å; R20-D38 PolarHBondContact NE-OD2 3.43Å
21F98.6Very high96.1Very high1 Ų150.3 Ų50.30%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-113.6124.9174.7179-86.7000109.6F8 T9 S10 A23 F35 S37 V66 Q69 S70 D73F8-F21 HydrophobicContact CB-CE2 3.96Å; F8-F21 HydrophobicContact CB-CZ 3.95Å; F8-F21 HydrophobicContact CD1-CZ 4.2Å; F8-F21 HydrophobicContact CD2-CE2 4.47Å; F8-F21 HydrophobicContact CD2-CZ 4.11Å; F8-F21 HydrophobicContact CG-CE2 4.28Å; F8-F21 AromaticContact CG-CZ 3.84Å; F8-F21 HydrophobicContact CG-CZ 3.84Å; T9-F21 WeakPolarHBondContact O-CA 3.09Å; S10-F21 WeakPolarHBondContact OG-CD2 3.34Å; F21-A23 HydrophobicContact CE1-CB 3.62Å; F21-A23 HydrophobicContact CZ-CB 4.03Å; F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CE1-CD1 4Å; F21-F35 HydrophobicContact CE1-CE1 4.37Å; F21-S37 PolarHBondContact N-OG 2.88Å; F21-S37 PolarHBondContact O-N 3.08Å; F21-S37 PolarHBondContact O-OG 2.92Å; F21-V66 HydrophobicContact CE1-CB 4.14Å; F21-Q69 HydrophobicContact CE2-CB 4.43Å; F21-Q69 HydrophobicContact CE2-CG 4Å; F21-Q69 HydrophobicContact CZ-CB 4.22Å; F21-Q69 HydrophobicContact CZ-CG 4.08Å; F21-S70 WeakPolarHBondContact CB-OG 3.35Å; F21-D73 HydrophobicContact CD2-CB 4.47Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.38Å
22I98.8Very high96Very high39 Ų3948.1 Ų48.120%0.226%0.263CS..EExtended strand (participates in β ladder)trans-122.1130.9174.1-58.8174.2000107.7F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.5Å; F8-I22 WeakPolarHBondContact CA-O 3.5Å; T9-I22 PolarHBondContact N-O 2.85Å; T9-I22 PolarHBondContact O-N 2.99Å; R20-I22 HydrophobicContact CG-CG1 4.31Å; I22-V24 HydrophobicContact CG2-CG1 4.37Å; I22-F35 WeakPolarHBondContact CA-O 3.41Å
23A98.8Very high96.1Very high2 Ų247.3 Ų47.32%0.01726%0.257CS..EExtended strand (participates in β ladder)trans-123138.8171.300000110.4F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.35Å; F8-A23 HydrophobicContact CD1-CB 3.25Å; F8-A23 HydrophobicContact CE1-CB 3.45Å; F8-A23 VanDerWaalsContact CE1-CB 3.45Å; F8-A23 HydrophobicContact CG-CB 4.25Å; F21-A23 HydrophobicContact CE1-CB 3.62Å; F21-A23 HydrophobicContact CZ-CB 4.03Å; A23-R34 CarbonylContact O-C 3.53Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.25Å; A23-F35 HydrophobicContact CB-CB 4.22Å; A23-F35 PolarHBondContact N-O 3.48Å; A23-F35 PolarHBondContact O-N 3.35Å; A23-V66 HydrophobicContact CB-CG1 4.18Å
24V98.8Very high96.2Very high23 Ų2347.4 Ų47.414%0.13926%0.258CS..EExtended strand (participates in β ladder)trans-135.1144.1174.3-62.30000110Y6 F7 I22 Y26 V33 R34Y6-V24 CarbonylContact C-O 3.45Å; Y6-V24 WeakPolarHBondContact CA-O 3.32Å; F7-V24 HydrophobicContact CB-CG2 3.8Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 HydrophobicContact CG-CG2 4.48Å; F7-V24 PolarHBondContact N-O 3.34Å; F7-V24 PolarHBondContact O-N 3.36Å; I22-V24 HydrophobicContact CG2-CG1 4.37Å; V24-Y26 HydrophobicContact CB-CE2 4.05Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; V24-V33 WeakPolarHBondContact CA-O 3.5Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.18Å
25G98.6Very high96.6Very high0 Ų045.4 Ų45.40%024%0.244CC..EExtended strand (participates in β ladder)trans-121.7138.1175.600000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.35Å; G25-Q31 WeakPolarHBondContact O-CA 3.3Å; G25-F32 WeakPolarHBondContact O-CD1 3.34Å; G25-F32 PolarHBondContact O-N 3.35Å; G25-V33 PolarHBondContact N-O 3.16Å; G25-V33 PolarHBondContact O-N 3.4Å
26Y98.6Very high97.1Very high70 Ų7042 Ų4228%0.27520%0.204SC..EExtended strand (participates in β ladder)trans-125.1141178.2-75.1-102.3000110.5M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.55Å; M4-Y26 WeakPolarHBondContact CA-O 3.37Å; R5-Y26 PolarHBondContact N-O 2.92Å; R5-Y26 PolarHBondContact O-N 3.47Å; F7-Y26 HydrophobicContact CD2-CD2 4.23Å; F7-Y26 HydrophobicContact CE2-CD2 4.27Å; V24-Y26 HydrophobicContact CB-CE2 4.05Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; Y26-T30 WeakPolarHBondContact CA-O 3.35Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 3.99Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.5Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.5Å; Y26-Q31 HydrophobicContact CE1-CG 4.21Å; Y26-Q31 HydrophobicContact CE2-CB 4.12Å; Y26-Q31 HydrophobicContact CE2-CG 3.89Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27V98.4Very high97.4Very high0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-108.6118.8157.3176.70000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.47Å; S3-V27 WeakPolarHBondContact O-CA 3.43Å; M4-V27 HydrophobicContact CG-CG2 4.3Å; V27-D29 PolarHBondContact O-N 3.49Å; V27-T30 PolarHBondContact N-O 2.96Å; V27-T30 WeakPolarHBondContact O-CB 3.25Å; V27-T30 PolarHBondContact O-N 3.34Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4.02Å; V27-W50 HydrophobicContact CB-CH2 4.45Å; V27-W50 HydrophobicContact CG2-CH2 3.96Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V27-Y170 HydrophobicContact CG2-CD2 4.02Å; V27-L171 HydrophobicContact CG1-CD2 4.07Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.14Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å
28D96.4Very high97.6Very high32 Ų3233.5 Ų33.517%0.17116%0.162CC..THydrogen-bonded Turntrans48.2-123-166-54.3-42.6000110.7H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.26Å; H2-D28 IonicContact CE1-OD2 2.83Å; H2-D28 IonicContact CG-OD2 2.72Å; H2-D28 IonicContact ND1-OD1 3.01Å; H2-D28 IonicContact ND1-OD2 2.9Å; H2-D28 PolarHBondContact ND1-OD2 3.46Å; S3-D28 PolarHBondContact N-OD1 2.91Å; S3-D28 PolarHBondContact O-N 3.19Å; S3-D28 PolarHBondContact OG-OD1 3.18Å
29D95.2Very high97.8Very high65 Ų6530.5 Ų30.535%0.34815%0.153SC..THydrogen-bonded Turntrans-92.58-180-53-56.9000113.6V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.49Å; D29-Y208 HydrophobicContact CB-CE2 4.35Å; D29-P209 WeakPolarHBondContact OD2-CB 3.27Å; D29-A210 HydrophobicContact CB-CB 4.15Å; D29-A210 VanDerWaalsContact CG-CB 3.47Å; D29-A210 WeakPolarHBondContact OD2-CB 3.26Å; D29-A210 PolarHBondContact OD2-N 2.87Å; D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.56Å
30T96.2Very high97.8Very high23 Ų2335 Ų3514%0.14119%0.192CC..EExtended strand (participates in β ladder)trans-107114.7-174.5-590000111.6Y26 V27 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.35Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 2.96Å; V27-T30 WeakPolarHBondContact O-CB 3.25Å; V27-T30 PolarHBondContact O-N 3.34Å; T30-F32 PolarHBondContact O-N 3.45Å; T30-L178 HydrophobicContact CG2-CD2 4.09Å; T30-Y208 PolarHBondContact OG1-OH 2.98Å
31Q97.3Very high97.6Very high50 Ų5033.2 Ų33.223%0.23419%0.194CC..EExtended strand (participates in β ladder)trans-67.9129.9173.8-166.2178.9600110.4G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.3Å; Y26-Q31 HydrophobicContact CD1-CB 3.99Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.5Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.5Å; Y26-Q31 HydrophobicContact CE1-CG 4.21Å; Y26-Q31 HydrophobicContact CE2-CB 4.12Å; Y26-Q31 HydrophobicContact CE2-CG 3.89Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 2.67Å; Q31-R47 HydrophobicContact CB-CB 4.49Å; Q31-R47 HydrophobicContact CG-CB 4.11Å; Q31-R47 HydrophobicContact CG-CG 4.34Å
32F98.1Very high97.4Very high0 Ų037.5 Ų37.50%021%0.214CC..EExtended strand (participates in β ladder)trans-119.7-23-18074.8-82.5000114.3M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.34Å; M4-F32 HydrophobicContact CG-CZ 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.23Å; Y6-F32 AromaticContact CE1-CZ 3.95Å; Y6-F32 HydrophobicContact CE1-CZ 3.95Å; Y6-F32 HydrophobicContact CE2-CZ 4.47Å; Y6-F32 AromaticContact CZ-CZ 3.7Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.44Å; G25-F32 WeakPolarHBondContact O-CD1 3.34Å; G25-F32 PolarHBondContact O-N 3.35Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4.02Å; T30-F32 PolarHBondContact O-N 3.45Å; F32-R47 PolarHBondContact O-N 2.86Å; F32-A48 HydrophobicContact CB-CB 4.21Å; F32-W50 HydrophobicContact CB-CH2 3.12Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 HydrophobicContact CD1-CH2 4.14Å; F32-W50 AromaticContact CD2-CH2 3.87Å; F32-W50 HydrophobicContact CD2-CH2 3.87Å; F32-W50 HydrophobicContact CD2-CZ3 4.14Å; F32-W50 AromaticContact CG-CH2 3.49Å; F32-W50 HydrophobicContact CG-CH2 3.49Å; F32-W50 VanDerWaalsContact CG-CH2 3.49Å; F32-W50 HydrophobicContact CG-CZ2 4.18Å; F32-W50 HydrophobicContact CG-CZ3 4.22Å; F32-I51 HydrophobicContact CD2-CB 4.46Å; F32-I51 HydrophobicContact CD2-CD1 3.95Å; F32-I51 HydrophobicContact CD2-CG1 4Å; F32-I51 HydrophobicContact CE2-CD1 4.33Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.5Å; F32-Y170 HydrophobicContact CD2-CE2 4.46Å; F32-Y170 HydrophobicContact CE2-CD2 4.19Å; F32-Y170 AromaticContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å
33V98.4Very high97.4Very high0 Ų043 Ų430%023%0.232CC..EExtended strand (participates in β ladder)trans-140.6153.6176.6-71.90000112.8Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.95Å; V24-V33 WeakPolarHBondContact CA-O 3.5Å; G25-V33 PolarHBondContact N-O 3.16Å; G25-V33 PolarHBondContact O-N 3.4Å; Q31-V33 PolarHBondContact NE2-O 2.67Å; V33-M44 HydrophobicContact CB-CG 4.1Å; V33-M44 HydrophobicContact CB-SD 3.67Å; V33-M44 HydrophobicContact CG1-CG 4.15Å; V33-M44 HydrophobicContact CG1-SD 4.37Å; V33-M44 HydrophobicContact CG2-CE 4.42Å; V33-M44 HydrophobicContact CG2-SD 4.11Å; V33-E45 WeakPolarHBondContact CA-O 3.47Å; V33-I51 HydrophobicContact CG1-CG1 4.34Å; V33-W59 HydrophobicContact CG1-CH2 4.12Å; V33-W59 HydrophobicContact CG1-CZ3 3.9Å
34R98.6Very high97.3Very high68 Ų6843.3 Ų43.326%0.25723%0.233SC..EExtended strand (participates in β ladder)trans-145.9142.7172.9-179.617417391.76.3111.4A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.53Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.25Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.18Å; R34-D36 IonicContact NH2-OD2 3.25Å; R34-D36 PolarHBondContact NH2-OD2 2.93Å; R34-M44 VanDerWaalsContact C-SD 3.52Å; R34-E45 PolarHBondContact N-O 2.99Å; R34-E45 PolarHBondContact O-N 3.31Å; R34-R47 HydrophobicContact CB-CG 3.86Å
35F98.8Very high97.3Very high5 Ų545 Ų452%0.02224%0.239CC..EExtended strand (participates in β ladder)trans-128.9144.4165.3175.9-82.3000109.7F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CE1-CD1 4Å; F21-F35 HydrophobicContact CE1-CE1 4.37Å; I22-F35 WeakPolarHBondContact CA-O 3.41Å; A23-F35 HydrophobicContact CB-CB 4.22Å; A23-F35 PolarHBondContact N-O 3.48Å; A23-F35 PolarHBondContact O-N 3.35Å; F35-Q42 VanDerWaalsContact CE2-C 3.47Å; F35-Q42 WeakPolarHBondContact CE2-O 3.39Å; F35-R43 WeakPolarHBondContact CD2-O 3.35Å; F35-M44 HydrophobicContact CB-CE 4.4Å; F35-M44 HydrophobicContact CB-SD 3.99Å; F35-V66 HydrophobicContact CB-CG2 4.06Å; F35-V66 HydrophobicContact CD1-CG2 4.23Å; F35-V66 HydrophobicContact CD2-CG2 3.43Å; F35-V66 VanDerWaalsContact CD2-CG2 3.43Å; F35-V66 HydrophobicContact CE2-CG2 3.85Å; F35-V66 HydrophobicContact CG-CB 4.36Å; F35-V66 HydrophobicContact CG-CG2 3.65Å; F35-V66 HydrophobicContact CZ-CG2 4.43Å; F35-K67 HydrophobicContact CE2-CG 4.2Å; F35-K67 HydrophobicContact CZ-CG 4.11Å
36D98.4Very high97.3Very high22 Ų2247.1 Ų47.112%0.11825%0.253CS..EExtended strand (participates in β ladder)trans-139.1122174.1-162.1-34000109R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.89Å; R20-D36 IonicContact CZ-OD2 3.53Å; R20-D36 IonicContact NE-OD1 3.93Å; R20-D36 PolarHBondContact NE-OD1 3.28Å; R20-D36 VanDerWaalsContact NE-OD1 3.09Å; R20-D36 IonicContact NE-OD2 3.05Å; R20-D36 IonicContact NH2-OD1 2.71Å; R20-D36 PolarHBondContact NH2-OD1 2.86Å; R20-D36 IonicContact NH2-OD2 3.4Å; R20-D36 PolarHBondContact NH2-OD2 2.98Å; R34-D36 IonicContact NH2-OD2 3.25Å; R34-D36 PolarHBondContact NH2-OD2 2.93Å; D36-D38 PolarHBondContact O-N 2.92Å; D36-D38 PolarHBondContact OD1-N 3.35Å; D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 WeakPolarHBondContact O-CB 3.24Å; D36-A39 PolarHBondContact O-N 3.45Å; D36-A39 VanDerWaalsContact O-N 3.1Å
37S97.8Very high97.2Very high17 Ų1748.7 Ų48.712%0.11926%0.258CS..THydrogen-bonded Turntrans-63.3-24.1-178.763.70000113.2F21 Q42F21-S37 PolarHBondContact N-OG 2.88Å; F21-S37 PolarHBondContact O-N 3.08Å; F21-S37 PolarHBondContact O-OG 2.92Å; S37-Q42 PolarHBondContact O-NE2 3.34Å
38D97Very high97.1Very high80 Ų8048.9 Ų48.943%0.42826%0.26SS..THydrogen-bonded Turntrans-87.2-9179.7-68.90.7000112.4R13 R20 D36R13-D38 IonicContact CZ-OD1 3.68Å; R13-D38 IonicContact CZ-OD2 2.83Å; R13-D38 IonicContact NH1-OD1 2.79Å; R13-D38 PolarHBondContact NH1-OD1 2.83Å; R13-D38 IonicContact NH1-OD2 3.62Å; R13-D38 PolarHBondContact NH1-OD2 3.27Å; R13-D38 IonicContact NH2-OD1 3.76Å; R13-D38 PolarHBondContact NH2-OD1 3.12Å; R13-D38 IonicContact NH2-OD2 2.78Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 IonicContact NE-OD2 3.85Å; R20-D38 PolarHBondContact NE-OD2 3.43Å; D36-D38 PolarHBondContact O-N 2.92Å; D36-D38 PolarHBondContact OD1-N 3.35Å
39A96.8Very high97.1Very high32 Ų3252.4 Ų52.426%0.26429%0.285SS..SBendtrans-70.2144.2175.800000111D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 WeakPolarHBondContact O-CB 3.24Å; D36-A39 PolarHBondContact O-N 3.45Å; D36-A39 VanDerWaalsContact O-N 3.1Å; A39-S41 VanDerWaalsContact C-N 3.26Å; A39-S41 PolarHBondContact O-N 2.88Å; A39-Q42 WeakPolarHBondContact O-CG 3.37Å; A39-Q42 PolarHBondContact O-N 3.43Å
40A96Very high97.1Very high116 Ų11649.9 Ų49.996%0.95927%0.271SS*.THydrogen-bonded Turntrans-62.3-32.3-179.600000113.4
41S93.4Very high97.2Very high53 Ų5348.8 Ų48.837%0.37126%0.264SS..THydrogen-bonded Turntrans-70.3-34.4178.560.80000112.1A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.26Å; A39-S41 PolarHBondContact O-N 2.88Å; S41-R43 WeakPolarHBondContact O-CG 3.42Å; S41-R43 PolarHBondContact O-N 2.85Å; S41-E45 PolarHBondContact OG-OE1 2.89Å
42Q95.5Very high97.1Very high91 Ų9152.4 Ų52.443%0.42528%0.28SS..  trans38.949.3-168-59.4-171.9-24.600111.9F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.47Å; F35-Q42 WeakPolarHBondContact CE2-O 3.39Å; S37-Q42 PolarHBondContact O-NE2 3.34Å; A39-Q42 WeakPolarHBondContact O-CG 3.37Å; A39-Q42 PolarHBondContact O-N 3.43Å; Q42-K67 WeakPolarHBondContact O-CE 3.32Å; Q42-K67 PolarHBondContact O-NZ 3.28Å
43R97.8Very high97Very high153 Ų15358.2 Ų58.258%0.57731%0.308SS*.SBendtrans-126.8156.4179.5-81.1177174.7177.4-2.3110.2F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.35Å; S41-R43 WeakPolarHBondContact O-CG 3.42Å; S41-R43 PolarHBondContact O-N 2.85Å; R43-E45 PolarHBondContact O-N 2.88Å; R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.11Å
44M98.3Very high96.9Very high9 Ų958.8 Ų58.84%0.04431%0.31CS..  trans-67.9128.3167.4-173.464.386.300108.2V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.1Å; V33-M44 HydrophobicContact CB-SD 3.67Å; V33-M44 HydrophobicContact CG1-CG 4.15Å; V33-M44 HydrophobicContact CG1-SD 4.37Å; V33-M44 HydrophobicContact CG2-CE 4.42Å; V33-M44 HydrophobicContact CG2-SD 4.11Å; R34-M44 VanDerWaalsContact C-SD 3.52Å; F35-M44 HydrophobicContact CB-CE 4.4Å; F35-M44 HydrophobicContact CB-SD 3.99Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.15Å; M44-W59 HydrophobicContact CG-CZ3 3.98Å; M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CE-CB 4.43Å; M44-E62 HydrophobicContact CG-CB 4.11Å; M44-T63 PolarHBondContact N-OG1 3.41Å; M44-V66 HydrophobicContact CE-CB 4.4Å; M44-V66 HydrophobicContact CE-CG1 3.36Å; M44-V66 HydrophobicContact CE-CG2 4.22Å
45E98.1Very high96.8Very high59 Ų5957.3 Ų57.328%0.27632%0.316SS..EExtended strand (participates in β ladder)trans-117.4141.5-175.6-62.3177.517300111V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.47Å; R34-E45 PolarHBondContact N-O 2.99Å; R34-E45 PolarHBondContact O-N 3.31Å; S41-E45 PolarHBondContact OG-OE1 2.89Å; R43-E45 PolarHBondContact O-N 2.88Å; E45-R47 IonicContact OE2-CZ 3.54Å; E45-R47 IonicContact OE2-NH1 3.64Å; E45-R47 PolarHBondContact OE2-NH1 3.35Å; E45-R47 VanDerWaalsContact OE2-NH1 3.13Å; E45-R47 IonicContact OE2-NH2 3.51Å; E45-R47 PolarHBondContact OE2-NH2 2.9Å
46P98.1Very high96.7Very high44 Ų4461.7 Ų61.729%0.28635%0.345SS..EExtended strand (participates in β ladder)trans-67.1147.6174.728.5-34.3000111.2I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.65Å; P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.44Å
47R97.2Very high96.7Very high103 Ų10368.4 Ų68.439%0.38938%0.376SS..  trans-129.50.8173.3-64.9-63.6-179-95.32.2113.4Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.49Å; Q31-R47 HydrophobicContact CG-CB 4.11Å; Q31-R47 HydrophobicContact CG-CG 4.34Å; F32-R47 PolarHBondContact O-N 2.86Å; R34-R47 HydrophobicContact CB-CG 3.86Å; E45-R47 IonicContact OE2-CZ 3.54Å; E45-R47 IonicContact OE2-NH1 3.64Å; E45-R47 PolarHBondContact OE2-NH1 3.35Å; E45-R47 VanDerWaalsContact OE2-NH1 3.13Å; E45-R47 IonicContact OE2-NH2 3.51Å; E45-R47 PolarHBondContact OE2-NH2 2.9Å
48A95.9Very high96.7Very high5 Ų568.4 Ų68.44%0.04137%0.374CS..SBendtrans-138.5144173.200000110.9F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.21Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.15Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.96Å; A48-W50 PolarHBondContact O-N 3.41Å; A48-I51 WeakPolarHBondContact O-CG2 3.41Å; A48-I51 PolarHBondContact O-N 2.86Å
49P96Very high96.7Very high105 Ų10566.6 Ų66.668%0.68236%0.361SS*.G310 helixtrans-58.8-37.6-177.3-26.534.9000113.7I51 E52P49-I51 PolarHBondContact O-N 3.17Å; P49-E52 WeakPolarHBondContact O-CB 3.27Å; P49-E52 PolarHBondContact O-N 3.07Å; P49-E52 VanDerWaalsContact O-N 3.12Å
50W95.9Very high96.8Very high13 Ų1369.1 Ų69.15%0.04937%0.37CS..G310 helixtrans-69.9-14.1-176.554.1-105.1000114.4V27 F32 A48 Q53 Y170 G174 L178V27-W50 HydrophobicContact CB-CH2 4.45Å; V27-W50 HydrophobicContact CG2-CH2 3.96Å; F32-W50 HydrophobicContact CB-CH2 3.12Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 HydrophobicContact CD1-CH2 4.14Å; F32-W50 AromaticContact CD2-CH2 3.87Å; F32-W50 HydrophobicContact CD2-CH2 3.87Å; F32-W50 HydrophobicContact CD2-CZ3 4.14Å; F32-W50 AromaticContact CG-CH2 3.49Å; F32-W50 HydrophobicContact CG-CH2 3.49Å; F32-W50 VanDerWaalsContact CG-CH2 3.49Å; F32-W50 HydrophobicContact CG-CZ2 4.18Å; F32-W50 HydrophobicContact CG-CZ3 4.22Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.15Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.96Å; A48-W50 PolarHBondContact O-N 3.41Å; W50-Q53 WeakPolarHBondContact O-CG 3.3Å; W50-Y170 HydrophobicContact CH2-CG 4.31Å; W50-Y170 AromaticContact CZ3-CD1 3.9Å; W50-Y170 HydrophobicContact CZ3-CD1 3.9Å; W50-Y170 HydrophobicContact CZ3-CD2 4.43Å; W50-Y170 AromaticContact CZ3-CG 3.74Å; W50-Y170 HydrophobicContact CZ3-CG 3.74Å; W50-G174 VanDerWaalsContact CG-CA 3.48Å; W50-L178 HydrophobicContact CD2-CD1 4.44Å; W50-L178 HydrophobicContact CH2-CD1 4.26Å; W50-L178 HydrophobicContact CZ2-CD1 3.82Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å
51I97.6Very high96.9Very high0 Ų067.2 Ų67.20%034%0.341CS..G310 helixtrans-88.8-20.2173.6-163.570.2000111.7F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.46Å; F32-I51 HydrophobicContact CD2-CD1 3.95Å; F32-I51 HydrophobicContact CD2-CG1 4Å; F32-I51 HydrophobicContact CE2-CD1 4.33Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.5Å; V33-I51 HydrophobicContact CG1-CG1 4.34Å; P46-I51 HydrophobicContact CB-CG2 3.65Å; A48-I51 WeakPolarHBondContact O-CG2 3.41Å; A48-I51 PolarHBondContact O-N 2.86Å; P49-I51 PolarHBondContact O-N 3.17Å; I51-Q53 PolarHBondContact O-N 2.84Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.27Å; I51-E54 WeakPolarHBondContact O-CB 3.49Å; I51-E54 WeakPolarHBondContact O-CG 3.35Å; I51-E54 PolarHBondContact O-N 2.89Å; I51-Y58 HydrophobicContact CD1-CE1 4.12Å; I51-Y58 HydrophobicContact CG1-CE1 4.14Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.78Å; I51-W59 HydrophobicContact CG1-CZ2 4.06Å; I51-W59 HydrophobicContact CG2-CH2 4Å; I51-W59 HydrophobicContact CG2-CZ2 4.4Å; I51-W59 WeakPolarHBondContact O-CZ2 3.43Å; I51-Y170 HydrophobicContact CD1-CD1 3.77Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å
52E96.1Very high97.1Very high125 Ų12565.9 Ų65.958%0.58433%0.329SS*.THydrogen-bonded Turntrans-64.5-22.4-176.2-64.5-178.3-175.100113.3P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P49-E52 WeakPolarHBondContact O-CB 3.27Å; P49-E52 PolarHBondContact O-N 3.07Å; P49-E52 VanDerWaalsContact O-N 3.12Å; E52-E54 PolarHBondContact O-N 2.87Å
53Q94.6Very high97.2Very high122 Ų12262.1 Ų62.157%0.5731%0.312SS*.THydrogen-bonded Turntrans-72.2-11.8175.868.3-177.711.500114W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.3Å; I51-Q53 PolarHBondContact O-N 2.84Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 2.78Å; Q53-N173 PolarHBondContact NE2-OD1 2.88Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.12Å
54E96.9Very high97.3Very high12 Ų1262 Ų626%0.05631%0.312CS..SBendtrans-65.3139175.1-67.6-62.1162.800111.1I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.27Å; I51-E54 WeakPolarHBondContact O-CB 3.49Å; I51-E54 WeakPolarHBondContact O-CG 3.35Å; I51-E54 PolarHBondContact O-N 2.89Å; E52-E54 PolarHBondContact O-N 2.87Å; E54-Y58 HydrophobicContact CB-CD1 3.46Å; E54-Y58 VanDerWaalsContact CB-CD1 3.46Å; E54-Y58 HydrophobicContact CB-CE1 4.1Å; E54-Y58 HydrophobicContact CB-CG 3.78Å; E54-Y58 HydrophobicContact CG-CD1 3.96Å; E54-Y58 HydrophobicContact CG-CE1 4.19Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; E54-W59 PolarHBondContact O-NE1 2.68Å; E54-R169 IonicContact OE1-CZ 3.64Å; E54-R169 IonicContact OE1-NE 2.99Å; E54-R169 PolarHBondContact OE1-NE 3.08Å; E54-R169 IonicContact OE1-NH2 3.5Å; E54-R169 PolarHBondContact OE1-NH2 2.99Å; E54-R169 IonicContact OE2-CZ 3.7Å; E54-R169 IonicContact OE2-NE 3.74Å; E54-R169 IonicContact OE2-NH2 3.09Å; E54-R169 PolarHBondContact OE2-NH2 3.32Å; E54-N173 PolarHBondContact OE1-ND2 2.88Å
55G96.6Very high97.2Very high37 Ų3764.7 Ų64.738%0.38133%0.327SS..  trans-70.8168.1-174.900000114E57 Y58 W59G55-E57 PolarHBondContact O-N 3.01Å; G55-Y58 WeakPolarHBondContact O-CB 3.38Å; G55-Y58 PolarHBondContact O-N 2.89Å; G55-W59 VanDerWaalsContact O-CD1 3.27Å; G55-W59 PolarHBondContact O-N 3.18Å
56P97.2Very high97.2Very high97 Ų9762.1 Ų62.163%0.6332%0.315SS*.Hα-helixtrans-57.9-33.9-178.823.2-33.9000113.3Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.03Å; P56-W59 PolarHBondContact O-N 3.19Å; P56-D60 WeakPolarHBondContact O-CB 3.3Å; P56-D60 PolarHBondContact O-N 2.85Å
57E97.7Very high97.2Very high164 Ų16463.9 Ų63.977%0.76632%0.318SS*.Hα-helixtrans-60.1-37.2177.7-64.8-178.2176.100112.7G55 Q61G55-E57 PolarHBondContact O-N 3.01Å; E57-Q61 VanDerWaalsContact O-CB 3.23Å; E57-Q61 WeakPolarHBondContact O-CB 3.47Å; E57-Q61 PolarHBondContact O-N 2.86Å
58Y97.7Very high97.3Very high17 Ų1761.8 Ų61.87%0.06732%0.322CS..Hα-helixtrans-63.6-51.6175.2169.5-97.1000110.4I51 E54 G55 P56 D60 Q61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.12Å; I51-Y58 HydrophobicContact CG1-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CD1 3.46Å; E54-Y58 VanDerWaalsContact CB-CD1 3.46Å; E54-Y58 HydrophobicContact CB-CE1 4.1Å; E54-Y58 HydrophobicContact CB-CG 3.78Å; E54-Y58 HydrophobicContact CG-CD1 3.96Å; E54-Y58 HydrophobicContact CG-CE1 4.19Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; G55-Y58 WeakPolarHBondContact O-CB 3.38Å; G55-Y58 PolarHBondContact O-N 2.89Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.03Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 2.99Å; Y58-Q61 PolarHBondContact O-N 3.36Å; Y58-E62 HydrophobicContact CD1-CG 4.47Å; Y58-E62 HydrophobicContact CD2-CG 4.07Å; Y58-E62 HydrophobicContact CE1-CG 4.08Å; Y58-E62 HydrophobicContact CE2-CG 3.63Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CB 3.43Å; Y58-E62 WeakPolarHBondContact O-CG 3.39Å; Y58-E62 PolarHBondContact O-N 2.93Å; Y58-W166 AromaticContact CD2-CH2 3.48Å; Y58-W166 HydrophobicContact CD2-CH2 3.48Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.48Å; Y58-W166 HydrophobicContact CD2-CZ2 4.04Å; Y58-W166 AromaticContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CE3 4.43Å; Y58-W166 AromaticContact CE2-CH2 3.87Å; Y58-W166 HydrophobicContact CE2-CH2 3.87Å; Y58-W166 HydrophobicContact CE2-CZ2 4.3Å; Y58-W166 AromaticContact CE2-CZ3 3.93Å; Y58-W166 HydrophobicContact CE2-CZ3 3.93Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.49Å; Y58-Y170 PolarHBondContact OH-OH 3.33Å
59W98.3Very high97.4Very high41 Ų4163.5 Ų63.516%0.15533%0.329CS..Hα-helixtrans-63.3-38.3-179-63.9111.5000113V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.12Å; V33-W59 HydrophobicContact CG1-CZ3 3.9Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.15Å; M44-W59 HydrophobicContact CG-CZ3 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.44Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.78Å; I51-W59 HydrophobicContact CG1-CZ2 4.06Å; I51-W59 HydrophobicContact CG2-CH2 4Å; I51-W59 HydrophobicContact CG2-CZ2 4.4Å; I51-W59 WeakPolarHBondContact O-CZ2 3.43Å; E54-W59 PolarHBondContact O-NE1 2.68Å; G55-W59 VanDerWaalsContact O-CD1 3.27Å; G55-W59 PolarHBondContact O-N 3.18Å; P56-W59 PolarHBondContact O-N 3.19Å; W59-T63 WeakPolarHBondContact O-CB 3.16Å; W59-T63 PolarHBondContact O-N 2.68Å; W59-T63 PolarHBondContact O-OG1 3.14Å
60D98.2Very high97.5Very high85 Ų8559.3 Ų59.346%0.45530%0.303SS..Hα-helixtrans-69.3-39.3176-77.1-20.9000111.9P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.3Å; P56-D60 PolarHBondContact O-N 2.85Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 2.99Å; D60-R64 WeakPolarHBondContact O-CB 3.29Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.26Å; D60-R64 PolarHBondContact O-N 2.78Å; D60-R64 PolarHBondContact O-NE 3.23Å
61Q97.8Very high97.5Very high77 Ų7763.7 Ų63.736%0.3632%0.324SS..Hα-helixtrans-67-48.1175.5-175.362.653.800111.2E57 Y58 T63 R64 N65E57-Q61 VanDerWaalsContact O-CB 3.23Å; E57-Q61 WeakPolarHBondContact O-CB 3.47Å; E57-Q61 PolarHBondContact O-N 2.86Å; Y58-Q61 PolarHBondContact O-N 3.36Å; Q61-T63 PolarHBondContact O-N 2.92Å; Q61-R64 PolarHBondContact O-N 3.44Å; Q61-N65 PolarHBondContact NE2-OD1 3.44Å; Q61-N65 PolarHBondContact O-N 2.82Å; Q61-N65 PolarHBondContact O-ND2 3.33Å; Q61-N65 PolarHBondContact O-OD1 3.48Å
62E97.9Very high97.6Very high24 Ų2466.9 Ų66.911%0.11234%0.343CS..Hα-helixtrans-63.1-42.4179.3-72.8-57.598.600111.5M44 Y58 R64 N65 V66M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CE-CB 4.43Å; M44-E62 HydrophobicContact CG-CB 4.11Å; Y58-E62 HydrophobicContact CD1-CG 4.47Å; Y58-E62 HydrophobicContact CD2-CG 4.07Å; Y58-E62 HydrophobicContact CE1-CG 4.08Å; Y58-E62 HydrophobicContact CE2-CG 3.63Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CB 3.43Å; Y58-E62 WeakPolarHBondContact O-CG 3.39Å; Y58-E62 PolarHBondContact O-N 2.93Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.67Å; E62-N65 PolarHBondContact O-N 2.8Å; E62-N65 PolarHBondContact OE1-ND2 3.37Å; E62-N65 VanDerWaalsContact OE1-ND2 3.15Å; E62-V66 WeakPolarHBondContact O-CG2 3.45Å; E62-V66 PolarHBondContact O-N 2.87Å
63T98.5Very high97.6Very high13 Ų1360.9 Ų60.98%0.0832%0.315CS..Hα-helixtrans-60.2-43.3174.2-62.80000111.7R43 M44 W59 Q61 V66 K67R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.11Å; M44-T63 PolarHBondContact N-OG1 3.41Å; W59-T63 WeakPolarHBondContact O-CB 3.16Å; W59-T63 PolarHBondContact O-N 2.68Å; W59-T63 PolarHBondContact O-OG1 3.14Å; Q61-T63 PolarHBondContact O-N 2.92Å; T63-V66 WeakPolarHBondContact O-CG2 3.32Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CB 3.27Å; T63-K67 WeakPolarHBondContact O-CG 3.39Å; T63-K67 PolarHBondContact O-N 3.05Å
64R98.3Very high97.7Very high149 Ų14960.3 Ų60.356%0.56231%0.308SS*.Hα-helixtrans-63.9-43.1176.5-79.1-175.2-68.2145-0.3111.7D60 Q61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.29Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.26Å; D60-R64 PolarHBondContact O-N 2.78Å; D60-R64 PolarHBondContact O-NE 3.23Å; Q61-R64 PolarHBondContact O-N 3.44Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.67Å; R64-K67 PolarHBondContact O-N 2.95Å; R64-A68 WeakPolarHBondContact O-CB 3.17Å; R64-A68 PolarHBondContact O-N 3.44Å
65N97.3Very high97.8Very high67 Ų6764.2 Ų64.236%0.35833%0.332SS..Hα-helixtrans-59.3-51.5178.9-67.5-18000111.2Q61 E62 K67 A68 Q69Q61-N65 PolarHBondContact NE2-OD1 3.44Å; Q61-N65 PolarHBondContact O-N 2.82Å; Q61-N65 PolarHBondContact O-ND2 3.33Å; Q61-N65 PolarHBondContact O-OD1 3.48Å; E62-N65 PolarHBondContact O-N 2.8Å; E62-N65 PolarHBondContact OE1-ND2 3.37Å; E62-N65 VanDerWaalsContact OE1-ND2 3.15Å; N65-K67 PolarHBondContact O-N 2.95Å; N65-A68 PolarHBondContact O-N 2.89Å; N65-Q69 PolarHBondContact O-N 2.88Å
66V97.9Very high97.8Very high4 Ų465.3 Ų65.32%0.02433%0.329CS..Hα-helixtrans-69.5-30.9-179.1-64.70000113.4F8 F21 A23 F35 M44 E62 T63 Q69 S70F8-V66 HydrophobicContact CZ-CG1 4.46Å; F21-V66 HydrophobicContact CE1-CB 4.14Å; A23-V66 HydrophobicContact CB-CG1 4.18Å; F35-V66 HydrophobicContact CB-CG2 4.06Å; F35-V66 HydrophobicContact CD1-CG2 4.23Å; F35-V66 HydrophobicContact CD2-CG2 3.43Å; F35-V66 VanDerWaalsContact CD2-CG2 3.43Å; F35-V66 HydrophobicContact CE2-CG2 3.85Å; F35-V66 HydrophobicContact CG-CB 4.36Å; F35-V66 HydrophobicContact CG-CG2 3.65Å; F35-V66 HydrophobicContact CZ-CG2 4.43Å; M44-V66 HydrophobicContact CE-CB 4.4Å; M44-V66 HydrophobicContact CE-CG1 3.36Å; M44-V66 HydrophobicContact CE-CG2 4.22Å; E62-V66 WeakPolarHBondContact O-CG2 3.45Å; E62-V66 PolarHBondContact O-N 2.87Å; T63-V66 WeakPolarHBondContact O-CG2 3.32Å; V66-Q69 PolarHBondContact O-N 2.92Å; V66-S70 WeakPolarHBondContact O-CB 3.27Å; V66-S70 PolarHBondContact O-N 2.97Å
67K98.2Very high97.9Very high82 Ų8261.1 Ų61.136%0.35730%0.302SS..Hα-helixtrans-66.7-41.1171.8-76.7-174.1179.8-174.20112F35 Q42 T63 R64 N65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.2Å; F35-K67 HydrophobicContact CZ-CG 4.11Å; Q42-K67 WeakPolarHBondContact O-CE 3.32Å; Q42-K67 PolarHBondContact O-NZ 3.28Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CB 3.27Å; T63-K67 WeakPolarHBondContact O-CG 3.39Å; T63-K67 PolarHBondContact O-N 3.05Å; R64-K67 PolarHBondContact O-N 2.95Å; N65-K67 PolarHBondContact O-N 2.95Å; K67-S70 PolarHBondContact O-N 2.97Å; K67-Q71 WeakPolarHBondContact O-CG 3.39Å; K67-Q71 PolarHBondContact O-N 2.92Å; K67-Q71 VanDerWaalsContact O-N 3.11Å
68A98.2Very high97.8Very high58 Ų5855 Ų5548%0.47928%0.283SS..Hα-helixtrans-63.9-42.1175.300000111.5R64 N65 Q71 T72R64-A68 WeakPolarHBondContact O-CB 3.17Å; R64-A68 PolarHBondContact O-N 3.44Å; N65-A68 PolarHBondContact O-N 2.89Å; A68-Q71 PolarHBondContact O-N 2.82Å; A68-T72 PolarHBondContact O-N 3.17Å; A68-T72 VanDerWaalsContact O-N 3.07Å; A68-T72 PolarHBondContact O-OG1 3.49Å
69Q98Very high97.7Very high41 Ų4156.6 Ų56.619%0.19229%0.294CS..Hα-helixtrans-62.5-44.7173.7-172.666.654.800111.6F8 F21 N65 V66 Q71 T72 D73F8-Q69 HydrophobicContact CD2-CG 3.59Å; F8-Q69 HydrophobicContact CE2-CB 4.29Å; F8-Q69 HydrophobicContact CE2-CG 3.66Å; F21-Q69 HydrophobicContact CE2-CB 4.43Å; F21-Q69 HydrophobicContact CE2-CG 4Å; F21-Q69 HydrophobicContact CZ-CB 4.22Å; F21-Q69 HydrophobicContact CZ-CG 4.08Å; N65-Q69 PolarHBondContact O-N 2.88Å; V66-Q69 PolarHBondContact O-N 2.92Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.46Å; Q69-T72 CarbonylContact O-C 3.59Å; Q69-T72 WeakPolarHBondContact O-CA 3.49Å; Q69-T72 WeakPolarHBondContact O-CB 3.43Å; Q69-T72 PolarHBondContact O-N 3.01Å; Q69-D73 PolarHBondContact NE2-OD1 3.38Å; Q69-D73 PolarHBondContact O-N 2.88Å
70S97.8Very high97.7Very high17 Ų1755.1 Ų55.112%0.11929%0.29CS..Hα-helixtrans-56.7-38.5177173.70000113F21 V66 K67 R74F21-S70 WeakPolarHBondContact CB-OG 3.35Å; V66-S70 WeakPolarHBondContact O-CB 3.27Å; V66-S70 PolarHBondContact O-N 2.97Å; K67-S70 PolarHBondContact O-N 2.97Å; S70-R74 WeakPolarHBondContact O-CB 2.94Å; S70-R74 PolarHBondContact O-N 2.79Å; S70-R74 VanDerWaalsContact O-N 3.13Å
71Q97.8Very high97.6Very high106 Ų10654.4 Ų54.450%0.49528%0.281SS..Hα-helixtrans-70.7-35173.9-64-50.8-55.100112.5K67 A68 Q69 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.39Å; K67-Q71 PolarHBondContact O-N 2.92Å; K67-Q71 VanDerWaalsContact O-N 3.11Å; A68-Q71 PolarHBondContact O-N 2.82Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.46Å; Q71-R74 PolarHBondContact O-N 2.8Å; Q71-V75 WeakPolarHBondContact O-CG2 3.38Å; Q71-V75 PolarHBondContact O-N 2.86Å
72T97.9Very high97.6Very high66 Ų6652.9 Ų52.941%0.40529%0.285SS..Hα-helixtrans-63.7-51.2175.2-55.40000110.3A68 Q69 R74 V75 D76A68-T72 PolarHBondContact O-N 3.17Å; A68-T72 VanDerWaalsContact O-N 3.07Å; A68-T72 PolarHBondContact O-OG1 3.49Å; Q69-T72 CarbonylContact O-C 3.59Å; Q69-T72 WeakPolarHBondContact O-CA 3.49Å; Q69-T72 WeakPolarHBondContact O-CB 3.43Å; Q69-T72 PolarHBondContact O-N 3.01Å; T72-R74 PolarHBondContact O-N 2.93Å; T72-V75 PolarHBondContact O-N 2.91Å; T72-D76 PolarHBondContact O-N 3.12Å
73D97.6Very high97.6Very high0 Ų054.4 Ų54.40%029%0.291CS..Hα-helixtrans-59.5-35.3178.2-75.125.1000112.5S10 F21 Q69 D76 L77S10-D73 WeakPolarHBondContact CB-OD2 3.37Å; S10-D73 WeakPolarHBondContact OG-CB 3.49Å; S10-D73 PolarHBondContact OG-OD2 3.29Å; F21-D73 HydrophobicContact CD2-CB 4.47Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.38Å; Q69-D73 PolarHBondContact NE2-OD1 3.38Å; Q69-D73 PolarHBondContact O-N 2.88Å; D73-D76 PolarHBondContact O-N 2.88Å; D73-L77 WeakPolarHBondContact O-CB 3.48Å; D73-L77 VanDerWaalsContact O-CG 3.32Å; D73-L77 WeakPolarHBondContact O-CG 3.35Å; D73-L77 PolarHBondContact O-N 2.89Å
74R96.9Very high97.5Very high109 Ų10956.9 Ų56.941%0.41130%0.299SS..Hα-helixtrans-60.3-45174.1174-170.1166.5157.717.6111.6E18 P19 S70 Q71 T72E18-R74 VanDerWaalsContact CD-NH2 3.28Å; E18-R74 IonicContact OE1-CZ 3.53Å; E18-R74 IonicContact OE1-NH1 3.3Å; E18-R74 PolarHBondContact OE1-NH1 3.03Å; E18-R74 IonicContact OE1-NH2 3.56Å; E18-R74 PolarHBondContact OE1-NH2 3.44Å; E18-R74 WeakPolarHBondContact OE2-CD 3.03Å; E18-R74 IonicContact OE2-CZ 2.69Å; E18-R74 IonicContact OE2-NE 3.33Å; E18-R74 PolarHBondContact OE2-NE 2.97Å; E18-R74 VanDerWaalsContact OE2-NE 3.09Å; E18-R74 IonicContact OE2-NH1 3.46Å; E18-R74 PolarHBondContact OE2-NH1 3.29Å; E18-R74 VanDerWaalsContact OE2-NH1 3.08Å; E18-R74 IonicContact OE2-NH2 3.95Å; E18-R74 PolarHBondContact OE2-NH2 3.08Å; E18-R74 VanDerWaalsContact OE2-NH2 3.12Å; P19-R74 HydrophobicContact CG-CB 4.43Å; P19-R74 HydrophobicContact CG-CG 4.21Å; S70-R74 WeakPolarHBondContact O-CB 2.94Å; S70-R74 PolarHBondContact O-N 2.79Å; S70-R74 VanDerWaalsContact O-N 3.13Å; Q71-R74 PolarHBondContact O-N 2.8Å; T72-R74 PolarHBondContact O-N 2.93Å
75V97.5Very high97.4Very high94 Ų9457 Ų5757%0.5731%0.311SS*.Hα-helixtrans-69-39.6177.4175.20000110.4Q71 T72 L77 G78 T79Q71-V75 WeakPolarHBondContact O-CG2 3.38Å; Q71-V75 PolarHBondContact O-N 2.86Å; T72-V75 PolarHBondContact O-N 2.91Å; V75-L77 PolarHBondContact O-N 2.77Å; V75-G78 PolarHBondContact O-N 3.41Å; V75-T79 PolarHBondContact O-N 3.32Å; V75-T79 PolarHBondContact O-OG1 2.79Å
76D97.9Very high97.4Very high60 Ų6056.8 Ų56.832%0.32131%0.307SS..Hα-helixtrans-66.5-37.3179.6-70.8-19.5000111.8T72 D73 G78 T79 L80 I94T72-D76 PolarHBondContact O-N 3.12Å; D73-D76 PolarHBondContact O-N 2.88Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.8Å; D76-T79 PolarHBondContact O-N 2.97Å; D76-T79 VanDerWaalsContact O-N 3.08Å; D76-L80 WeakPolarHBondContact O-CB 3.11Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.22Å; D76-L80 PolarHBondContact O-N 2.03Å; D76-I94 HydrophobicContact CB-CD1 3.68Å
77L97.6Very high97.2Very high9 Ų960.3 Ų60.35%0.04733%0.332CS..Hα-helixtrans-56.5-42.5173.6-82.1165.9000111.7P19 D73 V75 R81 H92 I94 Y117P19-L77 HydrophobicContact CB-CD1 3.58Å; P19-L77 HydrophobicContact CG-CD1 3.67Å; D73-L77 WeakPolarHBondContact O-CB 3.48Å; D73-L77 VanDerWaalsContact O-CG 3.32Å; D73-L77 WeakPolarHBondContact O-CG 3.35Å; D73-L77 PolarHBondContact O-N 2.89Å; V75-L77 PolarHBondContact O-N 2.77Å; L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.3Å; L77-R81 PolarHBondContact O-N 2.79Å; L77-H92 HydrophobicContact CD2-CB 4.1Å; L77-I94 HydrophobicContact CB-CD1 4.4Å; L77-I94 HydrophobicContact CD2-CD1 3.98Å; L77-I94 HydrophobicContact CD2-CG1 3.78Å; L77-I94 HydrophobicContact CG-CD1 3.75Å; L77-I94 HydrophobicContact CG-CG1 4.1Å; L77-Y117 HydrophobicContact CD2-CE2 4.37Å
78G95.7Very high96.8Very high37 Ų3762.7 Ų62.738%0.38135%0.345SS..Hα-helixtrans-69.4-38.7175.400000112.8V75 D76 G82V75-G78 PolarHBondContact O-N 3.41Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.8Å; G78-G82 PolarHBondContact O-N 2.81Å
79T97.4Very high96.4Very high49 Ų4966.9 Ų66.930%0.30136%0.359SS..Hα-helixtrans-66.2-48.6179.2-60.50000111.7V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 3.32Å; V75-T79 PolarHBondContact O-OG1 2.79Å; D76-T79 PolarHBondContact O-N 2.97Å; D76-T79 VanDerWaalsContact O-N 3.08Å; T79-G82 WeakPolarHBondContact O-CA 3.31Å; T79-G82 PolarHBondContact O-N 2.87Å; T79-G82 VanDerWaalsContact O-N 3.14Å; T79-Y83 HydrophobicContact CG2-CD1 4.4Å; T79-Y83 HydrophobicContact CG2-CD2 4.43Å; T79-Y83 HydrophobicContact CG2-CE1 3.79Å; T79-Y83 HydrophobicContact CG2-CE2 3.82Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.44Å; T79-Y83 WeakPolarHBondContact CG2-OH 3.4Å; T79-Y83 WeakPolarHBondContact O-CD1 3.41Å; T79-Y83 PolarHBondContact O-N 2.87Å
80L97.8Very high96.1Very high11 Ų1165.8 Ų65.86%0.05836%0.359CS..Hα-helixtrans-63.7-44179.3-67.8176.3000111.1D76 G82 Y83 Y84 I94 Y117 Y122D76-L80 WeakPolarHBondContact O-CB 3.11Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.22Å; D76-L80 PolarHBondContact O-N 2.03Å; L80-G82 PolarHBondContact O-N 3.06Å; L80-Y83 HydrophobicContact CD2-CD2 4.35Å; L80-Y83 PolarHBondContact O-N 3.16Å; L80-Y84 HydrophobicContact CD2-CE2 4.49Å; L80-Y84 VanDerWaalsContact O-CD2 3.25Å; L80-Y84 WeakPolarHBondContact O-CD2 3.46Å; L80-Y84 PolarHBondContact O-N 2.93Å; L80-I94 HydrophobicContact CD1-CD1 3.59Å; L80-I94 HydrophobicContact CD1-CG1 3.7Å; L80-Y117 HydrophobicContact CB-CD1 4.41Å; L80-Y117 HydrophobicContact CB-CD2 4.16Å; L80-Y117 HydrophobicContact CB-CE1 4.07Å; L80-Y117 HydrophobicContact CB-CE2 3.81Å; L80-Y117 HydrophobicContact CB-CG 4.44Å; L80-Y117 HydrophobicContact CD1-CD2 3.46Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.46Å; L80-Y117 HydrophobicContact CD1-CE2 3.86Å; L80-Y117 HydrophobicContact CD1-CG 3.86Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y117 HydrophobicContact CG-CE2 4.5Å; L80-Y122 HydrophobicContact CD2-CD2 4.34Å; L80-Y122 HydrophobicContact CD2-CE1 3.81Å; L80-Y122 HydrophobicContact CD2-CE2 3.57Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.34Å
81R96.5Very high96Very high70 Ų7068.7 Ų68.726%0.26438%0.379SS..Hα-helixtrans-52.8-41.9173-172.4-174.868.5179.610.3111.7L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.3Å; L77-R81 PolarHBondContact O-N 2.79Å; R81-N85 PolarHBondContact O-N 2.94Å; R81-N85 VanDerWaalsContact O-N 3.13Å; R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 3.38Å; R81-Q86 PolarHBondContact O-N 3.27Å; R81-E88 IonicContact CZ-OE1 3.03Å; R81-E88 IonicContact NH1-OE1 2.71Å; R81-E88 IonicContact NH2-OE1 2.69Å; R81-E88 PolarHBondContact NH2-OE1 2.97Å
82G96.6Very high96Very high44 Ų4464.2 Ų64.245%0.45436%0.358SS..Hα-helixtrans-65.2-44174.100000113.4G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.81Å; T79-G82 WeakPolarHBondContact O-CA 3.31Å; T79-G82 PolarHBondContact O-N 2.87Å; T79-G82 VanDerWaalsContact O-N 3.14Å; L80-G82 PolarHBondContact O-N 3.06Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 2.9Å; G82-N85 PolarHBondContact O-N 2.74Å
83Y97.8Very high96.1Very high57 Ų5762.7 Ų62.722%0.22435%0.349CS..Hα-helixtrans-62.5-35.8178.8-68.8-4.3000112.8T79 L80 I141 K145T79-Y83 HydrophobicContact CG2-CD1 4.4Å; T79-Y83 HydrophobicContact CG2-CD2 4.43Å; T79-Y83 HydrophobicContact CG2-CE1 3.79Å; T79-Y83 HydrophobicContact CG2-CE2 3.82Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.44Å; T79-Y83 WeakPolarHBondContact CG2-OH 3.4Å; T79-Y83 WeakPolarHBondContact O-CD1 3.41Å; T79-Y83 PolarHBondContact O-N 2.87Å; L80-Y83 HydrophobicContact CD2-CD2 4.35Å; L80-Y83 PolarHBondContact O-N 3.16Å; Y83-I141 HydrophobicContact CD1-CD1 4.3Å; Y83-I141 HydrophobicContact CD2-CB 4.46Å; Y83-I141 HydrophobicContact CD2-CD1 4.3Å; Y83-I141 HydrophobicContact CE1-CD1 4.48Å; Y83-I141 HydrophobicContact CE1-CG2 4.36Å; Y83-I141 HydrophobicContact CE2-CB 4.02Å; Y83-I141 HydrophobicContact CE2-CD1 4.47Å; Y83-I141 HydrophobicContact CE2-CG2 3.86Å; Y83-I141 HydrophobicContact CG-CD1 4.22Å; Y83-K145 PolarHBondContact OH-NZ 2.82Å
84Y97.6Very high96.1Very high65 Ų6563.1 Ų63.126%0.25535%0.351SS..THydrogen-bonded Turntrans-91.83.3179-69.3-73.8000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.49Å; L80-Y84 VanDerWaalsContact O-CD2 3.25Å; L80-Y84 WeakPolarHBondContact O-CD2 3.46Å; L80-Y84 PolarHBondContact O-N 2.93Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 2.9Å; Y84-Q86 VanDerWaalsContact C-N 3.25Å; Y84-Q86 PolarHBondContact O-N 3.41Å; Y84-Y117 AromaticContact CD2-CD1 3.72Å; Y84-Y117 HydrophobicContact CD2-CD1 3.72Å; Y84-Y117 AromaticContact CD2-CE1 3.52Å; Y84-Y117 HydrophobicContact CD2-CE1 3.52Å; Y84-Y117 AromaticContact CE2-CD1 3.53Å; Y84-Y117 HydrophobicContact CE2-CD1 3.53Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CG 4.49Å; Y84-Y117 HydrophobicContact CG-CE1 4.38Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.07Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.49Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.25Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.87Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 2.92Å; Y84-A138 HydrophobicContact CD1-CB 4.16Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.6Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.44Å
85N96.3Very high96.2Very high152 Ų15261.8 Ų61.881%0.81335%0.349SS*.THydrogen-bonded Turntrans51.841.6-177.2-57.8-59.8000113.3R81 G82R81-N85 PolarHBondContact O-N 2.94Å; R81-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-N 2.74Å
86Q96.4Very high96.3Very high61 Ų6157.5 Ų57.529%0.28532%0.323SS..  trans-88.8152.7-177.1-70.5165.1-37.200111.9R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 3.38Å; R81-Q86 PolarHBondContact O-N 3.27Å; Y84-Q86 VanDerWaalsContact C-N 3.25Å; Y84-Q86 PolarHBondContact O-N 3.41Å; Q86-H92 PolarHBondContact NE2-CE1 3.19Å; Q86-H92 PolarHBondContact OE1-CE1 3.32Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.28Å; Q86-Y117 PolarHBondContact OE1-OH 2.83Å; Q86-D118 PolarHBondContact NE2-OD2 3.21Å
87S93.4Very high96.3Very high78 Ų7855.9 Ų55.955%0.54531%0.314SS..  trans-70.1153.8-179.858.40000112.9D89 G90S87-D89 VanDerWaalsContact C-N 3.29Å; S87-D89 PolarHBondContact O-N 3.43Å; S87-G90 PolarHBondContact O-N 2.94Å
88E89.3Confident96.4Very high132 Ų13256.9 Ų56.962%0.61732%0.317SS*.THydrogen-bonded Turntrans-69.5-25.4179.6-56.8-153.6123.600114.3P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.3Å; P14-E88 WeakPolarHBondContact CG-O 3.18Å; R81-E88 IonicContact CZ-OE1 3.03Å; R81-E88 IonicContact NH1-OE1 2.71Å; R81-E88 IonicContact NH2-OE1 2.69Å; R81-E88 PolarHBondContact NH2-OE1 2.97Å; E88-G90 PolarHBondContact O-N 2.88Å
89D90.1Very high96.5Very high146 Ų14655.1 Ų55.178%0.78130%0.299SS*.THydrogen-bonded Turntrans-77.4-7.9-178.5-58.6-38.1000113.1S87S87-D89 VanDerWaalsContact C-N 3.29Å; S87-D89 PolarHBondContact O-N 3.43Å
90G92.1Very high96.5Very high19 Ų1952.8 Ų52.820%0.19629%0.285CS..  trans-77.3131.2179.900000112.8P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.46Å; S87-G90 PolarHBondContact O-N 2.94Å; E88-G90 PolarHBondContact O-N 2.88Å; G90-H92 PolarHBondContact O-CD2 2.64Å
91S96.7Very high96.6Very high77 Ų7753.7 Ų53.754%0.53829%0.29SS..  trans-80.6127.5166.3179.90000109S12S12-S91 PolarHBondContact O-OG 3.26Å; S12-S91 VanDerWaalsContact O-OG 3.07Å
92H98Very high96.7Very high13 Ų1350.4 Ų50.46%0.0628%0.278CS..  trans-127.7152.8-175.5-64.8-71000110.8V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.34Å; S12-H92 PolarHBondContact N-O 2.71Å; S12-H92 PolarHBondContact OG-N 3.03Å; S12-H92 PolarHBondContact OG-O 2.69Å; L77-H92 HydrophobicContact CD2-CB 4.1Å; Q86-H92 PolarHBondContact NE2-CE1 3.19Å; Q86-H92 PolarHBondContact OE1-CE1 3.32Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.28Å; G90-H92 PolarHBondContact O-CD2 2.64Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 WeakPolarHBondContact CB-OH 3.47Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 2.82Å; H92-D118 WeakPolarHBondContact CA-OD1 3.48Å; H92-D118 IonicContact CE1-OD2 3.64Å; H92-D118 IonicContact CG-OD1 2.97Å; H92-D118 IonicContact CG-OD2 3.32Å; H92-D118 IonicContact ND1-OD1 3.47Å; H92-D118 IonicContact ND1-OD2 2.78Å; H92-D118 PolarHBondContact ND1-OD2 3.13Å
93T98.6Very high96.7Very high34 Ų3448.4 Ų48.421%0.20926%0.257CS..EExtended strand (participates in β ladder)trans-127.5129.9-175.6-53.10000111.3T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.9Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 VanDerWaalsContact O-CA 3.26Å; S10-T93 WeakPolarHBondContact O-CA 3.37Å; V11-T93 HydrophobicContact CG2-CG2 4.15Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.5Å; T93-Y117 VanDerWaalsContact O-CD2 3.25Å; T93-Y117 WeakPolarHBondContact O-CD2 3.25Å; T93-D118 PolarHBondContact N-OD1 2.79Å; T93-D118 PolarHBondContact O-N 2.68Å
94I98.7Very high96.5Very high8 Ų851.4 Ų51.44%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-104.3134.8163.2-65.8173.9000107.9T9 S10 D76 L77 L80 I96 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.48Å; S10-I94 PolarHBondContact N-O 3.41Å; S10-I94 PolarHBondContact O-N 2.87Å; D76-I94 HydrophobicContact CB-CD1 3.68Å; L77-I94 HydrophobicContact CB-CD1 4.4Å; L77-I94 HydrophobicContact CD2-CD1 3.98Å; L77-I94 HydrophobicContact CD2-CG1 3.78Å; L77-I94 HydrophobicContact CG-CD1 3.75Å; L77-I94 HydrophobicContact CG-CG1 4.1Å; L80-I94 HydrophobicContact CD1-CD1 3.59Å; L80-I94 HydrophobicContact CD1-CG1 3.7Å; I94-I96 HydrophobicContact CG2-CD1 4.21Å; I94-I96 HydrophobicContact CG2-CG1 4.03Å; I94-A116 WeakPolarHBondContact CA-O 3.18Å; I94-Y117 HydrophobicContact CG1-CD2 3.86Å; I94-Y117 HydrophobicContact CG1-CE2 4.28Å
95Q98.8Very high96.4Very high81 Ų8152.8 Ų52.838%0.37930%0.295SS..EExtended strand (participates in β ladder)trans-125.1135.4171.9-65.1172-98.200109.1F8 T9 T93 D115 A116F8-Q95 CarbonylContact O-C 3.56Å; F8-Q95 VanDerWaalsContact O-CA 3.31Å; F8-Q95 WeakPolarHBondContact O-CA 3.4Å; T9-Q95 HydrophobicContact CG2-CG 4.15Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; Q95-D115 CarbonylContact O-C 3.49Å; Q95-D115 WeakPolarHBondContact O-CA 3.38Å; Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 3.35Å; Q95-A116 PolarHBondContact O-N 3.42Å
96I98.6Very high96.3Very high5 Ų546.2 Ų46.23%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-128.7132.4179.8-64165.2000108.1F7 F8 I94 Y98 R113 Q114 D115F7-I96 CarbonylContact C-O 3.56Å; F7-I96 VanDerWaalsContact CA-O 3.3Å; F7-I96 WeakPolarHBondContact CA-O 3.01Å; F8-I96 HydrophobicContact CB-CB 4.25Å; F8-I96 PolarHBondContact N-O 3.09Å; F8-I96 PolarHBondContact O-N 2.87Å; I94-I96 HydrophobicContact CG2-CD1 4.21Å; I94-I96 HydrophobicContact CG2-CG1 4.03Å; I96-Y98 HydrophobicContact CG2-CD1 4.1Å; I96-R113 VanDerWaalsContact CG2-NH1 3.32Å; I96-Q114 CarbonylContact C-O 3.54Å; I96-Q114 WeakPolarHBondContact CA-O 3.38Å; I96-D115 HydrophobicContact CG1-CB 4.37Å
97M98.6Very high96.3Very high25 Ų2551.3 Ų51.312%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-123.6130.1168-177.1-81.1-67.100109.6Y6 F7 Y112 R113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.01Å; F7-M97 HydrophobicContact CD1-CB 3.89Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.01Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CG-CG 4.48Å; F7-M97 HydrophobicContact CZ-CG 3.93Å; M97-Y112 HydrophobicContact CE-CD1 4.34Å; M97-Y112 HydrophobicContact CE-CG 4.38Å; M97-R113 CarbonylContact O-C 3.59Å; M97-R113 WeakPolarHBondContact O-CA 3.39Å; M97-Q114 HydrophobicContact CE-CB 4.36Å; M97-Q114 HydrophobicContact CE-CG 4.14Å; M97-Q114 PolarHBondContact N-O 2.91Å; M97-Q114 PolarHBondContact O-N 3.33Å
98Y98.6Very high96.6Very high30 Ų3050.5 Ų50.512%0.11827%0.267CS..EExtended strand (participates in β ladder)trans-146.3159.1170.369.8-83.8000111.5R5 Y6 F8 I96 Y112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.45Å; Y6-Y98 AromaticContact CD2-CE2 3.74Å; Y6-Y98 HydrophobicContact CD2-CE2 3.74Å; Y6-Y98 AromaticContact CD2-CZ 3.86Å; Y6-Y98 HydrophobicContact CG-CE1 4.38Å; Y6-Y98 HydrophobicContact CG-CE2 4.19Å; Y6-Y98 AromaticContact CG-CZ 3.82Å; Y6-Y98 PolarHBondContact N-O 3.19Å; Y6-Y98 PolarHBondContact O-N 2.9Å; Y6-Y98 VanDerWaalsContact O-N 3.08Å; F8-Y98 HydrophobicContact CD2-CE1 4.12Å; F8-Y98 HydrophobicContact CE1-CE1 4.2Å; F8-Y98 HydrophobicContact CE2-CD1 4.49Å; F8-Y98 AromaticContact CE2-CE1 3.45Å; F8-Y98 HydrophobicContact CE2-CE1 3.45Å; F8-Y98 VanDerWaalsContact CE2-CE1 3.45Å; F8-Y98 AromaticContact CZ-CE1 3.51Å; F8-Y98 HydrophobicContact CZ-CE1 3.51Å; F8-Y98 AromaticContact CZ-CZ 3.83Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.39Å; I96-Y98 HydrophobicContact CG2-CD1 4.1Å; Y98-Y112 WeakPolarHBondContact CA-O 3.31Å; Y98-Y112 VanDerWaalsContact CB-O 3.26Å; Y98-Y112 WeakPolarHBondContact CB-O 3.21Å; Y98-Y158 AromaticContact CD2-CE1 3.79Å; Y98-Y158 HydrophobicContact CD2-CE1 3.79Å; Y98-Y158 AromaticContact CE2-CE1 3.69Å; Y98-Y158 HydrophobicContact CE2-CE1 3.69Å; Y98-Y158 AromaticContact CE2-CZ 3.98Å
99G98.5Very high97Very high0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans158.5-175.7179.900000113.5M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.44Å; G99-G111 CarbonylContact O-C 3.55Å; G99-G111 WeakPolarHBondContact O-CA 3.33Å; G99-Y112 PolarHBondContact N-O 3Å; G99-Y112 PolarHBondContact O-N 2.83Å; G99-L159 VanDerWaalsContact O-CD2 3.24Å; G99-L159 WeakPolarHBondContact O-CD2 3.23Å
100C98.7Very high97.3Very high0 Ų046.5 Ų46.50%024%0.243CC..EExtended strand (participates in β ladder)trans-136.6153.2-173.457.70000111.6S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.42Å; M4-C100 PolarHBondContact N-O 3.3Å; M4-C100 PolarHBondContact O-N 3.21Å; C100-F108 HydrophobicContact CB-CD2 4.39Å; C100-F108 HydrophobicContact CB-CE2 4.1Å; C100-R110 CarbonylContact C-O 3.56Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 2.85Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.44Å; C100-C163 PolarHBondContact N-SG 3.02Å; C100-C163 WeakPolarHBondContact SG-CB 3.34Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.13Å
101D98.5Very high97.6Very high30 Ų3045.8 Ų45.816%0.1624%0.236CC..EExtended strand (participates in β ladder)trans-114.4143174.2-63.6-2.3000109.6H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.3Å; S3-D101 WeakPolarHBondContact CB-OD1 3.24Å; R5-D101 IonicContact CZ-OD1 3.09Å; R5-D101 IonicContact NE-OD1 3.72Å; R5-D101 PolarHBondContact NE-OD1 2.61Å; R5-D101 VanDerWaalsContact NH2-CG 3.27Å; R5-D101 IonicContact NH2-OD1 3.4Å; R5-D101 PolarHBondContact NH2-OD1 3.38Å; R5-D101 IonicContact NH2-OD2 2.94Å; R5-D101 PolarHBondContact NH2-OD2 2.92Å; D101-L109 HydrophobicContact CB-CB 4.37Å; D101-L109 PolarHBondContact O-N 2.97Å; D101-R110 HydrophobicContact CB-CB 4.4Å; D101-R110 PolarHBondContact N-O 3.03Å; D101-R110 PolarHBondContact O-N 3.42Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.34Å; D101-Y112 PolarHBondContact OD2-OH 2.94Å; D101-Y112 VanDerWaalsContact OD2-OH 3.04Å
102V98.4Very high97.7Very high1 Ų143.9 Ų43.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-125.2145.9175.6-61.70000111.6S1 H2 R107 V164 L167 L171S1-V102 WeakPolarHBondContact CA-O 3.18Å; S1-V102 WeakPolarHBondContact CB-O 3.47Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.16Å; H2-V102 PolarHBondContact O-N 2.84Å; V102-R107 CarbonylContact C-O 3.58Å; V102-R107 WeakPolarHBondContact CA-O 3.25Å; V102-R107 WeakPolarHBondContact CB-O 3.48Å; V102-V164 HydrophobicContact CG1-CB 4.38Å; V102-V164 HydrophobicContact CG1-CG1 3.88Å; V102-V164 HydrophobicContact CG1-CG2 4.05Å; V102-L167 HydrophobicContact CB-CD2 4.32Å; V102-L167 HydrophobicContact CG1-CD2 3.92Å; V102-L167 HydrophobicContact CG2-CD2 3.61Å; V102-L167 HydrophobicContact CG2-CG 4.16Å; V102-L171 HydrophobicContact CG2-CD1 4.44Å
103G97.2Very high97.7Very high2 Ų244.1 Ų44.12%0.02122%0.217CC..  trans-72.2176.1176.400000112.3D105 G106 R107 L109G103-D105 PolarHBondContact O-N 3Å; G103-G106 WeakPolarHBondContact O-CA 3.34Å; G103-G106 PolarHBondContact O-N 3.22Å; G103-R107 PolarHBondContact N-O 3.43Å; G103-L109 VanDerWaalsContact CA-CD1 3.46Å
104P93.9Very high97.7Very high120 Ų12046.4 Ų46.478%0.77923%0.226SC*.THydrogen-bonded Turntrans-58.4-26.3175-23.334.4000113.6G106P104-G106 PolarHBondContact O-N 3.3Å
105D94.4Very high97.7Very high94 Ų9446.9 Ų46.950%0.50323%0.228SC..THydrogen-bonded Turntrans-85.26.1174.568-12.5000113.3G103 R107G103-D105 PolarHBondContact O-N 3Å; D105-R107 PolarHBondContact O-N 3.2Å; D105-R107 WeakPolarHBondContact OD1-CB 3.39Å; D105-R107 PolarHBondContact OD1-N 3.13Å; D105-R107 WeakPolarHBondContact OD2-CD 3.32Å; D105-R107 VanDerWaalsContact OD2-CG 3.28Å; D105-R107 WeakPolarHBondContact OD2-CG 3.38Å; D105-R107 IonicContact OD2-CZ 2.71Å; D105-R107 IonicContact OD2-NE 3.85Å; D105-R107 PolarHBondContact OD2-NE 3.31Å
106G94.4Very high97.7Very high15 Ų1544 Ų4416%0.15522%0.218CC..SBendtrans72.75.7-178.200000114.3G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.34Å; G103-G106 PolarHBondContact O-N 3.22Å; P104-G106 PolarHBondContact O-N 3.3Å; G106-R168 PolarHBondContact O-NE 3.32Å; G106-R168 PolarHBondContact O-NH2 3.46Å
107R97.2Very high97.7Very high168 Ų16844.2 Ų44.263%0.63422%0.219SC*.  trans-77.9148.4179.4-65-176.1-161.8174.16.8111.5V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.58Å; V102-R107 WeakPolarHBondContact CA-O 3.25Å; V102-R107 WeakPolarHBondContact CB-O 3.48Å; G103-R107 PolarHBondContact N-O 3.43Å; D105-R107 PolarHBondContact O-N 3.2Å; D105-R107 WeakPolarHBondContact OD1-CB 3.39Å; D105-R107 PolarHBondContact OD1-N 3.13Å; D105-R107 WeakPolarHBondContact OD2-CD 3.32Å; D105-R107 VanDerWaalsContact OD2-CG 3.28Å; D105-R107 WeakPolarHBondContact OD2-CG 3.38Å; D105-R107 IonicContact OD2-CZ 2.71Å; D105-R107 IonicContact OD2-NE 3.85Å; D105-R107 PolarHBondContact OD2-NE 3.31Å; R107-L109 PolarHBondContact O-N 3.37Å
108F98.4Very high97.6Very high60 Ų6045.9 Ų45.926%0.26323%0.228SC..EExtended strand (participates in β ladder)trans-54129.7174.9-178.7-102.6000111C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.39Å; C100-F108 HydrophobicContact CB-CE2 4.1Å; F108-R110 VanDerWaalsContact CE2-C 3.44Å; F108-R110 VanDerWaalsContact CE2-O 3.28Å; F108-R110 WeakPolarHBondContact CE2-O 3.18Å; F108-G111 VanDerWaalsContact CZ-N 3.29Å; F108-L129 HydrophobicContact CE1-CD1 4.05Å; F108-L129 HydrophobicContact CZ-CD1 3.72Å; F108-L159 WeakPolarHBondContact CE2-O 3.39Å; F108-E160 HydrophobicContact CD1-CG 4.12Å; F108-E160 HydrophobicContact CE1-CG 3.88Å; F108-E160 HydrophobicContact CE2-CG 4.34Å; F108-E160 HydrophobicContact CG-CG 4.46Å; F108-E160 HydrophobicContact CZ-CG 3.99Å; F108-V164 HydrophobicContact CB-CG2 3.99Å; F108-V164 HydrophobicContact CD2-CG2 3.63Å; F108-V164 HydrophobicContact CG-CG2 4.29Å
109L97.8Very high97.6Very high104 Ų10447.2 Ų47.255%0.54525%0.251SS..EExtended strand (participates in β ladder)trans-110.4-48.9173.5-68.7-179000111.6D101 G103 R107D101-L109 HydrophobicContact CB-CB 4.37Å; D101-L109 PolarHBondContact O-N 2.97Å; G103-L109 VanDerWaalsContact CA-CD1 3.46Å; R107-L109 PolarHBondContact O-N 3.37Å
110R97.8Very high97.6Very high90 Ų9054.9 Ų54.934%0.3428%0.284SS..EExtended strand (participates in β ladder)trans-155.9149.1-171.7-172.2162.4168.4146.65.9111.4C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.56Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 2.85Å; D101-R110 HydrophobicContact CB-CB 4.4Å; D101-R110 PolarHBondContact N-O 3.03Å; D101-R110 PolarHBondContact O-N 3.42Å; F108-R110 VanDerWaalsContact CE2-C 3.44Å; F108-R110 VanDerWaalsContact CE2-O 3.28Å; F108-R110 WeakPolarHBondContact CE2-O 3.18Å; R110-Y112 HydrophobicContact CB-CE2 4.1Å; R110-Y112 WeakPolarHBondContact CD-OH 3.49Å; R110-Y112 HydrophobicContact CG-CD2 4.46Å; R110-Y112 HydrophobicContact CG-CE1 4.24Å; R110-Y112 HydrophobicContact CG-CE2 3.73Å; R110-Y112 VanDerWaalsContact NE-CE1 3.3Å; R110-Y112 PolarHBondContact NE-OH 3.19Å; R110-E127 VanDerWaalsContact CZ-CD 3.42Å; R110-E127 IonicContact CZ-OE1 3.17Å; R110-E127 IonicContact NH1-OE1 3.55Å; R110-E127 PolarHBondContact NH1-OE1 2.83Å; R110-E127 IonicContact NH1-OE2 3.43Å; R110-E127 VanDerWaalsContact NH2-CD 3.3Å; R110-E127 VanDerWaalsContact NH2-CG 3.34Å; R110-E127 IonicContact NH2-OE1 3.11Å; R110-E127 PolarHBondContact NH2-OE1 3.3Å
111G98.1Very high97.6Very high5 Ų561 Ų615%0.05232%0.317CS..EExtended strand (participates in β ladder)trans-123152.717500000110.7G99 F108G99-G111 CarbonylContact O-C 3.55Å; G99-G111 WeakPolarHBondContact O-CA 3.33Å; F108-G111 VanDerWaalsContact CZ-N 3.29Å
112Y97.8Very high97.6Very high37 Ų3760 Ų6015%0.14531%0.311CS..EExtended strand (participates in β ladder)trans-134.7139.5-177.3-56.6-95.1000109.9M97 Y98 G99 D101 R110M97-Y112 HydrophobicContact CE-CD1 4.34Å; M97-Y112 HydrophobicContact CE-CG 4.38Å; Y98-Y112 WeakPolarHBondContact CA-O 3.31Å; Y98-Y112 VanDerWaalsContact CB-O 3.26Å; Y98-Y112 WeakPolarHBondContact CB-O 3.21Å; G99-Y112 PolarHBondContact N-O 3Å; G99-Y112 PolarHBondContact O-N 2.83Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.34Å; D101-Y112 PolarHBondContact OD2-OH 2.94Å; D101-Y112 VanDerWaalsContact OD2-OH 3.04Å; R110-Y112 HydrophobicContact CB-CE2 4.1Å; R110-Y112 WeakPolarHBondContact CD-OH 3.49Å; R110-Y112 HydrophobicContact CG-CD2 4.46Å; R110-Y112 HydrophobicContact CG-CE1 4.24Å; R110-Y112 HydrophobicContact CG-CE2 3.73Å; R110-Y112 VanDerWaalsContact NE-CE1 3.3Å; R110-Y112 PolarHBondContact NE-OH 3.19Å
113R98.2Very high97.6Very high18 Ų1860.2 Ų60.27%0.06831%0.312CS..EExtended strand (participates in β ladder)trans-149.8115.1161.3173.464.3-171.4-1492.8107.5I96 M97 D115 A124 L125 W132I96-R113 VanDerWaalsContact CG2-NH1 3.32Å; M97-R113 CarbonylContact O-C 3.59Å; M97-R113 WeakPolarHBondContact O-CA 3.39Å; R113-D115 IonicContact CZ-OD1 3.12Å; R113-D115 IonicContact CZ-OD2 3.65Å; R113-D115 IonicContact NE-OD1 2.7Å; R113-D115 PolarHBondContact NE-OD1 3.43Å; R113-D115 IonicContact NE-OD2 3.61Å; R113-D115 IonicContact NH2-OD1 3.08Å; R113-D115 PolarHBondContact NH2-OD1 2.84Å; R113-D115 IonicContact NH2-OD2 3.72Å; R113-D115 PolarHBondContact NH2-OD2 3.28Å; R113-A124 WeakPolarHBondContact O-CA 3.41Å; R113-L125 HydrophobicContact CB-CB 3.88Å; R113-L125 HydrophobicContact CB-CD2 4.23Å; R113-L125 PolarHBondContact O-N 2.9Å; R113-W132 HydrophobicContact CG-CH2 4.03Å; R113-W132 HydrophobicContact CG-CZ3 4.04Å
114Q98.4Very high97.7Very high82 Ų8261.4 Ų61.438%0.38332%0.322SS..EExtended strand (participates in β ladder)trans-138.6130.3-176.2-61.3176.64.400109I96 M97 A124I96-Q114 CarbonylContact C-O 3.54Å; I96-Q114 WeakPolarHBondContact CA-O 3.38Å; M97-Q114 HydrophobicContact CE-CB 4.36Å; M97-Q114 HydrophobicContact CE-CG 4.14Å; M97-Q114 PolarHBondContact N-O 2.91Å; M97-Q114 PolarHBondContact O-N 3.33Å; Q114-A124 HydrophobicContact CG-CB 3.99Å
115D98.6Very high97.9Very high18 Ų1856.3 Ų56.310%0.09629%0.288CS..EExtended strand (participates in β ladder)trans-122.2137-178.4-58.825.2000107.5Q95 I96 R113 Y122 I123Q95-D115 CarbonylContact O-C 3.49Å; Q95-D115 WeakPolarHBondContact O-CA 3.38Å; I96-D115 HydrophobicContact CG1-CB 4.37Å; R113-D115 IonicContact CZ-OD1 3.12Å; R113-D115 IonicContact CZ-OD2 3.65Å; R113-D115 IonicContact NE-OD1 2.7Å; R113-D115 PolarHBondContact NE-OD1 3.43Å; R113-D115 IonicContact NE-OD2 3.61Å; R113-D115 IonicContact NH2-OD1 3.08Å; R113-D115 PolarHBondContact NH2-OD1 2.84Å; R113-D115 IonicContact NH2-OD2 3.72Å; R113-D115 PolarHBondContact NH2-OD2 3.28Å; D115-Y122 WeakPolarHBondContact O-CA 3.3Å; D115-Y122 VanDerWaalsContact O-CB 3.3Å; D115-Y122 WeakPolarHBondContact O-CB 3.34Å; D115-Y122 PolarHBondContact O-N 2.82Å; D115-I123 HydrophobicContact CB-CG2 4.03Å; D115-I123 PolarHBondContact N-O 3.33Å; D115-I123 PolarHBondContact O-N 3.09Å; D115-I123 VanDerWaalsContact O-N 3.09Å
116A98.8Very high98.1Very high19 Ų1954 Ų5416%0.15728%0.275CS..EExtended strand (participates in β ladder)trans-129.1148.7-179.400000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.18Å; Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 3.35Å; Q95-A116 PolarHBondContact O-N 3.42Å; A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.46Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.27Å
117Y98.7Very high98.3Very high11 Ų1159.8 Ų59.84%0.04330%0.298CS..EExtended strand (participates in β ladder)trans-129.1128.5179.4-174.1-119.6000110.4L77 L80 Y84 Q86 H92 T93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.37Å; L80-Y117 HydrophobicContact CB-CD1 4.41Å; L80-Y117 HydrophobicContact CB-CD2 4.16Å; L80-Y117 HydrophobicContact CB-CE1 4.07Å; L80-Y117 HydrophobicContact CB-CE2 3.81Å; L80-Y117 HydrophobicContact CB-CG 4.44Å; L80-Y117 HydrophobicContact CD1-CD2 3.46Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.46Å; L80-Y117 HydrophobicContact CD1-CE2 3.86Å; L80-Y117 HydrophobicContact CD1-CG 3.86Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y117 HydrophobicContact CG-CE2 4.5Å; Y84-Y117 AromaticContact CD2-CD1 3.72Å; Y84-Y117 HydrophobicContact CD2-CD1 3.72Å; Y84-Y117 AromaticContact CD2-CE1 3.52Å; Y84-Y117 HydrophobicContact CD2-CE1 3.52Å; Y84-Y117 AromaticContact CE2-CD1 3.53Å; Y84-Y117 HydrophobicContact CE2-CD1 3.53Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CG 4.49Å; Y84-Y117 HydrophobicContact CG-CE1 4.38Å; Q86-Y117 PolarHBondContact OE1-OH 2.83Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 WeakPolarHBondContact CB-OH 3.47Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 2.82Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.5Å; T93-Y117 VanDerWaalsContact O-CD2 3.25Å; T93-Y117 WeakPolarHBondContact O-CD2 3.25Å; I94-Y117 HydrophobicContact CG1-CD2 3.86Å; I94-Y117 HydrophobicContact CG1-CE2 4.28Å; Y117-G119 PolarHBondContact O-N 2.82Å; Y117-K120 PolarHBondContact N-O 2.91Å; Y117-K120 PolarHBondContact O-N 3.43Å
118D98.1Very high98.3Very high59 Ų5955.5 Ų55.532%0.31629%0.288SS..THydrogen-bonded Turntrans49.540.1-175.8-67.7-20000113.3Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.21Å; H92-D118 WeakPolarHBondContact CA-OD1 3.48Å; H92-D118 IonicContact CE1-OD2 3.64Å; H92-D118 IonicContact CG-OD1 2.97Å; H92-D118 IonicContact CG-OD2 3.32Å; H92-D118 IonicContact ND1-OD1 3.47Å; H92-D118 IonicContact ND1-OD2 2.78Å; H92-D118 PolarHBondContact ND1-OD2 3.13Å; T93-D118 PolarHBondContact N-OD1 2.79Å; T93-D118 PolarHBondContact O-N 2.68Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 2.87Å
119G97.5Very high98.3Very high58 Ų5852.9 Ų52.960%0.59828%0.277SS*.THydrogen-bonded Turntrans75.810.1178.300000115Y117Y117-G119 PolarHBondContact O-N 2.82Å
120K98.4Very high98.3Very high161 Ų16156 Ų5670%0.728%0.281SS*.EExtended strand (participates in β ladder)trans-115.8145.6176-62.2178.6-176.9175.50110.6A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.46Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.27Å; Y117-K120 PolarHBondContact N-O 2.91Å; Y117-K120 PolarHBondContact O-N 3.43Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 2.87Å; K120-Y122 PolarHBondContact O-N 3.34Å
121D98.7Very high98.3Very high129 Ų12953.4 Ų53.469%0.6928%0.277SS*.EExtended strand (participates in β ladder)trans-52.7134.9173.4-65.9-24000110.5A135D121-A135 HydrophobicContact CB-CB 4.23Å; D121-A135 WeakPolarHBondContact O-CB 3.36Å
122Y98.8Very high98.3Very high10 Ų1053.3 Ų53.34%0.03928%0.275CS..EExtended strand (participates in β ladder)trans-114-63.1178.2179.8-109.2000110.4L80 Y84 D115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.34Å; L80-Y122 HydrophobicContact CD2-CE1 3.81Å; L80-Y122 HydrophobicContact CD2-CE2 3.57Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.34Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.07Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.49Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; D115-Y122 WeakPolarHBondContact O-CA 3.3Å; D115-Y122 VanDerWaalsContact O-CB 3.3Å; D115-Y122 WeakPolarHBondContact O-CB 3.34Å; D115-Y122 PolarHBondContact O-N 2.82Å; K120-Y122 PolarHBondContact O-N 3.34Å; Y122-A135 WeakPolarHBondContact O-CB 3.43Å; Y122-A135 PolarHBondContact O-N 2.78Å; Y122-A138 HydrophobicContact CE2-CB 4.49Å; Y122-A138 PolarHBondContact OH-O 2.96Å; Y122-A139 HydrophobicContact CD2-CB 3.76Å; Y122-A139 HydrophobicContact CE1-CB 4.43Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.62Å; Y122-A139 HydrophobicContact CG-CB 4.23Å; Y122-A139 WeakPolarHBondContact O-CB 3.42Å; Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.45Å; Y122-T142 PolarHBondContact OH-OG1 2.89Å
123I98.8Very high98.3Very high4 Ų455.1 Ų55.12%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-148.5142.4178.4-162.8173.3000111.1D115 W132 T133 T142 K143 W146D115-I123 HydrophobicContact CB-CG2 4.03Å; D115-I123 PolarHBondContact N-O 3.33Å; D115-I123 PolarHBondContact O-N 3.09Å; D115-I123 VanDerWaalsContact O-N 3.09Å; I123-W132 HydrophobicContact CD1-CB 4.14Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.28Å; I123-W132 HydrophobicContact CD1-CG 4.44Å; I123-W132 HydrophobicContact CG1-CB 4.27Å; I123-W132 HydrophobicContact CG1-CE3 4.12Å; I123-T133 CarbonylContact C-O 3.55Å; I123-T133 WeakPolarHBondContact CA-O 3.25Å; I123-T133 WeakPolarHBondContact CG1-O 3.31Å; I123-T142 HydrophobicContact CD1-CG2 4.11Å; I123-K143 HydrophobicContact CD1-CB 3.86Å; I123-W146 HydrophobicContact CD1-CE3 4.12Å; I123-W146 HydrophobicContact CD1-CZ3 4.4Å; I123-W146 HydrophobicContact CG2-CH2 4.17Å; I123-W146 HydrophobicContact CG2-CZ3 3.86Å
124A98.8Very high98.4Very high28 Ų2855 Ų5523%0.23129%0.293CS..EExtended strand (participates in β ladder)trans-134139.3-18000000111.7R113 Q114 W132 T133R113-A124 WeakPolarHBondContact O-CA 3.41Å; Q114-A124 HydrophobicContact CG-CB 3.99Å; A124-W132 CarbonylContact O-C 3.53Å; A124-W132 WeakPolarHBondContact O-CA 3.42Å; A124-T133 PolarHBondContact N-O 2.81Å; A124-T133 PolarHBondContact O-N 3.09Å
125L98.8Very high98.4Very high12 Ų1253.9 Ų53.96%0.06330%0.298CS..EExtended strand (participates in β ladder)trans-73.6127.9168.5-174.664.6000108.6R113 L129 W132 A152 Q155 L159R113-L125 HydrophobicContact CB-CB 3.88Å; R113-L125 HydrophobicContact CB-CD2 4.23Å; R113-L125 PolarHBondContact O-N 2.9Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.71Å; L125-L129 HydrophobicContact CG-CD2 4.21Å; L125-W132 HydrophobicContact CB-CE3 3.93Å; L125-W132 HydrophobicContact CB-CH2 4Å; L125-W132 HydrophobicContact CB-CZ3 3.58Å; L125-W132 HydrophobicContact CD1-CD2 4.06Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.85Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-W132 HydrophobicContact CG-CH2 4.46Å; L125-W132 HydrophobicContact CG-CZ3 4.44Å; L125-A152 HydrophobicContact CD1-CB 4.02Å; L125-Q155 HydrophobicContact CD2-CB 3.97Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å
126N98.6Very high98.3Very high45 Ų4555.7 Ų55.724%0.24131%0.308CS..  trans-71.9163.4179.8-68.4-30.6000111.4D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.04Å; N126-D128 VanDerWaalsContact O-N 3.09Å; N126-L129 PolarHBondContact O-N 3.12Å; N126-S131 WeakPolarHBondContact CB-O 3.23Å; N126-S131 WeakPolarHBondContact CB-OG 3.47Å; N126-S131 PolarHBondContact N-O 2.95Å; N126-S131 PolarHBondContact ND2-O 3.24Å; N126-S131 PolarHBondContact ND2-OG 3.48Å; N126-T133 PolarHBondContact ND2-OG1 2.88Å; N126-T133 WeakPolarHBondContact OD1-CB 3.45Å; N126-T133 PolarHBondContact OD1-OG1 2.95Å
127E97.6Very high98.3Very high138 Ų13862 Ų6265%0.64534%0.335SS*.THydrogen-bonded Turntrans-59.6-22.7-179.4-61.9-174.6-175.900113.5R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.42Å; R110-E127 IonicContact CZ-OE1 3.17Å; R110-E127 IonicContact NH1-OE1 3.55Å; R110-E127 PolarHBondContact NH1-OE1 2.83Å; R110-E127 IonicContact NH1-OE2 3.43Å; R110-E127 VanDerWaalsContact NH2-CD 3.3Å; R110-E127 VanDerWaalsContact NH2-CG 3.34Å; R110-E127 IonicContact NH2-OE1 3.11Å; R110-E127 PolarHBondContact NH2-OE1 3.3Å; E127-L129 PolarHBondContact O-N 2.84Å
128D97.6Very high98.2Very high77 Ų7762 Ų6241%0.41234%0.338SS..THydrogen-bonded Turntrans-71.8-9.6174.769.55.9000113.9N126 R130 S131N126-D128 PolarHBondContact O-N 3.04Å; N126-D128 VanDerWaalsContact O-N 3.09Å; D128-R130 WeakPolarHBondContact O-CG 3.41Å; D128-R130 PolarHBondContact O-N 3.25Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.05Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 2.88Å; D128-S131 PolarHBondContact OD1-OG 2.87Å; D128-S131 VanDerWaalsContact OD1-OG 3.13Å; D128-S131 PolarHBondContact OD2-OG 3.17Å
129L98.1Very high98.2Very high6 Ų659.1 Ų59.13%0.03132%0.323CS..SBendtrans53.126.9-174.9-52.2178.3000114.1F108 L125 N126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.05Å; F108-L129 HydrophobicContact CZ-CD1 3.72Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.71Å; L125-L129 HydrophobicContact CG-CD2 4.21Å; N126-L129 PolarHBondContact O-N 3.12Å; E127-L129 PolarHBondContact O-N 2.84Å; L129-R156 HydrophobicContact CB-CB 4.03Å; L129-R156 HydrophobicContact CB-CG 3.86Å; L129-R156 HydrophobicContact CD1-CG 4.08Å; L129-L159 HydrophobicContact CD2-CD1 4.11Å; L129-E160 HydrophobicContact CD1-CG 3.96Å
130R97.6Very high98.3Very high169 Ų16959.1 Ų59.164%0.63831%0.307SS*.SBendtrans-130.7-30.8-175-71.4169.1-175-1059.4112.3D128 A152D128-R130 WeakPolarHBondContact O-CG 3.41Å; D128-R130 PolarHBondContact O-N 3.25Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.05Å; R130-A152 WeakPolarHBondContact O-CB 3.33Å
131S97.9Very high98.3Very high36 Ų3654.4 Ų54.425%0.25229%0.289SS..  trans-118158.3-176.664.40000112.1N126 D128N126-S131 WeakPolarHBondContact CB-O 3.23Å; N126-S131 WeakPolarHBondContact CB-OG 3.47Å; N126-S131 PolarHBondContact N-O 2.95Å; N126-S131 PolarHBondContact ND2-O 3.24Å; N126-S131 PolarHBondContact ND2-OG 3.48Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 2.88Å; D128-S131 PolarHBondContact OD1-OG 2.87Å; D128-S131 VanDerWaalsContact OD1-OG 3.13Å; D128-S131 PolarHBondContact OD2-OG 3.17Å
132W98.7Very high98.3Very high2 Ų249.1 Ų49.11%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-116.8141.5-178.7-61.192.3000111.4R113 I123 A124 L125 K143 W146 A151 A152 Q155R113-W132 HydrophobicContact CG-CH2 4.03Å; R113-W132 HydrophobicContact CG-CZ3 4.04Å; I123-W132 HydrophobicContact CD1-CB 4.14Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.28Å; I123-W132 HydrophobicContact CD1-CG 4.44Å; I123-W132 HydrophobicContact CG1-CB 4.27Å; I123-W132 HydrophobicContact CG1-CE3 4.12Å; A124-W132 CarbonylContact O-C 3.53Å; A124-W132 WeakPolarHBondContact O-CA 3.42Å; L125-W132 HydrophobicContact CB-CE3 3.93Å; L125-W132 HydrophobicContact CB-CH2 4Å; L125-W132 HydrophobicContact CB-CZ3 3.58Å; L125-W132 HydrophobicContact CD1-CD2 4.06Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.85Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-W132 HydrophobicContact CG-CH2 4.46Å; L125-W132 HydrophobicContact CG-CZ3 4.44Å; W132-K143 HydrophobicContact CB-CD 4.31Å; W132-K143 HydrophobicContact CB-CG 4.14Å; W132-K143 WeakPolarHBondContact O-CE 3.26Å; W132-K143 PolarHBondContact O-NZ 2.85Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.72Å; W132-W146 AromaticContact CE3-CE3 3.78Å; W132-W146 HydrophobicContact CE3-CE3 3.78Å; W132-W146 AromaticContact CE3-CZ3 3.83Å; W132-W146 HydrophobicContact CE3-CZ3 3.83Å; W132-W146 AromaticContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CE3 3.45Å; W132-W146 VanDerWaalsContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CH2 4.48Å; W132-W146 AromaticContact CH2-CZ3 3.35Å; W132-W146 HydrophobicContact CH2-CZ3 3.35Å; W132-W146 HydrophobicContact CZ2-CD2 4.48Å; W132-W146 AromaticContact CZ2-CE3 3.52Å; W132-W146 HydrophobicContact CZ2-CE3 3.52Å; W132-W146 AromaticContact CZ2-CZ3 3.95Å; W132-W146 HydrophobicContact CZ2-CZ3 3.95Å; W132-W146 AromaticContact CZ3-CE3 3.6Å; W132-W146 HydrophobicContact CZ3-CE3 3.6Å; W132-W146 AromaticContact CZ3-CZ3 3.29Å; W132-W146 HydrophobicContact CZ3-CZ3 3.29Å; W132-A151 HydrophobicContact CZ2-CB 4.37Å; W132-A152 HydrophobicContact CZ2-CB 4.37Å; W132-Q155 HydrophobicContact CH2-CG 4.14Å; W132-Q155 HydrophobicContact CZ2-CG 4.31Å
133T98.7Very high98.3Very high75 Ų7550.7 Ų50.746%0.4627%0.268SS..EExtended strand (participates in β ladder)trans-104.8121.8168.4-66.30000109I123 A124 N126I123-T133 CarbonylContact C-O 3.55Å; I123-T133 WeakPolarHBondContact CA-O 3.25Å; I123-T133 WeakPolarHBondContact CG1-O 3.31Å; A124-T133 PolarHBondContact N-O 2.81Å; A124-T133 PolarHBondContact O-N 3.09Å; N126-T133 PolarHBondContact ND2-OG1 2.88Å; N126-T133 WeakPolarHBondContact OD1-CB 3.45Å; N126-T133 PolarHBondContact OD1-OG1 2.95Å
134A98.6Very high98.3Very high15 Ų1557.8 Ų57.812%0.12430%0.295CS..EExtended strand (participates in β ladder)trans-102.5133.3177.100000109.3A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.67Å; A134-Q140 HydrophobicContact CB-CG 4.26Å; A134-K143 HydrophobicContact CB-CB 4.25Å; A134-K143 HydrophobicContact CB-CD 4.18Å
135A98.4Very high98.2Very high59 Ų5962.1 Ų62.149%0.48831%0.308SS..SBendtrans-75.3-31.5-174.400000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.23Å; D121-A135 WeakPolarHBondContact O-CB 3.36Å; Y122-A135 WeakPolarHBondContact O-CB 3.43Å; Y122-A135 PolarHBondContact O-N 2.78Å
136D98.1Very high98.2Very high57 Ų5764.6 Ų64.631%0.30532%0.317SS..SBendtrans-148.5-175.6-178.568.229.2000113.1Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.25Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.87Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 2.92Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 3.1Å; D136-A138 WeakPolarHBondContact OD1-CA 3.31Å; D136-A138 WeakPolarHBondContact OD1-CB 3.49Å; D136-A138 PolarHBondContact OD1-N 2.98Å; D136-A139 PolarHBondContact O-N 3.19Å; D136-A139 PolarHBondContact OD1-N 3.2Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 2.82Å; D136-Q140 VanDerWaalsContact O-N 3.09Å
137M97.6Very high98.2Very high150 Ų15066.6 Ų66.674%0.73933%0.325SS*.THydrogen-bonded Turntrans-65.7-29-178.5-68.6-59.1-63.300114.1
138A97.6Very high98.2Very high11 Ų1164 Ų649%0.09133%0.326CS..THydrogen-bonded Turntrans-72.4-44.4175.400000109.9Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.16Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.6Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.44Å; Y122-A138 HydrophobicContact CE2-CB 4.49Å; Y122-A138 PolarHBondContact OH-O 2.96Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 3.1Å; D136-A138 WeakPolarHBondContact OD1-CA 3.31Å; D136-A138 WeakPolarHBondContact OD1-CB 3.49Å; D136-A138 PolarHBondContact OD1-N 2.98Å; A138-Q140 PolarHBondContact O-N 3.14Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.5Å; A138-I141 WeakPolarHBondContact O-CG1 3.29Å; A138-I141 PolarHBondContact O-N 3.17Å
139A98.4Very high98.2Very high0 Ų063.3 Ų63.30%033%0.332CS..Hα-helixtrans-60.4-29.5174.800000113.5Y122 A134 D136 I141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.76Å; Y122-A139 HydrophobicContact CE1-CB 4.43Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.62Å; Y122-A139 HydrophobicContact CG-CB 4.23Å; Y122-A139 WeakPolarHBondContact O-CB 3.42Å; A134-A139 HydrophobicContact CB-CB 3.67Å; D136-A139 PolarHBondContact O-N 3.19Å; D136-A139 PolarHBondContact OD1-N 3.2Å; A139-I141 PolarHBondContact O-N 3.32Å; A139-T142 PolarHBondContact O-N 2.83Å; A139-K143 PolarHBondContact O-N 2.88Å
140Q98.6Very high98.2Very high57 Ų5768.2 Ų68.227%0.26635%0.354SS..Hα-helixtrans-59.7-29.3172.5-68.2-68.4-20.400112.7A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 4.26Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 2.82Å; D136-Q140 VanDerWaalsContact O-N 3.09Å; A138-Q140 PolarHBondContact O-N 3.14Å; Q140-R144 VanDerWaalsContact O-CG 3.31Å; Q140-R144 WeakPolarHBondContact O-CG 3.42Å; Q140-R144 PolarHBondContact O-N 2.95Å; Q140-R144 VanDerWaalsContact O-N 3.12Å
141I98.3Very high98.2Very high62 Ų6261 Ų6132%0.31833%0.33SS..Hα-helixtrans-66.8-48176-55.9172.1000109.6Y83 A138 A139 R144 K145Y83-I141 HydrophobicContact CD1-CD1 4.3Å; Y83-I141 HydrophobicContact CD2-CB 4.46Å; Y83-I141 HydrophobicContact CD2-CD1 4.3Å; Y83-I141 HydrophobicContact CE1-CD1 4.48Å; Y83-I141 HydrophobicContact CE1-CG2 4.36Å; Y83-I141 HydrophobicContact CE2-CB 4.02Å; Y83-I141 HydrophobicContact CE2-CD1 4.47Å; Y83-I141 HydrophobicContact CE2-CG2 3.86Å; Y83-I141 HydrophobicContact CG-CD1 4.22Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.5Å; A138-I141 WeakPolarHBondContact O-CG1 3.29Å; A138-I141 PolarHBondContact O-N 3.17Å; A139-I141 PolarHBondContact O-N 3.32Å; I141-R144 PolarHBondContact O-N 2.86Å; I141-K145 WeakPolarHBondContact O-CG 3.35Å; I141-K145 PolarHBondContact O-N 3.15Å
142T98.3Very high98.2Very high18 Ų1859.6 Ų59.611%0.1132%0.321CS..Hα-helixtrans-62.1-45.5175.4-67.50000111.2Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.45Å; Y122-T142 PolarHBondContact OH-OG1 2.89Å; I123-T142 HydrophobicContact CD1-CG2 4.11Å; A139-T142 PolarHBondContact O-N 2.83Å; T142-R144 PolarHBondContact O-N 2.99Å; T142-K145 WeakPolarHBondContact O-CB 3.18Å; T142-K145 PolarHBondContact O-N 2.85Å; T142-K145 VanDerWaalsContact O-N 3.11Å; T142-W146 HydrophobicContact CG2-CD2 3.83Å; T142-W146 HydrophobicContact CG2-CE3 4.35Å; T142-W146 HydrophobicContact CG2-CG 4.12Å; T142-W146 HydrophobicContact CG2-CZ2 4.03Å; T142-W146 PolarHBondContact O-N 2.62Å
143K98.7Very high98.2Very high44 Ų4465.5 Ų65.519%0.19135%0.349CS..Hα-helixtrans-51.7-52.2177.5175170.8175.4171.70112I123 W132 A134 A139 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.86Å; W132-K143 HydrophobicContact CB-CD 4.31Å; W132-K143 HydrophobicContact CB-CG 4.14Å; W132-K143 WeakPolarHBondContact O-CE 3.26Å; W132-K143 PolarHBondContact O-NZ 2.85Å; A134-K143 HydrophobicContact CB-CB 4.25Å; A134-K143 HydrophobicContact CB-CD 4.18Å; A139-K143 PolarHBondContact O-N 2.88Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 3.46Å; K143-W146 PolarHBondContact O-N 3.35Å; K143-E147 WeakPolarHBondContact CE-OE1 3.44Å; K143-E147 HydrophobicContact CG-CG 4.35Å; K143-E147 IonicContact NZ-OE1 3.95Å; K143-E147 WeakPolarHBondContact O-CB 3.45Å; K143-E147 WeakPolarHBondContact O-CG 3.34Å; K143-E147 PolarHBondContact O-N 3.37Å
144R98.6Very high98Very high153 Ų15368.5 Ų68.558%0.57736%0.358SS*.Hα-helixtrans-60.6-39.9179.7-69.4169.7-169.1160.34.2112.5Q140 I141 T142 A148Q140-R144 VanDerWaalsContact O-CG 3.31Å; Q140-R144 WeakPolarHBondContact O-CG 3.42Å; Q140-R144 PolarHBondContact O-N 2.95Å; Q140-R144 VanDerWaalsContact O-N 3.12Å; I141-R144 PolarHBondContact O-N 2.86Å; T142-R144 PolarHBondContact O-N 2.99Å; R144-A148 WeakPolarHBondContact O-CB 3.33Å; R144-A148 PolarHBondContact O-N 3.18Å
145K98.1Very high98Very high119 Ų11970.1 Ų70.152%0.51736%0.362SS..Hα-helixtrans-64.8-44.8176.8-72.5178172.6-174.60111.6Y83 I141 T142 K143 A148 A149Y83-K145 PolarHBondContact OH-NZ 2.82Å; I141-K145 WeakPolarHBondContact O-CG 3.35Å; I141-K145 PolarHBondContact O-N 3.15Å; T142-K145 WeakPolarHBondContact O-CB 3.18Å; T142-K145 PolarHBondContact O-N 2.85Å; T142-K145 VanDerWaalsContact O-N 3.11Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 3.46Å; K145-A148 PolarHBondContact O-N 3.16Å; K145-A149 VanDerWaalsContact O-CB 3.29Å; K145-A149 WeakPolarHBondContact O-CB 3.41Å; K145-A149 PolarHBondContact O-N 3.49Å
146W98.3Very high98Very high64 Ų6470.8 Ų70.824%0.24235%0.352CS..Hα-helixtrans-69.2-37.2-179.6-77.512.5000112.5I123 W132 T142 K143 A149 H150 A151I123-W146 HydrophobicContact CD1-CE3 4.12Å; I123-W146 HydrophobicContact CD1-CZ3 4.4Å; I123-W146 HydrophobicContact CG2-CH2 4.17Å; I123-W146 HydrophobicContact CG2-CZ3 3.86Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.72Å; W132-W146 AromaticContact CE3-CE3 3.78Å; W132-W146 HydrophobicContact CE3-CE3 3.78Å; W132-W146 AromaticContact CE3-CZ3 3.83Å; W132-W146 HydrophobicContact CE3-CZ3 3.83Å; W132-W146 AromaticContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CE3 3.45Å; W132-W146 VanDerWaalsContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CH2 4.48Å; W132-W146 AromaticContact CH2-CZ3 3.35Å; W132-W146 HydrophobicContact CH2-CZ3 3.35Å; W132-W146 HydrophobicContact CZ2-CD2 4.48Å; W132-W146 AromaticContact CZ2-CE3 3.52Å; W132-W146 HydrophobicContact CZ2-CE3 3.52Å; W132-W146 AromaticContact CZ2-CZ3 3.95Å; W132-W146 HydrophobicContact CZ2-CZ3 3.95Å; W132-W146 AromaticContact CZ3-CE3 3.6Å; W132-W146 HydrophobicContact CZ3-CE3 3.6Å; W132-W146 AromaticContact CZ3-CZ3 3.29Å; W132-W146 HydrophobicContact CZ3-CZ3 3.29Å; T142-W146 HydrophobicContact CG2-CD2 3.83Å; T142-W146 HydrophobicContact CG2-CE3 4.35Å; T142-W146 HydrophobicContact CG2-CG 4.12Å; T142-W146 HydrophobicContact CG2-CZ2 4.03Å; T142-W146 PolarHBondContact O-N 2.62Å; K143-W146 PolarHBondContact O-N 3.35Å; W146-A149 CarbonylContact O-C 3.53Å; W146-A149 PolarHBondContact O-N 2.85Å; W146-H150 PolarHBondContact O-N 3.36Å; W146-H150 VanDerWaalsContact O-N 3.08Å; W146-A151 HydrophobicContact CB-CB 3.85Å; W146-A151 HydrophobicContact CD2-CB 4.46Å; W146-A151 HydrophobicContact CG-CB 4.05Å; W146-A151 WeakPolarHBondContact O-CB 3.39Å; W146-A151 PolarHBondContact O-N 2.86Å
147E98.4Very high98Very high87 Ų8771.2 Ų71.241%0.40736%0.364SS..Hα-helixtrans-64.2-47.4172.3-73.7173.816200111.3K143 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.44Å; K143-E147 HydrophobicContact CG-CG 4.35Å; K143-E147 IonicContact NZ-OE1 3.95Å; K143-E147 WeakPolarHBondContact O-CB 3.45Å; K143-E147 WeakPolarHBondContact O-CG 3.34Å; K143-E147 PolarHBondContact O-N 3.37Å; E147-A149 PolarHBondContact O-N 3.36Å; E147-H150 PolarHBondContact O-N 3.07Å
148A98.3Very high98Very high82 Ų8265.8 Ų65.868%0.67834%0.336SS*.Hα-helixtrans-62.6-29.6176.400000113.1R144 K145R144-A148 WeakPolarHBondContact O-CB 3.33Å; R144-A148 PolarHBondContact O-N 3.18Å; K145-A148 PolarHBondContact O-N 3.16Å
149A97.9Very high98.1Very high63 Ų6365.2 Ų65.252%0.52133%0.331SS..THydrogen-bonded Turntrans-90.13.5176.900000113.8K145 W146 E147 A151K145-A149 VanDerWaalsContact O-CB 3.29Å; K145-A149 WeakPolarHBondContact O-CB 3.41Å; K145-A149 PolarHBondContact O-N 3.49Å; W146-A149 CarbonylContact O-C 3.53Å; W146-A149 PolarHBondContact O-N 2.85Å; E147-A149 PolarHBondContact O-N 3.36Å; A149-A151 PolarHBondContact O-N 3.01Å
150H97.3Very high98.1Very high110 Ų11068.9 Ų68.951%0.50935%0.348SS..THydrogen-bonded Turntrans53.733.5-176.5-63.3-95.4000113.7W146 E147 A152 E153W146-H150 PolarHBondContact O-N 3.36Å; W146-H150 VanDerWaalsContact O-N 3.08Å; E147-H150 PolarHBondContact O-N 3.07Å; H150-A152 PolarHBondContact O-N 2.86Å; H150-A152 VanDerWaalsContact O-N 3.16Å; H150-E153 HydrophobicContact CB-CG 4.38Å; H150-E153 IonicContact CE1-OE1 2.84Å; H150-E153 IonicContact CG-OE1 3.44Å; H150-E153 IonicContact ND1-OE1 3.13Å; H150-E153 PolarHBondContact ND1-OE1 3.11Å; H150-E153 WeakPolarHBondContact O-CB 3.28Å; H150-E153 PolarHBondContact O-N 3.18Å
151A97.6Very high98Very high16 Ų1667.2 Ų67.213%0.13235%0.347CS..Hα-helixtrans-60.4-31.2-173.500000113W132 W146 A149 E153 Q154 Q155W132-A151 HydrophobicContact CZ2-CB 4.37Å; W146-A151 HydrophobicContact CB-CB 3.85Å; W146-A151 HydrophobicContact CD2-CB 4.46Å; W146-A151 HydrophobicContact CG-CB 4.05Å; W146-A151 WeakPolarHBondContact O-CB 3.39Å; W146-A151 PolarHBondContact O-N 2.86Å; A149-A151 PolarHBondContact O-N 3.01Å; A151-E153 VanDerWaalsContact C-N 3.27Å; A151-E153 PolarHBondContact O-N 2.9Å; A151-Q154 PolarHBondContact O-N 3.26Å; A151-Q155 WeakPolarHBondContact O-CG 3.09Å; A151-Q155 PolarHBondContact O-N 3.35Å; A151-Q155 VanDerWaalsContact O-N 3.11Å
152A98.2Very high98Very high7 Ų771.2 Ų71.26%0.05836%0.358CS..Hα-helixtrans-60.3-35.8176.300000112.5L125 R130 W132 H150 Q154 Q155 R156L125-A152 HydrophobicContact CD1-CB 4.02Å; R130-A152 WeakPolarHBondContact O-CB 3.33Å; W132-A152 HydrophobicContact CZ2-CB 4.37Å; H150-A152 PolarHBondContact O-N 2.86Å; H150-A152 VanDerWaalsContact O-N 3.16Å; A152-Q154 PolarHBondContact O-N 3.45Å; A152-Q155 PolarHBondContact O-N 2.87Å; A152-R156 VanDerWaalsContact O-CB 3.23Å; A152-R156 WeakPolarHBondContact O-CB 3.45Å; A152-R156 PolarHBondContact O-N 3.22Å
153E97.8Very high98Very high127 Ų12770.3 Ų70.359%0.59335%0.352SS*.Hα-helixtrans-65.7-40.3-180-63.6176-159.600111.4H150 A151 A157H150-E153 HydrophobicContact CB-CG 4.38Å; H150-E153 IonicContact CE1-OE1 2.84Å; H150-E153 IonicContact CG-OE1 3.44Å; H150-E153 IonicContact ND1-OE1 3.13Å; H150-E153 PolarHBondContact ND1-OE1 3.11Å; H150-E153 WeakPolarHBondContact O-CB 3.28Å; H150-E153 PolarHBondContact O-N 3.18Å; A151-E153 VanDerWaalsContact C-N 3.27Å; A151-E153 PolarHBondContact O-N 2.9Å; E153-A157 WeakPolarHBondContact O-CB 3.29Å; E153-A157 PolarHBondContact O-N 3.36Å
154Q95.9Very high98Very high138 Ų13868.5 Ų68.565%0.64535%0.345SS*.Hα-helixtrans-66.5-43.8175.9-63.8-178.7-300111.7A151 A152 A157 Y158A151-Q154 PolarHBondContact O-N 3.26Å; A152-Q154 PolarHBondContact O-N 3.45Å; Q154-A157 PolarHBondContact O-N 2.72Å; Q154-Y158 PolarHBondContact O-N 3.07Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å
155Q97.8Very high98Very high48 Ų4867.1 Ų67.122%0.22435%0.345CS..Hα-helixtrans-62.3-46.8176.5-65.8-56.1-34.700110.8L125 W132 A151 A152 A157 Y158 L159L125-Q155 HydrophobicContact CD2-CB 3.97Å; W132-Q155 HydrophobicContact CH2-CG 4.14Å; W132-Q155 HydrophobicContact CZ2-CG 4.31Å; A151-Q155 WeakPolarHBondContact O-CG 3.09Å; A151-Q155 PolarHBondContact O-N 3.35Å; A151-Q155 VanDerWaalsContact O-N 3.11Å; A152-Q155 PolarHBondContact O-N 2.87Å; Q155-A157 PolarHBondContact O-N 3.31Å; Q155-Y158 PolarHBondContact O-N 3.49Å; Q155-L159 HydrophobicContact CB-CD1 4.49Å; Q155-L159 WeakPolarHBondContact O-CB 3.24Å; Q155-L159 WeakPolarHBondContact O-CG 3.35Å; Q155-L159 PolarHBondContact O-N 2.82Å
156R98.3Very high98Very high73 Ų7364.8 Ų64.828%0.27533%0.333SS..Hα-helixtrans-58.3-46.4177.1-175.4173.9178.8-132.7-17.6112.3L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.03Å; L129-R156 HydrophobicContact CB-CG 3.86Å; L129-R156 HydrophobicContact CD1-CG 4.08Å; A152-R156 VanDerWaalsContact O-CB 3.23Å; A152-R156 WeakPolarHBondContact O-CB 3.45Å; A152-R156 PolarHBondContact O-N 3.22Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 2.82Å; R156-L159 PolarHBondContact O-N 2.81Å; R156-E160 HydrophobicContact CG-CG 4.11Å; R156-E160 IonicContact CZ-OE1 3.36Å; R156-E160 IonicContact CZ-OE2 2.72Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 3.63Å; R156-E160 PolarHBondContact NE-OE1 2.71Å; R156-E160 IonicContact NE-OE2 3.7Å; R156-E160 PolarHBondContact NE-OE2 2.91Å; R156-E160 IonicContact NH2-OE1 3.31Å; R156-E160 PolarHBondContact NH2-OE1 2.97Å; R156-E160 VanDerWaalsContact NH2-OE1 3.17Å; R156-E160 IonicContact NH2-OE2 3.66Å; R156-E160 PolarHBondContact NH2-OE2 2.7Å; R156-E160 VanDerWaalsContact NH2-OE2 3.11Å; R156-E160 WeakPolarHBondContact O-CB 3.39Å; R156-E160 PolarHBondContact O-N 3.25Å
157A98.2Very high98Very high67 Ų6761.8 Ų61.855%0.55432%0.322SS*.Hα-helixtrans-60.6-37.2178.200000112.6E153 Q154 Q155 G161E153-A157 WeakPolarHBondContact O-CB 3.29Å; E153-A157 PolarHBondContact O-N 3.36Å; Q154-A157 PolarHBondContact O-N 2.72Å; Q155-A157 PolarHBondContact O-N 3.31Å; A157-G161 PolarHBondContact O-N 3.33Å
158Y97.9Very high97.9Very high35 Ų3563.1 Ų63.114%0.13732%0.323CS..Iπ-helixtrans-69.7-48.7173.2171.5-98.4000112.2Y98 Q154 Q155 R156 G161 R162 C163Y98-Y158 AromaticContact CD2-CE1 3.79Å; Y98-Y158 HydrophobicContact CD2-CE1 3.79Å; Y98-Y158 AromaticContact CE2-CE1 3.69Å; Y98-Y158 HydrophobicContact CE2-CE1 3.69Å; Y98-Y158 AromaticContact CE2-CZ 3.98Å; Q154-Y158 PolarHBondContact O-N 3.07Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å; Q155-Y158 PolarHBondContact O-N 3.49Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 2.82Å; Y158-G161 CarbonylContact O-C 3.56Å; Y158-G161 PolarHBondContact O-N 3.02Å; Y158-R162 HydrophobicContact CD2-CB 3.86Å; Y158-R162 HydrophobicContact CE2-CB 4.12Å; Y158-R162 PolarHBondContact O-N 2.9Å; Y158-R162 VanDerWaalsContact O-N 3.12Å; Y158-C163 HydrophobicContact CD1-CB 4.31Å; Y158-C163 HydrophobicContact CE1-CB 3.89Å; Y158-C163 WeakPolarHBondContact O-CB 3.22Å; Y158-C163 PolarHBondContact O-N 3.35Å
159L98.6Very high97.9Very high0 Ų065.1 Ų65.10%031%0.313CS..Iπ-helixtrans-68.3-42.9-172.9-69.3172.3000112.8G99 F108 L125 L129 Q155 R156G99-L159 VanDerWaalsContact O-CD2 3.24Å; G99-L159 WeakPolarHBondContact O-CD2 3.23Å; F108-L159 WeakPolarHBondContact CE2-O 3.39Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å; L129-L159 HydrophobicContact CD2-CD1 4.11Å; Q155-L159 HydrophobicContact CB-CD1 4.49Å; Q155-L159 WeakPolarHBondContact O-CB 3.24Å; Q155-L159 WeakPolarHBondContact O-CG 3.35Å; Q155-L159 PolarHBondContact O-N 2.82Å; R156-L159 PolarHBondContact O-N 2.81Å
160E98.3Very high97.9Very high76 Ų7662.1 Ų62.136%0.35529%0.288SS..Iπ-helixtrans-78.3-23.6178.3-67.4-177.3176.300112.6F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.12Å; F108-E160 HydrophobicContact CE1-CG 3.88Å; F108-E160 HydrophobicContact CE2-CG 4.34Å; F108-E160 HydrophobicContact CG-CG 4.46Å; F108-E160 HydrophobicContact CZ-CG 3.99Å; L129-E160 HydrophobicContact CD1-CG 3.96Å; R156-E160 HydrophobicContact CG-CG 4.11Å; R156-E160 IonicContact CZ-OE1 3.36Å; R156-E160 IonicContact CZ-OE2 2.72Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 3.63Å; R156-E160 PolarHBondContact NE-OE1 2.71Å; R156-E160 IonicContact NE-OE2 3.7Å; R156-E160 PolarHBondContact NE-OE2 2.91Å; R156-E160 IonicContact NH2-OE1 3.31Å; R156-E160 PolarHBondContact NH2-OE1 2.97Å; R156-E160 VanDerWaalsContact NH2-OE1 3.17Å; R156-E160 IonicContact NH2-OE2 3.66Å; R156-E160 PolarHBondContact NH2-OE2 2.7Å; R156-E160 VanDerWaalsContact NH2-OE2 3.11Å; R156-E160 WeakPolarHBondContact O-CB 3.39Å; R156-E160 PolarHBondContact O-N 3.25Å
161G98Very high97.9Very high23 Ų2357.6 Ų57.624%0.23727%0.268CS..Iπ-helixtrans-107.5-94-176.400000112.8A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.33Å; Y158-G161 CarbonylContact O-C 3.56Å; Y158-G161 PolarHBondContact O-N 3.02Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 2.71Å; G161-V164 WeakPolarHBondContact O-CB 3.35Å; G161-V164 PolarHBondContact O-N 2.81Å; G161-E165 PolarHBondContact O-N 2.85Å
162R97.6Very high97.8Very high145 Ų14562.8 Ų62.855%0.54729%0.289SS..Iπ-helixtrans-55-39.1-170.6-70.3-168.9-68.2164.11.1113.6Y158 V164 E165 W166Y158-R162 HydrophobicContact CD2-CB 3.86Å; Y158-R162 HydrophobicContact CE2-CB 4.12Å; Y158-R162 PolarHBondContact O-N 2.9Å; Y158-R162 VanDerWaalsContact O-N 3.12Å; R162-V164 PolarHBondContact O-N 2.84Å; R162-E165 PolarHBondContact O-N 2.86Å; R162-W166 WeakPolarHBondContact O-CB 3.36Å; R162-W166 PolarHBondContact O-N 3Å
163C98.5Very high97.8Very high0 Ų064.8 Ų64.80%030%0.299CS..Hα-helixtrans-60.6-46.3178.4-176.20000111.3M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.17Å; M4-C163 VanDerWaalsContact CE-O 3.28Å; M4-C163 WeakPolarHBondContact CE-O 3.48Å; M4-C163 WeakPolarHBondContact CE-SG 3.48Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.44Å; C100-C163 PolarHBondContact N-SG 3.02Å; C100-C163 WeakPolarHBondContact SG-CB 3.34Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.13Å; Y158-C163 HydrophobicContact CD1-CB 4.31Å; Y158-C163 HydrophobicContact CE1-CB 3.89Å; Y158-C163 WeakPolarHBondContact O-CB 3.22Å; Y158-C163 PolarHBondContact O-N 3.35Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 2.71Å; C163-W166 PolarHBondContact O-N 2.74Å; C163-L167 WeakPolarHBondContact O-CB 3.47Å; C163-L167 PolarHBondContact O-N 2.87Å
164V98.6Very high97.7Very high6 Ų658.9 Ų58.94%0.03627%0.272CS..Hα-helixtrans-66-41.4178.5174.50000111.3V102 F108 G161 R162 L167 R168V102-V164 HydrophobicContact CG1-CB 4.38Å; V102-V164 HydrophobicContact CG1-CG1 3.88Å; V102-V164 HydrophobicContact CG1-CG2 4.05Å; F108-V164 HydrophobicContact CB-CG2 3.99Å; F108-V164 HydrophobicContact CD2-CG2 3.63Å; F108-V164 HydrophobicContact CG-CG2 4.29Å; G161-V164 WeakPolarHBondContact O-CB 3.35Å; G161-V164 PolarHBondContact O-N 2.81Å; R162-V164 PolarHBondContact O-N 2.84Å; V164-L167 PolarHBondContact O-N 3.08Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.26Å; V164-R168 PolarHBondContact O-N 2.85Å
165E98.2Very high97.6Very high123 Ų12357.5 Ų57.558%0.57526%0.264SS*.Hα-helixtrans-60.4-47.9177-69.7172.7174.200111.8G161 R162 R168 R169G161-E165 PolarHBondContact O-N 2.85Å; R162-E165 PolarHBondContact O-N 2.86Å; E165-R168 PolarHBondContact O-N 2.86Å; E165-R169 PolarHBondContact O-N 2.81Å; E165-R169 VanDerWaalsContact O-N 3.09Å
166W98Very high97.4Very high71 Ų7163.8 Ų63.827%0.26929%0.293SS..Hα-helixtrans-65.1-45177-81.5116.5000112.3M4 Y58 R162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 3.99Å; M4-W166 HydrophobicContact SD-CB 4.33Å; Y58-W166 AromaticContact CD2-CH2 3.48Å; Y58-W166 HydrophobicContact CD2-CH2 3.48Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.48Å; Y58-W166 HydrophobicContact CD2-CZ2 4.04Å; Y58-W166 AromaticContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CE3 4.43Å; Y58-W166 AromaticContact CE2-CH2 3.87Å; Y58-W166 HydrophobicContact CE2-CH2 3.87Å; Y58-W166 HydrophobicContact CE2-CZ2 4.3Å; Y58-W166 AromaticContact CE2-CZ3 3.93Å; Y58-W166 HydrophobicContact CE2-CZ3 3.93Å; R162-W166 WeakPolarHBondContact O-CB 3.36Å; R162-W166 PolarHBondContact O-N 3Å; C163-W166 PolarHBondContact O-N 2.74Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.44Å; W166-R169 WeakPolarHBondContact O-CB 3.16Å; W166-R169 PolarHBondContact O-N 3.04Å; W166-R169 VanDerWaalsContact O-N 3.14Å; W166-Y170 HydrophobicContact CB-CE2 3.97Å; W166-Y170 HydrophobicContact CE3-CD1 4.4Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.31Å; W166-Y170 AromaticContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.4Å; W166-Y170 AromaticContact CZ3-CE1 3.86Å; W166-Y170 HydrophobicContact CZ3-CE1 3.86Å; W166-Y170 WeakPolarHBondContact O-CD2 3.08Å; W166-Y170 VanDerWaalsContact O-CG 3.24Å; W166-Y170 PolarHBondContact O-N 3.24Å
167L98.4Very high97.1Very high0 Ų062.6 Ų62.60%029%0.294CS..Hα-helixtrans-58.4-44.5177.7174.953.1000111.4H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.41Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4Å; M4-L167 HydrophobicContact CB-CD2 4.13Å; M4-L167 HydrophobicContact CB-CG 4.27Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V102-L167 HydrophobicContact CB-CD2 4.32Å; V102-L167 HydrophobicContact CG1-CD2 3.92Å; V102-L167 HydrophobicContact CG2-CD2 3.61Å; V102-L167 HydrophobicContact CG2-CG 4.16Å; C163-L167 WeakPolarHBondContact O-CB 3.47Å; C163-L167 PolarHBondContact O-N 2.87Å; V164-L167 PolarHBondContact O-N 3.08Å; L167-R169 PolarHBondContact O-N 3.46Å; L167-Y170 PolarHBondContact O-N 3.5Å; L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CD1-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 3.98Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.36Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.34Å; L167-L171 PolarHBondContact O-N 2.85Å
168R97.8Very high96.9Very high116 Ų11659.6 Ų59.644%0.43827%0.268SS..Hα-helixtrans-60.5-44.1175.3-73.1174.1-177.41731.2112.4G106 V164 E165 W166 L171 E172G106-R168 PolarHBondContact O-NE 3.32Å; G106-R168 PolarHBondContact O-NH2 3.46Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.26Å; V164-R168 PolarHBondContact O-N 2.85Å; E165-R168 PolarHBondContact O-N 2.86Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.44Å; R168-L171 PolarHBondContact O-N 2.94Å; R168-E172 PolarHBondContact O-N 3.26Å; R168-E172 VanDerWaalsContact O-N 3.08Å
169R97.3Very high96.6Very high123 Ų12362.1 Ų62.146%0.46428%0.281SS..Hα-helixtrans-60.9-45.1176.6177.1175.4175.4131.4-3.3111.3E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.64Å; E54-R169 IonicContact OE1-NE 2.99Å; E54-R169 PolarHBondContact OE1-NE 3.08Å; E54-R169 IonicContact OE1-NH2 3.5Å; E54-R169 PolarHBondContact OE1-NH2 2.99Å; E54-R169 IonicContact OE2-CZ 3.7Å; E54-R169 IonicContact OE2-NE 3.74Å; E54-R169 IonicContact OE2-NH2 3.09Å; E54-R169 PolarHBondContact OE2-NH2 3.32Å; E165-R169 PolarHBondContact O-N 2.81Å; E165-R169 VanDerWaalsContact O-N 3.09Å; W166-R169 WeakPolarHBondContact O-CB 3.16Å; W166-R169 PolarHBondContact O-N 3.04Å; W166-R169 VanDerWaalsContact O-N 3.14Å; L167-R169 PolarHBondContact O-N 3.46Å; R169-E172 PolarHBondContact O-N 3.33Å; R169-N173 WeakPolarHBondContact O-CB 3.49Å; R169-N173 PolarHBondContact O-N 2.79Å; R169-N173 PolarHBondContact O-OD1 3.01Å
170Y97.8Very high96.4Very high1 Ų165.9 Ų65.90%0.00430%0.296CS..Hα-helixtrans-66.6-38.4178.9-61.1-26.3000112.7M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.56Å; M4-Y170 VanDerWaalsContact SD-CE2 3.56Å; V27-Y170 HydrophobicContact CG2-CD2 4.02Å; F32-Y170 HydrophobicContact CD2-CE2 4.46Å; F32-Y170 HydrophobicContact CE2-CD2 4.19Å; F32-Y170 AromaticContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å; W50-Y170 HydrophobicContact CH2-CG 4.31Å; W50-Y170 AromaticContact CZ3-CD1 3.9Å; W50-Y170 HydrophobicContact CZ3-CD1 3.9Å; W50-Y170 HydrophobicContact CZ3-CD2 4.43Å; W50-Y170 AromaticContact CZ3-CG 3.74Å; W50-Y170 HydrophobicContact CZ3-CG 3.74Å; I51-Y170 HydrophobicContact CD1-CD1 3.77Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.49Å; Y58-Y170 PolarHBondContact OH-OH 3.33Å; W166-Y170 HydrophobicContact CB-CE2 3.97Å; W166-Y170 HydrophobicContact CE3-CD1 4.4Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.31Å; W166-Y170 AromaticContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.4Å; W166-Y170 AromaticContact CZ3-CE1 3.86Å; W166-Y170 HydrophobicContact CZ3-CE1 3.86Å; W166-Y170 WeakPolarHBondContact O-CD2 3.08Å; W166-Y170 VanDerWaalsContact O-CG 3.24Å; W166-Y170 PolarHBondContact O-N 3.24Å; L167-Y170 PolarHBondContact O-N 3.5Å; Y170-E172 VanDerWaalsContact C-N 3.3Å; Y170-E172 PolarHBondContact O-N 2.61Å; Y170-N173 PolarHBondContact O-N 2.9Å; Y170-G174 WeakPolarHBondContact O-CA 3.32Å; Y170-G174 PolarHBondContact O-N 2.83Å; Y170-L178 WeakPolarHBondContact O-CD1 3.5Å
171L97.3Very high96.2Very high14 Ų1464.9 Ų64.97%0.07330%0.295CS..Hα-helixtrans-64.2-33.6174.6-72.3168.6000112.9H2 V27 V102 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.67Å; H2-L171 HydrophobicContact CB-CD2 3.99Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.24Å; V27-L171 HydrophobicContact CG1-CD2 4.07Å; V102-L171 HydrophobicContact CG2-CD1 4.44Å; L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CD1-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 3.98Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.36Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.34Å; L167-L171 PolarHBondContact O-N 2.85Å; R168-L171 PolarHBondContact O-N 2.94Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.44Å; L171-K175 WeakPolarHBondContact O-CB 3.3Å; L171-K175 PolarHBondContact O-N 2.81Å; L171-K175 VanDerWaalsContact O-N 3.16Å; L171-L178 HydrophobicContact CD2-CB 4.14Å; L171-L178 HydrophobicContact CD2-CD1 4.28Å; L171-Q179 PolarHBondContact O-NE2 3.46Å
172E96.6Very high96.2Very high125 Ų12566.1 Ų66.158%0.58430%0.296SS*.Hα-helixtrans-73.4-48174-171.360-150.100111R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.26Å; R168-E172 VanDerWaalsContact O-N 3.08Å; R169-E172 PolarHBondContact O-N 3.33Å; Y170-E172 VanDerWaalsContact C-N 3.3Å; Y170-E172 PolarHBondContact O-N 2.61Å; E172-G174 VanDerWaalsContact C-N 3.33Å; E172-G174 PolarHBondContact O-N 2.84Å; E172-K175 WeakPolarHBondContact O-CB 3.35Å; E172-K175 PolarHBondContact O-N 3.09Å
173N96.6Very high96.2Very high50 Ų5062.4 Ų62.427%0.26729%0.291SS..Hα-helixtrans-59.5-42.8178.7-70.6-3.9000112.6Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 2.78Å; Q53-N173 PolarHBondContact NE2-OD1 2.88Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.12Å; E54-N173 PolarHBondContact OE1-ND2 2.88Å; R169-N173 WeakPolarHBondContact O-CB 3.49Å; R169-N173 PolarHBondContact O-N 2.79Å; R169-N173 PolarHBondContact O-OD1 3.01Å; Y170-N173 PolarHBondContact O-N 2.9Å
174G95.9Very high96.2Very high2 Ų262.9 Ų62.92%0.02129%0.294CS..THydrogen-bonded Turntrans-100.818.9-176.400000113.8W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CG-CA 3.48Å; Y170-G174 WeakPolarHBondContact O-CA 3.32Å; Y170-G174 PolarHBondContact O-N 2.83Å; E172-G174 VanDerWaalsContact C-N 3.33Å; E172-G174 PolarHBondContact O-N 2.84Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 2.87Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 3.47Å; G174-L178 WeakPolarHBondContact O-CB 3.5Å; G174-L178 PolarHBondContact O-N 2.99Å
175K94.6Very high96.1Very high109 Ų10970 Ų7047%0.47433%0.325SS..Hα-helixtrans-48.7-45.5-171.2-177.2173.7-175.11730114.1L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.44Å; L171-K175 WeakPolarHBondContact O-CB 3.3Å; L171-K175 PolarHBondContact O-N 2.81Å; L171-K175 VanDerWaalsContact O-N 3.16Å; E172-K175 WeakPolarHBondContact O-CB 3.35Å; E172-K175 PolarHBondContact O-N 3.09Å; K175-T177 PolarHBondContact O-N 3.5Å; K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 PolarHBondContact O-N 2.72Å; K175-Q179 VanDerWaalsContact O-N 3.12Å
176E92.4Very high96.1Very high181 Ų18166 Ų6685%0.84631%0.309SS*.Hα-helixtrans-64.8-24.4-179.7-63.1-174.9167.500113.6G174G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 2.87Å; G174-E176 VanDerWaalsContact O-N 3.15Å
177T92.1Very high96Very high47 Ų4766.4 Ų66.429%0.28831%0.313SS..Hα-helixtrans-103-41.3-178.2-53.30000112.6G174 K175 R180G174-T177 PolarHBondContact O-N 3.47Å; K175-T177 PolarHBondContact O-N 3.5Å; T177-R180 VanDerWaalsContact O-CG 3.29Å; T177-R180 WeakPolarHBondContact O-CG 3.4Å; T177-R180 PolarHBondContact O-NE 3.24Å
178L93.6Very high95.8Very high4 Ų467.6 Ų67.62%0.02132%0.319CS..Hα-helixtrans-86.3-26.9-173-63.3172.8000113V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.14Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å; T30-L178 HydrophobicContact CG2-CD2 4.09Å; W50-L178 HydrophobicContact CD2-CD1 4.44Å; W50-L178 HydrophobicContact CH2-CD1 4.26Å; W50-L178 HydrophobicContact CZ2-CD1 3.82Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å; Y170-L178 WeakPolarHBondContact O-CD1 3.5Å; L171-L178 HydrophobicContact CD2-CB 4.14Å; L171-L178 HydrophobicContact CD2-CD1 4.28Å; G174-L178 WeakPolarHBondContact O-CB 3.5Å; G174-L178 PolarHBondContact O-N 2.99Å
179Q92.2Very high95.7Very high88 Ų8863.9 Ų63.941%0.41131%0.309SS..SBendtrans-105.814.3178.3-55.2179.532.900111.9L171 K175L171-Q179 PolarHBondContact O-NE2 3.46Å; K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 PolarHBondContact O-N 2.72Å; K175-Q179 VanDerWaalsContact O-N 3.12Å
180R94.3Very high95.5Very high79 Ų7960.8 Ų60.830%0.29830%0.3SS..  trans-79157.6171.780.8-172.4171.1173.44.5110.1T177 D182 Y208T177-R180 VanDerWaalsContact O-CG 3.29Å; T177-R180 WeakPolarHBondContact O-CG 3.4Å; T177-R180 PolarHBondContact O-NE 3.24Å; R180-D182 IonicContact CZ-OD2 2.81Å; R180-D182 IonicContact NE-OD2 2.71Å; R180-D182 PolarHBondContact NE-OD2 2.9Å; R180-D182 IonicContact NH1-OD2 3.27Å; R180-Y208 HydrophobicContact CG-CD1 3.76Å; R180-Y208 HydrophobicContact CG-CE1 4.21Å; R180-Y208 WeakPolarHBondContact O-CD1 3.02Å
181T95.3Very high95.3Very high56 Ų5664.3 Ų64.334%0.34432%0.316SS..  trans-136.2113.4170.7-32.30000108.4Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.3Å; T181-Y208 WeakPolarHBondContact CG2-O 3.29Å; T181-E263 HydrophobicContact CG2-CB 3.99Å; T181-E263 HydrophobicContact CG2-CG 4.1Å
182D96.8Very high95.1Very high49 Ų4968.4 Ų68.426%0.26234%0.344SS..BIsolated β-bridgetrans-101.4114.2-179.2-63.3-36.4000107.8R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 2.81Å; R180-D182 IonicContact NE-OD2 2.71Å; R180-D182 PolarHBondContact NE-OD2 2.9Å; R180-D182 IonicContact NH1-OD2 3.27Å; D182-F207 VanDerWaalsContact O-CA 3.23Å; D182-F207 WeakPolarHBondContact O-CA 3.32Å; D182-F207 WeakPolarHBondContact O-CB 3.47Å; D182-Y208 PolarHBondContact N-O 3.47Å; D182-Y208 PolarHBondContact O-N 2.82Å; D182-Y208 VanDerWaalsContact O-N 3.1Å; D182-H262 PolarHBondContact O-CE1 3.47Å; D182-H262 VanDerWaalsContact O-CE1 3.3Å
183P97.8Very high94.9Very high67 Ų6767 Ų6744%0.43534%0.339SS..  trans-68.5146.9-178.726.2-33.2000111.6K185 L265P183-K185 PolarHBondContact O-N 2.69Å; P183-L265 HydrophobicContact CB-CD2 3.91Å
184P98.2Very high94.7Very high9 Ų967.3 Ų67.36%0.05835%0.345CS..  trans-66133.6178.727.5-34.8000112.1T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.13Å; P184-T186 HydrophobicContact CG-CG2 4.27Å; P184-T186 PolarHBondContact O-N 3.17Å; P184-A204 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.91Å; P184-F207 HydrophobicContact CB-CG 4.16Å; P184-I212 HydrophobicContact CB-CD1 4.04Å; P184-I212 HydrophobicContact CG-CD1 4.08Å; P184-V260 HydrophobicContact CG-CG1 3.94Å; P184-H262 HydrophobicContact CG-CB 4.1Å; P184-L265 HydrophobicContact CG-CD1 3.84Å; P184-L265 HydrophobicContact CG-CD2 4.41Å; P184-L265 HydrophobicContact CG-CG 4.2Å
185K98.1Very high94.4Very high157 Ų15774.4 Ų74.468%0.68338%0.382SS*.EExtended strand (participates in β ladder)trans-79.2106.5164.2-64.7174.7-173.2169.20108P183 L205P183-K185 PolarHBondContact O-N 2.69Å; K185-L205 PolarHBondContact N-O 3.31Å; K185-L205 PolarHBondContact O-N 3.11Å
186T97.3Very high94.4Very high39 Ų3976.1 Ų76.124%0.23939%0.392CS..EExtended strand (participates in β ladder)trans-101138.6-175.155.30000112.2P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.13Å; P184-T186 HydrophobicContact CG-CG2 4.27Å; P184-T186 PolarHBondContact O-N 3.17Å; T186-W203 WeakPolarHBondContact CA-O 3.43Å; T186-A204 HydrophobicContact CG2-CB 4.45Å; T186-V260 HydrophobicContact CG2-CB 4.44Å; T186-V260 HydrophobicContact CG2-CG1 4.23Å; T186-V260 HydrophobicContact CG2-CG2 4.05Å; T186-L269 HydrophobicContact CG2-CD1 4.29Å; T186-L271 HydrophobicContact CG2-CD1 4.2Å
187H95Very high94.5Very high79 Ų7971.8 Ų71.837%0.36637%0.372SS..EExtended strand (participates in β ladder)trans-151.3164.8169.967.9-77.2000110.1W203H187-W203 AromaticContact CD2-CD1 3.99Å; H187-W203 WeakPolarHBondContact CE1-CB 3.45Å; H187-W203 AromaticContact CE1-CD1 3.89Å; H187-W203 AromaticContact CE1-CG 3.54Å; H187-W203 PolarHBondContact N-O 2.89Å; H187-W203 AromaticContact NE2-CD1 3.5Å; H187-W203 AromaticContact NE2-CG 3.61Å; H187-W203 PolarHBondContact O-N 3.24Å
188M95.6Very high94.6Very high24 Ų2469.7 Ų69.712%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-115.2143.9176.9-71.7-178.257.100110.9L200 R201 W216 L271 W273M188-L200 HydrophobicContact CE-CB 4.39Å; M188-L200 HydrophobicContact CE-CD1 4.2Å; M188-L200 HydrophobicContact CE-CD2 4.26Å; M188-R201 CarbonylContact C-O 3.51Å; M188-R201 VanDerWaalsContact CA-O 3.3Å; M188-R201 WeakPolarHBondContact CA-O 3.35Å; M188-W216 HydrophobicContact CE-CH2 3.46Å; M188-W216 VanDerWaalsContact CE-CH2 3.46Å; M188-W216 HydrophobicContact CE-CZ2 4.36Å; M188-W216 HydrophobicContact CE-CZ3 4.2Å; M188-W216 HydrophobicContact SD-CH2 4.43Å; M188-L271 HydrophobicContact CG-CB 4.25Å; M188-L271 HydrophobicContact CG-CD2 4.44Å; M188-L271 HydrophobicContact SD-CB 3.75Å; M188-W273 HydrophobicContact CB-CE3 3.93Å; M188-W273 HydrophobicContact CB-CZ3 4.29Å; M188-W273 HydrophobicContact CE-CB 3.69Å; M188-W273 HydrophobicContact CE-CE3 4.38Å; M188-W273 PolarHBondContact SD-N 2.78Å; M188-W273 VanDerWaalsContact SD-N 3.44Å
189T94.8Very high94.7Very high38 Ų3870.6 Ų70.623%0.23337%0.365CS..EExtended strand (participates in β ladder)trans-123.1145.6170.152.30000110.7H191 R201 W203T189-H191 PolarHBondContact OG1-CE1 3.32Å; T189-R201 PolarHBondContact N-O 3.35Å; T189-R201 PolarHBondContact O-N 3.43Å; T189-W203 PolarHBondContact OG1-NE1 3.05Å
190H94.1Very high94.9Very high59 Ų5966.4 Ų66.427%0.27335%0.345SS..EExtended strand (participates in β ladder)trans-121.2125-177.2171.7-91.2000109.1A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.43Å; H190-T199 WeakPolarHBondContact CA-O 3.49Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; H190-W273 HydrophobicContact CB-CD2 4.23Å; H190-W273 HydrophobicContact CB-CE3 4.21Å; H190-W273 HydrophobicContact CB-CH2 3.41Å; H190-W273 VanDerWaalsContact CB-CH2 3.41Å; H190-W273 HydrophobicContact CB-CZ2 3.39Å; H190-W273 HydrophobicContact CB-CZ3 3.82Å; H190-W273 AromaticContact CG-CZ2 3.96Å
191H93.6Very high95.1Very high75 Ų7565 Ų6535%0.34734%0.34SS..EExtended strand (participates in β ladder)trans-126.1104.9-179-49.983000108.8T189 I193 A198 T199 R201T189-H191 PolarHBondContact OG1-CE1 3.32Å; H191-I193 PolarHBondContact O-N 3.28Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.44Å; H191-T199 PolarHBondContact N-O 3.43Å; H191-T199 PolarHBondContact O-N 2.83Å; H191-R201 PolarHBondContact CE1-NH1 2.97Å
192P93.2Very high95.2Very high100 Ų10062.4 Ų62.465%0.64932%0.324SS*.EExtended strand (participates in β ladder)trans-57.2131.6172.8-20.731000110.6
193I92.3Very high95.3Very high96 Ų9662.1 Ų62.149%0.49232%0.319SS..  trans-99.7-45.5173.7-53.7173.2000109.1H191 E197 T199 V247H191-I193 PolarHBondContact O-N 3.28Å; I193-E197 PolarHBondContact N-O 3.35Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.48Å; I193-V247 HydrophobicContact CD1-CG1 3.98Å; I193-V247 HydrophobicContact CD1-CG2 4.07Å
194S92.7Very high95.3Very high55 Ų5559 Ų5939%0.38530%0.298SS..SBendtrans-147.9-178.3177.672.30000110.1H196 E197S194-H196 PolarHBondContact O-N 3.07Å; S194-H196 PolarHBondContact OG-N 2.94Å; S194-E197 PolarHBondContact N-O 3.47Å; S194-E197 VanDerWaalsContact N-O 3.08Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.95Å
195D89.6Confident95.3Very high151 Ų15161.2 Ų61.281%0.80731%0.31SS*.SBendtrans-62.8-19.8173-65.5-22.3000112.6S250D195-S250 WeakPolarHBondContact O-CB 3.15Å; D195-S250 PolarHBondContact O-OG 2.7Å
196H92.8Very high95.3Very high145 Ų14554.9 Ų54.967%0.67129%0.289SS*.SBendtrans-105.2-15.8-174.3-56.5-51000114.1S194 P249 S250S194-H196 PolarHBondContact O-N 3.07Å; S194-H196 PolarHBondContact OG-N 2.94Å; H196-P249 CarbonylContact O-C 3.54Å; H196-P249 WeakPolarHBondContact O-CA 3.42Å; H196-S250 PolarHBondContact O-N 3.16Å; H196-S250 PolarHBondContact O-OG 3.03Å
197E94.6Very high95.3Very high91 Ų9153 Ų5343%0.42528%0.277SS..EExtended strand (participates in β ladder)trans-146.7146.5-171.1-66.8178.3179.800112.6I193 S194 V247 V248 S250I193-E197 PolarHBondContact N-O 3.35Å; S194-E197 PolarHBondContact N-O 3.47Å; S194-E197 VanDerWaalsContact N-O 3.08Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.95Å; E197-V247 HydrophobicContact CB-CG1 4.1Å; E197-V247 HydrophobicContact CG-CG1 4.33Å; E197-V248 WeakPolarHBondContact CA-O 3.5Å; E197-S250 PolarHBondContact N-OG 3.36Å
198A94.8Very high95.4Very high2 Ų249.4 Ų49.42%0.01726%0.261CS..EExtended strand (participates in β ladder)trans-136.9153.5172.800000111.4H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.43Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.44Å; A198-V247 WeakPolarHBondContact O-CA 3.49Å; A198-V248 PolarHBondContact N-O 2.97Å; A198-V248 WeakPolarHBondContact O-CG2 3.33Å; A198-V248 PolarHBondContact O-N 2.83Å
199T96.4Very high95.4Very high23 Ų2349.2 Ų49.214%0.14126%0.261CS..EExtended strand (participates in β ladder)trans-90.4120.4167.8-52.70000109.8H190 H191 I193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.49Å; H191-T199 PolarHBondContact N-O 3.43Å; H191-T199 PolarHBondContact O-N 2.83Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.48Å; T199-A245 HydrophobicContact CG2-CB 3.82Å; T199-V246 WeakPolarHBondContact CA-O 3.14Å
200L96.8Very high95.6Very high0 Ų048 Ų480%026%0.255CS..EExtended strand (participates in β ladder)trans-92127.6162.7-68180000109.4M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CB 4.39Å; M188-L200 HydrophobicContact CE-CD1 4.2Å; M188-L200 HydrophobicContact CE-CD2 4.26Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; L200-W216 HydrophobicContact CB-CH2 3.64Å; L200-W216 HydrophobicContact CB-CZ2 3.96Å; L200-W216 HydrophobicContact CD1-CH2 4.09Å; L200-W216 HydrophobicContact CD1-CZ3 4.33Å; L200-A245 CarbonylContact O-C 3.57Å; L200-A245 WeakPolarHBondContact O-CA 3.22Å; L200-V246 HydrophobicContact CB-CG2 4.23Å; L200-V246 PolarHBondContact N-O 2.98Å; L200-V246 PolarHBondContact O-N 2.88Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 3.93Å; L200-V248 HydrophobicContact CG-CG1 4.26Å; L200-V248 HydrophobicContact CG-CG2 3.81Å; L200-E253 HydrophobicContact CD1-CB 4.01Å; L200-E253 HydrophobicContact CD1-CG 4.35Å; L200-E253 HydrophobicContact CD2-CG 4.41Å; L200-W273 HydrophobicContact CD1-CB 4.32Å; L200-W273 HydrophobicContact CD2-CB 4.11Å; L200-W273 HydrophobicContact CD2-CD2 4.07Å; L200-W273 HydrophobicContact CD2-CE3 4.33Å; L200-W273 HydrophobicContact CD2-CG 3.96Å
201R97.4Very high95.7Very high51 Ų5152 Ų5219%0.19227%0.274CS..EExtended strand (participates in β ladder)trans-120.8123176.4-174.1178.5-65120.64.5110.3M188 T189 H191 W203 W243 A245M188-R201 CarbonylContact C-O 3.51Å; M188-R201 VanDerWaalsContact CA-O 3.3Å; M188-R201 WeakPolarHBondContact CA-O 3.35Å; T189-R201 PolarHBondContact N-O 3.35Å; T189-R201 PolarHBondContact O-N 3.43Å; H191-R201 PolarHBondContact CE1-NH1 2.97Å; R201-W203 VanDerWaalsContact CD-NE1 3.32Å; R201-W203 HydrophobicContact CG-CZ2 4.39Å; R201-W243 HydrophobicContact CG-CB 4.04Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.85Å; R201-W243 HydrophobicContact CG-CG 4.25Å; R201-A245 HydrophobicContact CB-CB 4.06Å; R201-A245 HydrophobicContact CG-CB 4.09Å
202C97.6Very high95.9Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-96.1122.2175-176.30000109.4W216 W243 A244 C258C202-W216 HydrophobicContact CB-CZ2 3.73Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.38Å; C202-W243 WeakPolarHBondContact O-CB 3.41Å; C202-A244 PolarHBondContact N-O 3.09Å; C202-A244 PolarHBondContact O-N 2.89Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.31Å; C202-C258 WeakPolarHBondContact SG-CB 3.3Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.14Å
203W98.2Very high96.1Very high44 Ų4446.9 Ų46.917%0.16725%0.245CC..EExtended strand (participates in β ladder)trans-105.7142.2-179.9-68.385.6000110.8T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.43Å; H187-W203 AromaticContact CD2-CD1 3.99Å; H187-W203 WeakPolarHBondContact CE1-CB 3.45Å; H187-W203 AromaticContact CE1-CD1 3.89Å; H187-W203 AromaticContact CE1-CG 3.54Å; H187-W203 PolarHBondContact N-O 2.89Å; H187-W203 AromaticContact NE2-CD1 3.5Å; H187-W203 AromaticContact NE2-CG 3.61Å; H187-W203 PolarHBondContact O-N 3.24Å; T189-W203 PolarHBondContact OG1-NE1 3.05Å; R201-W203 VanDerWaalsContact CD-NE1 3.32Å; R201-W203 HydrophobicContact CG-CZ2 4.39Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.85Å; W203-W243 HydrophobicContact CE3-CG 4.16Å; W203-W243 HydrophobicContact CG-CB 4.32Å; W203-W243 AromaticContact CH2-CD1 3.64Å; W203-W243 HydrophobicContact CH2-CG 4.25Å; W203-W243 HydrophobicContact CZ2-CG 4.49Å; W203-W243 HydrophobicContact CZ3-CB 4.29Å; W203-W243 AromaticContact CZ3-CD1 3.4Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å
204A98.4Very high96.4Very high0 Ų042.6 Ų42.60%022%0.223CC..EExtended strand (participates in β ladder)trans-124.9122.6163.200000107.7P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.84Å; T186-A204 HydrophobicContact CG2-CB 4.45Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.29Å; A204-I212 HydrophobicContact CB-CD1 3.69Å; A204-L214 HydrophobicContact CB-CD1 4.1Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.15Å; A204-K242 PolarHBondContact N-O 3.07Å; A204-K242 PolarHBondContact O-N 3.26Å; A204-K242 VanDerWaalsContact O-O 3.09Å
205L98.3Very high96.6Very high56 Ų5641.9 Ų41.929%0.29322%0.217SC..EExtended strand (participates in β ladder)trans-129.4149.2-175.3-59.1179.7000111.4K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.31Å; K185-L205 PolarHBondContact O-N 3.11Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; L205-F207 VanDerWaalsContact C-N 3.34Å; L205-F207 PolarHBondContact O-N 2.71Å; L205-Q241 HydrophobicContact CD2-CB 3.53Å
206G97.7Very high96.9Very high24 Ų2434.8 Ų34.825%0.24718%0.179CC..EExtended strand (participates in β ladder)trans68.131.6167.500000114F240G206-F240 PolarHBondContact N-O 2.96Å
207F97.9Very high97.1Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-102.6156.2-179.459.2-90.6000112.5D182 P184 A204 L205 P209 I212 T232 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.23Å; D182-F207 WeakPolarHBondContact O-CA 3.32Å; D182-F207 WeakPolarHBondContact O-CB 3.47Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.91Å; P184-F207 HydrophobicContact CB-CG 4.16Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.29Å; L205-F207 VanDerWaalsContact C-N 3.34Å; L205-F207 PolarHBondContact O-N 2.71Å; F207-P209 WeakPolarHBondContact CD2-O 3.13Å; F207-I212 HydrophobicContact CD1-CD1 3.9Å; F207-I212 HydrophobicContact CD2-CB 4.29Å; F207-I212 HydrophobicContact CD2-CD1 4.01Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 4.01Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; F207-T232 HydrophobicContact CE2-CG2 4.05Å; F207-T232 HydrophobicContact CZ-CG2 3.87Å; F207-F240 VanDerWaalsContact CD1-O 3.32Å; F207-F240 WeakPolarHBondContact CD1-O 3.28Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.29Å; F207-F240 WeakPolarHBondContact CE1-O 3.47Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.48Å; F207-F240 HydrophobicContact CG-CB 4.48Å; F207-F240 HydrophobicContact CZ-CB 3.66Å; F207-F240 PolarHBondContact N-O 3.35Å; F207-F240 PolarHBondContact O-N 3.07Å; F207-K242 HydrophobicContact CE1-CB 4.37Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; F207-H262 AromaticContact CD2-CD2 3.84Å; F207-H262 AromaticContact CD2-NE2 3.67Å
208Y97Very high97.2Very high4 Ų429.4 Ų29.42%0.01615%0.151CC..BIsolated β-bridgetrans-150.9134.8173.5-179-88000109.2D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.35Å; T30-Y208 PolarHBondContact OG1-OH 2.98Å; R180-Y208 HydrophobicContact CG-CD1 3.76Å; R180-Y208 HydrophobicContact CG-CE1 4.21Å; R180-Y208 WeakPolarHBondContact O-CD1 3.02Å; T181-Y208 WeakPolarHBondContact CA-O 3.3Å; T181-Y208 WeakPolarHBondContact CG2-O 3.29Å; D182-Y208 PolarHBondContact N-O 3.47Å; D182-Y208 PolarHBondContact O-N 2.82Å; D182-Y208 VanDerWaalsContact O-N 3.1Å; Y208-G238 WeakPolarHBondContact CD2-O 3.28Å; Y208-F240 HydrophobicContact CD2-CD2 4.34Å; Y208-F240 AromaticContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CE2-CE2 4.28Å; Y208-H262 PolarHBondContact O-CE1 2.99Å
209P96.2Very high97.2Very high20 Ų2034.1 Ų34.113%0.1318%0.176CC..SBendcis-74.2179.14.432-37.4000113.5D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.27Å; F207-P209 WeakPolarHBondContact CD2-O 3.13Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.37Å; P209-H262 PolarHBondContact O-NE2 3.4Å
210A97.1Very high96.9Very high12 Ų1235.4 Ų35.410%0.09919%0.193CC..SBendtrans-69.5-25-176.100000113.7D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.15Å; D29-A210 VanDerWaalsContact CG-CB 3.47Å; D29-A210 WeakPolarHBondContact OD2-CB 3.26Å; D29-A210 PolarHBondContact OD2-N 2.87Å; A210-I212 PolarHBondContact O-N 2.88Å; A210-I212 VanDerWaalsContact O-N 3.16Å; A210-T232 HydrophobicContact CB-CG2 4.26Å; A210-T232 WeakPolarHBondContact O-CG2 3.39Å; A210-F240 HydrophobicContact CB-CD1 3.7Å; A210-F240 HydrophobicContact CB-CD2 3.69Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.7Å; A210-F240 HydrophobicContact CB-CG 3.72Å; A210-F240 HydrophobicContact CB-CZ 3.73Å
211E96.9Very high96.8Very high144 Ų14441.6 Ų41.667%0.67322%0.222SC*.  trans-64.1115179-17259.1-146.200110.3P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.37Å; E211-H262 PolarHBondContact O-CD2 3.18Å
212I97.8Very high96.7Very high10 Ų1044 Ų445%0.05124%0.239CC..  trans-151.1142.6-179.5-164.1170.7000109.3P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.04Å; P184-I212 HydrophobicContact CG-CD1 4.08Å; A204-I212 HydrophobicContact CB-CD1 3.69Å; F207-I212 HydrophobicContact CD1-CD1 3.9Å; F207-I212 HydrophobicContact CD2-CB 4.29Å; F207-I212 HydrophobicContact CD2-CD1 4.01Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 4.01Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; A210-I212 PolarHBondContact O-N 2.88Å; A210-I212 VanDerWaalsContact O-N 3.16Å; I212-L214 HydrophobicContact CB-CD1 4.49Å; I212-L214 HydrophobicContact CD1-CD1 3.69Å; I212-L214 HydrophobicContact CG1-CD1 3.66Å; I212-L214 HydrophobicContact CG2-CD1 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.57Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.48Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.05Å
213T97.8Very high96.5Very high56 Ų5644.7 Ų44.734%0.34424%0.242SC..EExtended strand (participates in β ladder)trans-113.7124.1174-62.90000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.98Å; T213-V260 WeakPolarHBondContact O-CA 3.46Å; T213-Q261 PolarHBondContact N-O 3.08Å; T213-Q261 PolarHBondContact O-N 3.09Å
214L97.7Very high95.9Very high6 Ų647.6 Ų47.63%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-117.7121.7172.3-86.961.7000108.3A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.1Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; I212-L214 HydrophobicContact CB-CD1 4.49Å; I212-L214 HydrophobicContact CD1-CD1 3.69Å; I212-L214 HydrophobicContact CG1-CD1 3.66Å; I212-L214 HydrophobicContact CG2-CD1 4.11Å; L214-L229 HydrophobicContact CB-CD1 4.09Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; L214-H259 WeakPolarHBondContact CA-O 3.35Å; L214-V260 HydrophobicContact CD1-CG1 4.06Å; L214-V260 HydrophobicContact CD1-CG2 4.48Å; L214-V260 HydrophobicContact CG-CG2 4.28Å
215T96.9Very high95.3Very high41 Ų4156.7 Ų56.725%0.25231%0.307SS..EExtended strand (participates in β ladder)trans-130.9151.2175.957.70000111.4T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.98Å; T215-C258 CarbonylContact O-C 3.51Å; T215-C258 WeakPolarHBondContact O-CA 3.41Å; T215-H259 PolarHBondContact N-O 2.87Å; T215-H259 PolarHBondContact O-N 3.17Å
216W97.3Very high94.7Very high2 Ų259.6 Ų59.61%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-107.8137.6172.1-82.6101.6000110.3M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.46Å; M188-W216 VanDerWaalsContact CE-CH2 3.46Å; M188-W216 HydrophobicContact CE-CZ2 4.36Å; M188-W216 HydrophobicContact CE-CZ3 4.2Å; M188-W216 HydrophobicContact SD-CH2 4.43Å; L200-W216 HydrophobicContact CB-CH2 3.64Å; L200-W216 HydrophobicContact CB-CZ2 3.96Å; L200-W216 HydrophobicContact CD1-CH2 4.09Å; L200-W216 HydrophobicContact CD1-CZ3 4.33Å; C202-W216 HydrophobicContact CB-CZ2 3.73Å; W216-Q223 HydrophobicContact CB-CB 4.2Å; W216-Q223 PolarHBondContact O-N 3.12Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 3.11Å; W216-V246 HydrophobicContact CB-CG1 3.67Å; W216-V246 HydrophobicContact CD2-CB 4.49Å; W216-V246 HydrophobicContact CD2-CG1 4Å; W216-V246 HydrophobicContact CD2-CG2 3.63Å; W216-V246 HydrophobicContact CE3-CG2 3.86Å; W216-V246 HydrophobicContact CG-CB 4.42Å; W216-V246 HydrophobicContact CG-CG1 3.46Å; W216-V246 VanDerWaalsContact CG-CG1 3.46Å; W216-V246 HydrophobicContact CG-CG2 4.05Å; W216-V246 HydrophobicContact CH2-CG2 4.16Å; W216-V246 HydrophobicContact CZ2-CG2 4Å; W216-V246 HydrophobicContact CZ3-CG2 4.14Å; W216-T257 WeakPolarHBondContact CA-O 3.38Å; W216-T257 VanDerWaalsContact CE3-C 3.47Å; W216-C258 HydrophobicContact CD2-CB 4.2Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.17Å; W216-C258 HydrophobicContact CZ2-CB 4.14Å; W216-C258 HydrophobicContact CZ3-CB 4.15Å
217Q97Very high94.5Very high43 Ų4359.5 Ų59.520%0.20132%0.318CS..EExtended strand (participates in β ladder)trans-125.1146.2172.7-68.7-174.1-9.100110.2E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.46Å; Q217-D222 VanDerWaalsContact CG-OD1 3.26Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.15Å; Q217-D222 PolarHBondContact NE2-OD1 3.04Å; Q217-Y256 CarbonylContact O-C 3.52Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.23Å; Q217-T257 PolarHBondContact N-O 3.3Å; Q217-T257 PolarHBondContact O-N 3.19Å; Q217-H259 PolarHBondContact OE1-NE2 2.87Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.17Å
218R96.2Very high94.3Very high80 Ų8065 Ų6530%0.30234%0.343SS..EExtended strand (participates in β ladder)trans-117.6116.9168.9-177.5-179.468.6-164.1-3.9108.5G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.5Å; R218-E221 PolarHBondContact N-O 2.04Å; R218-E221 PolarHBondContact O-N 2.92Å; R218-Q223 HydrophobicContact CB-CG 3.96Å; R218-R255 WeakPolarHBondContact CA-O 3.43Å; R218-R255 HydrophobicContact CG-CB 4.26Å; R218-Y256 HydrophobicContact CB-CD1 4.06Å; R218-Y256 HydrophobicContact CB-CE1 3.91Å; R218-Y256 VanDerWaalsContact CD-CZ 3.5Å; R218-Y256 WeakPolarHBondContact CD-OH 3.37Å; R218-Y256 HydrophobicContact CG-CD1 4.42Å; R218-Y256 HydrophobicContact CG-CE1 4.08Å; R218-Y256 HydrophobicContact CG-CE2 4.23Å
219D93.9Very high94.3Very high101 Ų10169 Ų6954%0.5437%0.365SS..THydrogen-bonded Turntrans5029.5-174.9-56.1-43.2000114.2R255D219-R255 PolarHBondContact N-O 3.03Å; D219-R255 IonicContact OD1-NE 2.69Å; D219-R255 IonicContact OD2-CZ 2.72Å; D219-R255 IonicContact OD2-NE 3.46Å; D219-R255 PolarHBondContact OD2-NE 3.46Å; D219-R255 IonicContact OD2-NH2 2.64Å; D219-R255 PolarHBondContact OD2-NH2 3.46Å
220G90.7Very high94.3Very high50 Ų5069.7 Ų69.752%0.51537%0.368SS..THydrogen-bonded Turntrans91.5-2.1-177.500000115.7R218R218-G220 PolarHBondContact O-N 3.5Å
221E94.8Very high94.3Very high130 Ų13077.3 Ų77.361%0.60740%0.402SS*.EExtended strand (participates in β ladder)trans-95.8128.1175.4-63.5-175.416700111.8Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.46Å; R218-E221 PolarHBondContact N-O 2.04Å; R218-E221 PolarHBondContact O-N 2.92Å; E221-Q223 PolarHBondContact O-NE2 2.72Å
222D94.6Very high94.3Very high100 Ų10072.6 Ų72.654%0.53538%0.383SS..EExtended strand (participates in β ladder)trans-61.8136.2-179.6-69.3-27.9000112.6Q217Q217-D222 VanDerWaalsContact CG-OD1 3.26Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.15Å; Q217-D222 PolarHBondContact NE2-OD1 3.04Å
223Q94Very high94.3Very high16 Ų1676.9 Ų76.98%0.07540%0.399CS..  trans-109.334.2-177.5-58.2-59.2-69.200112.6W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.2Å; W216-Q223 PolarHBondContact O-N 3.12Å; R218-Q223 HydrophobicContact CB-CG 3.96Å; E221-Q223 PolarHBondContact O-NE2 2.72Å; Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 2.8Å; Q223-D226 PolarHBondContact O-N 2.88Å; Q223-T227 WeakPolarHBondContact O-CB 3.29Å; Q223-T227 PolarHBondContact O-N 3.15Å; Q223-T227 VanDerWaalsContact O-N 3.14Å; Q223-T227 PolarHBondContact O-OG1 3.27Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å
224T85.9Confident94.3Very high105 Ų10578.8 Ų78.864%0.64441%0.412SS*.THydrogen-bonded Turntrans-57.8-35.5-169.5-47.10000114.2
225Q86.1Confident94.2Very high191 Ų19180.9 Ų80.989%0.89343%0.43SS*.THydrogen-bonded Turntrans-74.8-32.3-178.6-66.7-174.47.400113.1Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 2.8Å; Q225-T227 VanDerWaalsContact C-N 3.33Å
226D84.8Confident94Very high116 Ų11682.6 Ų82.662%0.6246%0.456SS*.THydrogen-bonded Turntrans-93.73.3-178.3-56.9-50.1000112.3Q223Q223-D226 PolarHBondContact O-N 2.88Å
227T92.9Very high93.8Very high23 Ų2387.8 Ų87.814%0.14148%0.484CS..EExtended strand (participates in β ladder)trans-96.1121-180-62.10000111Q223 Q225 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.29Å; Q223-T227 PolarHBondContact O-N 3.15Å; Q223-T227 VanDerWaalsContact O-N 3.14Å; Q223-T227 PolarHBondContact O-OG1 3.27Å; Q225-T227 VanDerWaalsContact C-N 3.33Å; T227-L229 HydrophobicContact CG2-CB 4.32Å; T227-L229 PolarHBondContact O-N 2.87Å; T227-A244 HydrophobicContact CG2-CB 3.98Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 3.43Å; T227-V246 HydrophobicContact CG2-CG1 4.33Å; T227-V246 VanDerWaalsContact OG1-CG1 3.27Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.45Å
228E95.7Very high93.5Very high114 Ų11487.7 Ų87.753%0.53349%0.494SS..EExtended strand (participates in β ladder)trans-77.4104.3162.7-172.8-174.7-171.100109W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact O-CZ3 3.43Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.38Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.4Å; E228-A244 CarbonylContact O-C 3.57Å; E228-A244 WeakPolarHBondContact O-CA 3.2Å; E228-A245 HydrophobicContact CB-CB 4.4Å; E228-A245 PolarHBondContact N-O 3.44Å; E228-A245 PolarHBondContact O-N 2.91Å
229L96.1Very high93.6Very high89 Ų8984.7 Ų84.747%0.46649%0.485SS..EExtended strand (participates in β ladder)trans-110.4120.4178.3-175.768.1000110L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.09Å; T227-L229 HydrophobicContact CG2-CB 4.32Å; T227-L229 PolarHBondContact O-N 2.87Å; L229-K242 HydrophobicContact CD1-CD 4.48Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
230V96.5Very high93.8Very high34 Ų3481 Ų8121%0.20646%0.464CS..PPolyproline II helixtrans-85.2152.9174.4-64.20000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 VanDerWaalsContact O-CE 3.25Å; V230-K242 WeakPolarHBondContact O-CE 3.45Å; V230-K242 WeakPolarHBondContact O-CG 3.03Å; V230-K242 PolarHBondContact O-NZ 3.26Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 4Å; V230-W243 HydrophobicContact CG1-CE3 4.33Å; V230-W243 HydrophobicContact CG1-CH2 3.6Å; V230-W243 HydrophobicContact CG1-CZ2 3.19Å; V230-W243 HydrophobicContact CG1-CZ3 4.14Å; V230-W243 HydrophobicContact CG2-CD2 3.77Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.23Å; V230-W243 PolarHBondContact N-O 3Å
231E96.6Very high94.1Very high173 Ų17380.8 Ų80.881%0.80845%0.449SS*.PPolyproline II helixtrans-58.1150.4167.5-67.3-174.3159.700111.3R233E231-R233 PolarHBondContact O-N 3.26Å
232T97.8Very high94.3Very high45 Ų4575.6 Ų75.628%0.27643%0.425SS..PPolyproline II helixtrans-68.5130.2174.9-56.60000108.5F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.05Å; F207-T232 HydrophobicContact CZ-CG2 3.87Å; A210-T232 HydrophobicContact CB-CG2 4.26Å; A210-T232 WeakPolarHBondContact O-CG2 3.39Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.25Å; T232-K242 PolarHBondContact OG1-NZ 3.49Å
233R97.1Very high94.5Very high100 Ų10072 Ų7238%0.37740%0.404SS..EExtended strand (participates in β ladder)trans-125.8145.5-175.368.5-169.1-178.9-174.53.9111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 3.26Å; R233-F240 WeakPolarHBondContact O-CA 3.34Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 3.23Å; R233-Q241 WeakPolarHBondContact O-CG 3.34Å; R233-Q241 PolarHBondContact O-N 2.87Å
234P97Very high94.6Very high95 Ų9571.3 Ų71.362%0.61740%0.4SS*.EExtended strand (participates in β ladder)trans-68.1145177.928.3-34.4000111.2F240P234-F240 HydrophobicContact CB-CE1 4.28Å
235A96.3Very high95.2Very high50 Ų5066.4 Ų66.441%0.41337%0.371SS..  trans-88.1-17.317300000112.9T239A235-T239 WeakPolarHBondContact CB-O 3.49Å; A235-T239 PolarHBondContact N-O 3.13Å
236G93.3Very high95.7Very high77 Ų7757.5 Ų57.579%0.79433%0.329SS*.SBendtrans97.8-8.8178.800000114.8
237D92.3Very high96.3Very high112 Ų11255.4 Ų55.460%0.59932%0.321SS*.SBendtrans-105.414.1177.162.2-1.2000113T239D237-T239 WeakPolarHBondContact OD1-CB 3.03Å; D237-T239 PolarHBondContact OD1-N 3.46Å; D237-T239 PolarHBondContact OD1-OG1 2.85Å
238G91.6Very high96.4Very high40 Ų4054.4 Ų54.441%0.41231%0.314SS..SBendtrans84.74.6-17400000114.5Y208Y208-G238 WeakPolarHBondContact CD2-O 3.28Å
239T96.8Very high96.4Very high17 Ų1751.2 Ų51.210%0.10430%0.303CS..  trans-107.6173171.373.60000112.2A235 D237A235-T239 WeakPolarHBondContact CB-O 3.49Å; A235-T239 PolarHBondContact N-O 3.13Å; D237-T239 WeakPolarHBondContact OD1-CB 3.03Å; D237-T239 PolarHBondContact OD1-N 3.46Å; D237-T239 PolarHBondContact OD1-OG1 2.85Å
240F98.1Very high96.1Very high25 Ų2549.6 Ų49.611%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-121.1162.6-177.3-63.5-85.5000112.5D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.56Å; G206-F240 PolarHBondContact N-O 2.96Å; F207-F240 VanDerWaalsContact CD1-O 3.32Å; F207-F240 WeakPolarHBondContact CD1-O 3.28Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.29Å; F207-F240 WeakPolarHBondContact CE1-O 3.47Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.48Å; F207-F240 HydrophobicContact CG-CB 4.48Å; F207-F240 HydrophobicContact CZ-CB 3.66Å; F207-F240 PolarHBondContact N-O 3.35Å; F207-F240 PolarHBondContact O-N 3.07Å; Y208-F240 HydrophobicContact CD2-CD2 4.34Å; Y208-F240 AromaticContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CE2-CE2 4.28Å; A210-F240 HydrophobicContact CB-CD1 3.7Å; A210-F240 HydrophobicContact CB-CD2 3.69Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.7Å; A210-F240 HydrophobicContact CB-CG 3.72Å; A210-F240 HydrophobicContact CB-CZ 3.73Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.34Å; P234-F240 HydrophobicContact CB-CE1 4.28Å
241Q98.2Very high95.7Very high44 Ų4451 Ų5121%0.20632%0.321CS..EExtended strand (participates in β ladder)trans-141147174.445168.3-27.100110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.15Å; L205-Q241 HydrophobicContact CD2-CB 3.53Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 3.23Å; R233-Q241 WeakPolarHBondContact O-CG 3.34Å; R233-Q241 PolarHBondContact O-N 2.87Å
242K98.5Very high95.6Very high21 Ų2145.7 Ų45.79%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-151.3154.3176.6-161.9-176.1-172.170.60109A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.07Å; A204-K242 PolarHBondContact O-N 3.26Å; A204-K242 VanDerWaalsContact O-O 3.09Å; F207-K242 HydrophobicContact CE1-CB 4.37Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.57Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L229-K242 HydrophobicContact CD1-CD 4.48Å; V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 VanDerWaalsContact O-CE 3.25Å; V230-K242 WeakPolarHBondContact O-CE 3.45Å; V230-K242 WeakPolarHBondContact O-CG 3.03Å; V230-K242 PolarHBondContact O-NZ 3.26Å; T232-K242 WeakPolarHBondContact OG1-CD 3.25Å; T232-K242 PolarHBondContact OG1-NZ 3.49Å
243W98.1Very high95.3Very high26 Ų2644.6 Ų44.610%0.09829%0.288CS..EExtended strand (participates in β ladder)trans-143.4157.3169.359.7-98.4000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.04Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.85Å; R201-W243 HydrophobicContact CG-CG 4.25Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.38Å; C202-W243 WeakPolarHBondContact O-CB 3.41Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.85Å; W203-W243 HydrophobicContact CE3-CG 4.16Å; W203-W243 HydrophobicContact CG-CB 4.32Å; W203-W243 AromaticContact CH2-CD1 3.64Å; W203-W243 HydrophobicContact CH2-CG 4.25Å; W203-W243 HydrophobicContact CZ2-CG 4.49Å; W203-W243 HydrophobicContact CZ3-CB 4.29Å; W203-W243 AromaticContact CZ3-CD1 3.4Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å; E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact O-CZ3 3.43Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.38Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.4Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 4Å; V230-W243 HydrophobicContact CG1-CE3 4.33Å; V230-W243 HydrophobicContact CG1-CH2 3.6Å; V230-W243 HydrophobicContact CG1-CZ2 3.19Å; V230-W243 HydrophobicContact CG1-CZ3 4.14Å; V230-W243 HydrophobicContact CG2-CD2 3.77Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.23Å; V230-W243 PolarHBondContact N-O 3Å; W243-A245 HydrophobicContact CE3-CB 3.97Å; W243-A245 HydrophobicContact CZ3-CB 3.66Å
244A97.8Very high95.1Very high0 Ų043.9 Ų43.90%029%0.289CS..EExtended strand (participates in β ladder)trans-131.4132.8174.100000108.6C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 3.09Å; C202-A244 PolarHBondContact O-N 2.89Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 3.11Å; T227-A244 HydrophobicContact CG2-CB 3.98Å; E228-A244 CarbonylContact O-C 3.57Å; E228-A244 WeakPolarHBondContact O-CA 3.2Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
245A97.3Very high95Very high2 Ų244.1 Ų44.12%0.01728%0.278CS..EExtended strand (participates in β ladder)trans-125.5146.6-179.700000112.2T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.82Å; L200-A245 CarbonylContact O-C 3.57Å; L200-A245 WeakPolarHBondContact O-CA 3.22Å; R201-A245 HydrophobicContact CB-CB 4.06Å; R201-A245 HydrophobicContact CG-CB 4.09Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 3.43Å; E228-A245 HydrophobicContact CB-CB 4.4Å; E228-A245 PolarHBondContact N-O 3.44Å; E228-A245 PolarHBondContact O-N 2.91Å; W243-A245 HydrophobicContact CE3-CB 3.97Å; W243-A245 HydrophobicContact CZ3-CB 3.66Å
246V97.1Very high95Very high4 Ų442.1 Ų42.12%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-132.7145.4174.5-69.50000109.4T199 L200 W216 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.14Å; L200-V246 HydrophobicContact CB-CG2 4.23Å; L200-V246 PolarHBondContact N-O 2.98Å; L200-V246 PolarHBondContact O-N 2.88Å; W216-V246 HydrophobicContact CB-CG1 3.67Å; W216-V246 HydrophobicContact CD2-CB 4.49Å; W216-V246 HydrophobicContact CD2-CG1 4Å; W216-V246 HydrophobicContact CD2-CG2 3.63Å; W216-V246 HydrophobicContact CE3-CG2 3.86Å; W216-V246 HydrophobicContact CG-CB 4.42Å; W216-V246 HydrophobicContact CG-CG1 3.46Å; W216-V246 VanDerWaalsContact CG-CG1 3.46Å; W216-V246 HydrophobicContact CG-CG2 4.05Å; W216-V246 HydrophobicContact CH2-CG2 4.16Å; W216-V246 HydrophobicContact CZ2-CG2 4Å; W216-V246 HydrophobicContact CZ3-CG2 4.14Å; T227-V246 HydrophobicContact CG2-CG1 4.33Å; T227-V246 VanDerWaalsContact OG1-CG1 3.27Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.45Å; V246-V248 HydrophobicContact CB-CG1 4.43Å; V246-V248 HydrophobicContact CG2-CG1 3.71Å; V246-Y256 HydrophobicContact CG2-CD1 4.12Å
247V96.7Very high95.2Very high73 Ų7338.9 Ų38.944%0.44222%0.224SC..EExtended strand (participates in β ladder)trans-85128.2167.9-179.20000107.8I193 E197 A198I193-V247 HydrophobicContact CD1-CG1 3.98Å; I193-V247 HydrophobicContact CD1-CG2 4.07Å; E197-V247 HydrophobicContact CB-CG1 4.1Å; E197-V247 HydrophobicContact CG-CG1 4.33Å; A198-V247 WeakPolarHBondContact O-CA 3.49Å
248V95.5Very high95.4Very high1 Ų133.6 Ų33.61%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-126.3143.9-177.5-540000110.3E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.5Å; A198-V248 PolarHBondContact N-O 2.97Å; A198-V248 WeakPolarHBondContact O-CG2 3.33Å; A198-V248 PolarHBondContact O-N 2.83Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 3.93Å; L200-V248 HydrophobicContact CG-CG1 4.26Å; L200-V248 HydrophobicContact CG-CG2 3.81Å; V246-V248 HydrophobicContact CB-CG1 4.43Å; V246-V248 HydrophobicContact CG2-CG1 3.71Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 3.96Å; V248-Y256 HydrophobicContact CB-CE2 3.68Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.53Å; V248-Y256 HydrophobicContact CG1-CE1 3.7Å; V248-Y256 HydrophobicContact CG1-CE2 3.54Å; V248-Y256 HydrophobicContact CG1-CG 3.62Å
249P95.2Very high95.7Very high47 Ų4733.1 Ų33.131%0.30518%0.183SC..EExtended strand (participates in β ladder)trans-62.8141.4170.2-20.632.5000111.3H196 G251 E252H196-P249 CarbonylContact O-C 3.54Å; H196-P249 WeakPolarHBondContact O-CA 3.42Å; P249-G251 PolarHBondContact O-N 3.12Å; P249-E252 HydrophobicContact CB-CB 4.28Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.48Å; P249-E252 WeakPolarHBondContact O-CB 3.45Å; P249-E252 PolarHBondContact O-N 3.08Å
250S90.1Very high95.7Very high56 Ų5632.3 Ų32.339%0.39218%0.178SC..THydrogen-bonded Turntrans-55.2126.4174.8-64.90000110.7D195 H196 E197 E252D195-S250 WeakPolarHBondContact O-CB 3.15Å; D195-S250 PolarHBondContact O-OG 2.7Å; H196-S250 PolarHBondContact O-N 3.16Å; H196-S250 PolarHBondContact O-OG 3.03Å; E197-S250 PolarHBondContact N-OG 3.36Å; S250-E252 VanDerWaalsContact C-N 3.34Å
251G89Confident95.7Very high63 Ų6336 Ų3665%0.64920%0.195SC*.THydrogen-bonded Turntrans88.7-6.7-179.100000114.9P249 E253P249-G251 PolarHBondContact O-N 3.12Å; G251-E253 WeakPolarHBondContact CA-OE2 3.36Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 2.85Å; G251-E253 PolarHBondContact N-OE2 2.81Å
252E93.4Very high95.7Very high61 Ų6134.6 Ų34.629%0.28519%0.189SC..  trans-98.63.6175.3-65.6-163.2-16200113.4P249 S250 Q254 R255 Y256P249-E252 HydrophobicContact CB-CB 4.28Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.48Å; P249-E252 WeakPolarHBondContact O-CB 3.45Å; P249-E252 PolarHBondContact O-N 3.08Å; S250-E252 VanDerWaalsContact C-N 3.34Å; E252-Q254 PolarHBondContact O-N 2.9Å; E252-R255 VanDerWaalsContact CD-NH1 3.34Å; E252-R255 WeakPolarHBondContact O-CB 3.37Å; E252-R255 PolarHBondContact O-N 3.21Å; E252-R255 IonicContact OE1-NH1 3.59Å; E252-R255 IonicContact OE2-CZ 3.12Å; E252-R255 IonicContact OE2-NH1 2.78Å; E252-R255 PolarHBondContact OE2-NH1 2.71Å; E252-Y256 HydrophobicContact CB-CE2 4.23Å; E252-Y256 VanDerWaalsContact O-CD2 3.3Å; E252-Y256 WeakPolarHBondContact O-CD2 3.48Å
253E93Very high95.6Very high22 Ų2240.7 Ų40.710%0.10322%0.218CC..G310 helixtrans-56.2-33.2-171.8-57.880.9-179.300112.7L200 V248 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.01Å; L200-E253 HydrophobicContact CD1-CG 4.35Å; L200-E253 HydrophobicContact CD2-CG 4.41Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; G251-E253 WeakPolarHBondContact CA-OE2 3.36Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 2.85Å; G251-E253 PolarHBondContact N-OE2 2.81Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.21Å; E253-Y256 PolarHBondContact O-N 3.33Å; E253-W273 HydrophobicContact CB-CB 4.22Å; E253-W273 HydrophobicContact CB-CG 4.24Å
254Q92.1Very high95.4Very high86 Ų8640.3 Ų40.340%0.40222%0.222SC..G310 helixtrans-68.6-21.5179.4-65.1-57.3-48.100114.1E252 W273 L275E252-Q254 PolarHBondContact O-N 2.9Å; Q254-W273 PolarHBondContact NE2-O 3.1Å; Q254-W273 PolarHBondContact OE1-O 3.27Å; Q254-L275 HydrophobicContact CG-CD1 4.48Å
255R94.8Very high95.4Very high100 Ų10041.5 Ų41.538%0.37723%0.228SC..G310 helixtrans-75.4-18.5177-62174.867.1-174.46.1111.7R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.43Å; R218-R255 HydrophobicContact CG-CB 4.26Å; D219-R255 PolarHBondContact N-O 3.03Å; D219-R255 IonicContact OD1-NE 2.69Å; D219-R255 IonicContact OD2-CZ 2.72Å; D219-R255 IonicContact OD2-NE 3.46Å; D219-R255 PolarHBondContact OD2-NE 3.46Å; D219-R255 IonicContact OD2-NH2 2.64Å; D219-R255 PolarHBondContact OD2-NH2 3.46Å; E252-R255 VanDerWaalsContact CD-NH1 3.34Å; E252-R255 WeakPolarHBondContact O-CB 3.37Å; E252-R255 PolarHBondContact O-N 3.21Å; E252-R255 IonicContact OE1-NH1 3.59Å; E252-R255 IonicContact OE2-CZ 3.12Å; E252-R255 IonicContact OE2-NH1 2.78Å; E252-R255 PolarHBondContact OE2-NH1 2.71Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.21Å
256Y95.8Very high95.3Very high8 Ų847.7 Ų47.73%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-95.5129.1-177.8-65.7-99.3000111.2Q217 R218 Q223 V246 V248 E252 E253Q217-Y256 CarbonylContact O-C 3.52Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.23Å; R218-Y256 HydrophobicContact CB-CD1 4.06Å; R218-Y256 HydrophobicContact CB-CE1 3.91Å; R218-Y256 VanDerWaalsContact CD-CZ 3.5Å; R218-Y256 WeakPolarHBondContact CD-OH 3.37Å; R218-Y256 HydrophobicContact CG-CD1 4.42Å; R218-Y256 HydrophobicContact CG-CE1 4.08Å; R218-Y256 HydrophobicContact CG-CE2 4.23Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å; V246-Y256 HydrophobicContact CG2-CD1 4.12Å; V248-Y256 HydrophobicContact CB-CD2 3.96Å; V248-Y256 HydrophobicContact CB-CE2 3.68Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.53Å; V248-Y256 HydrophobicContact CG1-CE1 3.7Å; V248-Y256 HydrophobicContact CG1-CE2 3.54Å; V248-Y256 HydrophobicContact CG1-CG 3.62Å; E252-Y256 HydrophobicContact CB-CE2 4.23Å; E252-Y256 VanDerWaalsContact O-CD2 3.3Å; E252-Y256 WeakPolarHBondContact O-CD2 3.48Å; E253-Y256 PolarHBondContact O-N 3.33Å
257T96.9Very high95.3Very high9 Ų955.3 Ų55.36%0.05530%0.301CS..EExtended strand (participates in β ladder)trans-121.3133.5175.544.80000110.7W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.38Å; W216-T257 VanDerWaalsContact CE3-C 3.47Å; Q217-T257 PolarHBondContact N-O 3.3Å; Q217-T257 PolarHBondContact O-N 3.19Å; T257-H259 PolarHBondContact OG1-NE2 3.04Å; T257-T270 HydrophobicContact CG2-CG2 3.84Å; T257-L271 CarbonylContact C-O 3.54Å; T257-L271 WeakPolarHBondContact CA-O 3.42Å; T257-R272 HydrophobicContact CG2-CG 3.43Å; T257-R272 VanDerWaalsContact CG2-CG 3.43Å
258C97.4Very high95.3Very high0 Ų055.6 Ų55.60%030%0.304CS..EExtended strand (participates in β ladder)trans-94.2127.2168.5174.50000109.6C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.31Å; C202-C258 WeakPolarHBondContact SG-CB 3.3Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.14Å; T215-C258 CarbonylContact O-C 3.51Å; T215-C258 WeakPolarHBondContact O-CA 3.41Å; W216-C258 HydrophobicContact CD2-CB 4.2Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.17Å; W216-C258 HydrophobicContact CZ2-CB 4.14Å; W216-C258 HydrophobicContact CZ3-CB 4.15Å; C258-T270 CarbonylContact O-C 3.53Å; C258-T270 WeakPolarHBondContact O-CA 3.49Å; C258-L271 HydrophobicContact CB-CB 4.29Å; C258-L271 PolarHBondContact N-O 3.3Å; C258-L271 PolarHBondContact O-N 2.92Å
259H97.3Very high95.3Very high31 Ų3158.6 Ų58.614%0.14432%0.32CS..EExtended strand (participates in β ladder)trans-106.2128.8176.5-63.3-98.7000109.7L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.35Å; T215-H259 PolarHBondContact N-O 2.87Å; T215-H259 PolarHBondContact O-N 3.17Å; Q217-H259 PolarHBondContact OE1-NE2 2.87Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.17Å; T257-H259 PolarHBondContact OG1-NE2 3.04Å; H259-L269 WeakPolarHBondContact CA-O 3.48Å; H259-T270 PolarHBondContact CE1-OG1 3.12Å; H259-T270 PolarHBondContact ND1-OG1 3.26Å
260V98.1Very high95.4Very high0 Ų060 Ų600%033%0.328CS..EExtended strand (participates in β ladder)trans-121.2119.5-179.2-175.30000108.9P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.94Å; T186-V260 HydrophobicContact CG2-CB 4.44Å; T186-V260 HydrophobicContact CG2-CG1 4.23Å; T186-V260 HydrophobicContact CG2-CG2 4.05Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; T213-V260 WeakPolarHBondContact O-CA 3.46Å; L214-V260 HydrophobicContact CD1-CG1 4.06Å; L214-V260 HydrophobicContact CD1-CG2 4.48Å; L214-V260 HydrophobicContact CG-CG2 4.28Å; V260-L265 HydrophobicContact CG1-CD1 4.17Å; V260-P268 WeakPolarHBondContact O-CA 3.47Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 2.97Å; V260-L269 PolarHBondContact O-N 3.3Å; V260-L271 HydrophobicContact CG2-CD1 3.69Å
261Q98.2Very high95.6Very high102 Ų10258.7 Ų58.748%0.47732%0.316SS..EExtended strand (participates in β ladder)trans-115.1127.6173.7-50.7-178.323.900109.1I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.48Å; T213-Q261 PolarHBondContact N-O 3.08Å; T213-Q261 PolarHBondContact O-N 3.09Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
262H97.9Very high95.8Very high15 Ų1563.1 Ų63.17%0.06931%0.314CS..  trans-153.3146-179.8-173.8-99.3000108.3D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.47Å; D182-H262 VanDerWaalsContact O-CE1 3.3Å; P184-H262 HydrophobicContact CG-CB 4.1Å; F207-H262 AromaticContact CD2-CD2 3.84Å; F207-H262 AromaticContact CD2-NE2 3.67Å; Y208-H262 PolarHBondContact O-CE1 2.99Å; P209-H262 PolarHBondContact O-NE2 3.4Å; E211-H262 PolarHBondContact O-CD2 3.18Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.05Å; H262-G264 PolarHBondContact ND1-N 3.08Å; H262-G264 PolarHBondContact O-N 3.47Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 3.39Å
263E95.3Very high95.6Very high149 Ų14962.9 Ų62.970%0.69631%0.31SS*.THydrogen-bonded Turntrans-59.9-29.3-179.5-175174.5177.400112.7T181 L265T181-E263 HydrophobicContact CG2-CB 3.99Å; T181-E263 HydrophobicContact CG2-CG 4.1Å; E263-L265 PolarHBondContact O-N 3.37Å
264G94.9Very high94.9Very high18 Ų1869 Ų6919%0.18634%0.338CS..THydrogen-bonded Turntrans-74-9.7178.400000113.8H262H262-G264 PolarHBondContact ND1-N 3.08Å; H262-G264 PolarHBondContact O-N 3.47Å
265L97.1Very high93.5Very high25 Ų2571.2 Ų71.213%0.13135%0.353CS..SBendtrans-96.7125.6177.9-64.1170.8000110.1P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.91Å; P184-L265 HydrophobicContact CG-CD1 3.84Å; P184-L265 HydrophobicContact CG-CD2 4.41Å; P184-L265 HydrophobicContact CG-CG 4.2Å; V260-L265 HydrophobicContact CG1-CD1 4.17Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 3.39Å; E263-L265 PolarHBondContact O-N 3.37Å; L265-K267 WeakPolarHBondContact CB-O 3.41Å; L265-K267 PolarHBondContact O-N 2.91Å; L265-L269 HydrophobicContact CD1-CB 4.4Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.81Å; L265-L269 HydrophobicContact CD2-CD1 3.57Å; L265-L269 HydrophobicContact CD2-CG 3.88Å; L265-L269 HydrophobicContact CG-CD1 4.36Å; L265-L269 HydrophobicContact CG-CG 4.42Å
266P95.7Very high91.4Very high132 Ų13270.6 Ų70.686%0.85736%0.363SS*.SBendtrans-65.2-2417827-34.8000112.6
267K96.3Very high88.8Confident163 Ų16374.7 Ų74.771%0.70939%0.393SS*.SBendtrans-146.3150.5173-64.5-175.7-178.1178.60109L265 L269L265-K267 WeakPolarHBondContact CB-O 3.41Å; L265-K267 PolarHBondContact O-N 2.91Å; K267-L269 PolarHBondContact O-N 2.87Å
268P96.6Very high86.2Confident80 Ų8082.7 Ų82.752%0.51943%0.43SS..  trans-50.8135.7172-28.636.6000112.1V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.47Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
269L96.6Very high83.4Confident63 Ų6388 Ų8833%0.3347%0.465SS..EExtended strand (participates in β ladder)trans-86.7141.8173.5-67.5176.8000109.7T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.29Å; H259-L269 WeakPolarHBondContact CA-O 3.48Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 2.97Å; V260-L269 PolarHBondContact O-N 3.3Å; L265-L269 HydrophobicContact CD1-CB 4.4Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.81Å; L265-L269 HydrophobicContact CD2-CD1 3.57Å; L265-L269 HydrophobicContact CD2-CG 3.88Å; L265-L269 HydrophobicContact CG-CD1 4.36Å; L265-L269 HydrophobicContact CG-CG 4.42Å; K267-L269 PolarHBondContact O-N 2.87Å
270T96.4Very high81.1Confident77 Ų7792.4 Ų92.447%0.47249%0.494SS..EExtended strand (participates in β ladder)trans-120.8113.5171.3-56.70000107.8T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.84Å; C258-T270 CarbonylContact O-C 3.53Å; C258-T270 WeakPolarHBondContact O-CA 3.49Å; H259-T270 PolarHBondContact CE1-OG1 3.12Å; H259-T270 PolarHBondContact ND1-OG1 3.26Å
271L94.9Very high79.2Confident29 Ų2997.9 Ų97.915%0.15252%0.522CS..EExtended strand (participates in β ladder)trans-98.6138.6176-62.1105.5000109.7T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.2Å; M188-L271 HydrophobicContact CG-CB 4.25Å; M188-L271 HydrophobicContact CG-CD2 4.44Å; M188-L271 HydrophobicContact SD-CB 3.75Å; T257-L271 CarbonylContact C-O 3.54Å; T257-L271 WeakPolarHBondContact CA-O 3.42Å; C258-L271 HydrophobicContact CB-CB 4.29Å; C258-L271 PolarHBondContact N-O 3.3Å; C258-L271 PolarHBondContact O-N 2.92Å; V260-L271 HydrophobicContact CG2-CD1 3.69Å
272R92.8Very high77Confident156 Ų15697.5 Ų97.559%0.58953%0.528SS*.EExtended strand (participates in β ladder)trans-116.8151.4165.6-73.6-177.3177.2162.3-0.5108.2T257 E274T257-R272 HydrophobicContact CG2-CG 3.43Å; T257-R272 VanDerWaalsContact CG2-CG 3.43Å; R272-E274 PolarHBondContact O-N 3.46Å; R272-E274 VanDerWaalsContact O-N 3.08Å
273W90Very high75.1Confident56 Ų56102 Ų10221%0.21255%0.551CS.*  trans-61.2116.2168.3178.1-122.1000107.5M188 H190 L200 E253 Q254M188-W273 HydrophobicContact CB-CE3 3.93Å; M188-W273 HydrophobicContact CB-CZ3 4.29Å; M188-W273 HydrophobicContact CE-CB 3.69Å; M188-W273 HydrophobicContact CE-CE3 4.38Å; M188-W273 PolarHBondContact SD-N 2.78Å; M188-W273 VanDerWaalsContact SD-N 3.44Å; H190-W273 HydrophobicContact CB-CD2 4.23Å; H190-W273 HydrophobicContact CB-CE3 4.21Å; H190-W273 HydrophobicContact CB-CH2 3.41Å; H190-W273 VanDerWaalsContact CB-CH2 3.41Å; H190-W273 HydrophobicContact CB-CZ2 3.39Å; H190-W273 HydrophobicContact CB-CZ3 3.82Å; H190-W273 AromaticContact CG-CZ2 3.96Å; L200-W273 HydrophobicContact CD1-CB 4.32Å; L200-W273 HydrophobicContact CD2-CB 4.11Å; L200-W273 HydrophobicContact CD2-CD2 4.07Å; L200-W273 HydrophobicContact CD2-CE3 4.33Å; L200-W273 HydrophobicContact CD2-CG 3.96Å; E253-W273 HydrophobicContact CB-CB 4.22Å; E253-W273 HydrophobicContact CB-CG 4.24Å; Q254-W273 PolarHBondContact NE2-O 3.1Å; Q254-W273 PolarHBondContact OE1-O 3.27Å
274E78.8Confident73.1Confident149 Ų149100.5 Ų100.570%0.69655%0.553SS**  trans-89.8121.7169.4-73.1-175.1176.100107.8R272 S276R272-E274 PolarHBondContact O-N 3.46Å; R272-E274 VanDerWaalsContact O-N 3.08Å; E274-S276 PolarHBondContact O-N 3.14Å
275L62Low71.3Confident134 Ų134101.9 Ų101.970%0.70257%0.567SS**  trans-68.757.9164.6-82.6140.3000109.2Q254 S277Q254-L275 HydrophobicContact CG-CD1 4.48Å; L275-S277 PolarHBondContact O-N 3.37Å
276S51Low69.8Low86 Ų86105.2 Ų105.260%0.60158%0.584SS**  trans-93.4102.5-177.4-163.90000110.8E274E274-S276 PolarHBondContact O-N 3.14Å
277S41.5Very low68.4Low95 Ų95103.5 Ų103.566%0.66457%0.566SS**  trans68.781.9152.955.60000118.2L275L275-S277 PolarHBondContact O-N 3.37Å
278Q40.9Very low67Low177 Ų17798.1 Ų98.183%0.82755%0.552SS**  -53.1134128.5-79.5-174.4-14.500106.8T280Q278-T280 VanDerWaalsContact C-N 3.33Å; Q278-T280 PolarHBondContact O-N 3.16Å
279P39.8Very low65.8Low112 Ų11295.7 Ų95.773%0.72754%0.541SS*.  trans-59.8105.9171.224.6-29.3000106.1I281P279-I281 PolarHBondContact O-N 3.39Å
280T47.9Very low64.9Low122 Ų12298 Ų9875%0.74855%0.554SS**  trans-6199163.9-25.60000103.6Q278 P282Q278-T280 VanDerWaalsContact C-N 3.33Å; Q278-T280 PolarHBondContact O-N 3.16Å; T280-P282 VanDerWaalsContact O-N 3.13Å
281I57.6Low63.9Low115 Ų11598.9 Ų98.959%0.5956%0.559SS**  trans-39.6126.4168.5-63.5172000105.3P279 I283 I286P279-I281 PolarHBondContact O-N 3.39Å; I281-I283 VanDerWaalsContact C-N 3.26Å; I281-I283 WeakPolarHBondContact O-CG1 3.12Å; I281-I283 PolarHBondContact O-N 3.4Å; I281-I286 HydrophobicContact CG2-CD1 3.74Å
282P52.7Low62.8Low94 Ų94103.1 Ų103.161%0.6158%0.581SS**  trans-67.992.7-172.727.1-32.7000107.7T280 V284 G285 I286T280-P282 VanDerWaalsContact O-N 3.13Å; P282-V284 PolarHBondContact O-N 2.79Å; P282-G285 PolarHBondContact O-N 2.96Å; P282-I286 PolarHBondContact O-N 2.93Å
283I58.8Low61.9Low109 Ų109100.8 Ų100.856%0.55958%0.579SS**Hα-helixtrans-54.8-29.7179.4-62.9176.7000109.1I281 G285 I286 I287I281-I283 VanDerWaalsContact C-N 3.26Å; I281-I283 WeakPolarHBondContact O-CG1 3.12Å; I281-I283 PolarHBondContact O-N 3.4Å; I283-G285 PolarHBondContact O-N 3.15Å; I283-I286 PolarHBondContact O-N 3.35Å; I283-I287 HydrophobicContact CG2-CD1 3.72Å; I283-I287 HydrophobicContact CG2-CG1 4.23Å; I283-I287 VanDerWaalsContact O-CG1 3.31Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 3.44Å
284V53.7Low61.1Low119 Ų11999.8 Ų99.872%0.72159%0.587SS**Hα-helixtrans-60.8-39.4174.5-175.10000112.8P282 A288P282-V284 PolarHBondContact O-N 2.79Å; V284-A288 VanDerWaalsContact O-CB 3.3Å; V284-A288 WeakPolarHBondContact O-CB 3.49Å; V284-A288 PolarHBondContact O-N 2.96Å
285G56.5Low60.9Low47 Ų4795.4 Ų95.449%0.48558%0.576SS.*Hα-helixtrans-70.3-36.2178.700000112.7P282 I283 G289P282-G285 PolarHBondContact O-N 2.96Å; I283-G285 PolarHBondContact O-N 3.15Å; G285-G289 PolarHBondContact O-N 3.25Å
286I64.8Low61.6Low95 Ų9593.8 Ų93.849%0.48757%0.571SS.*Hα-helixtrans-71-43.2176.3-62175.6000110.4I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.74Å; P282-I286 PolarHBondContact O-N 2.93Å; I283-I286 PolarHBondContact O-N 3.35Å; I286-G289 PolarHBondContact O-N 3.45Å; I286-L290 HydrophobicContact CG2-CD1 3.87Å; I286-L290 HydrophobicContact CG2-CG 4.38Å; I286-L290 WeakPolarHBondContact O-CB 3.34Å; I286-L290 VanDerWaalsContact O-CG 3.28Å; I286-L290 WeakPolarHBondContact O-CG 3.05Å; I286-L290 PolarHBondContact O-N 3Å
287I66.2Low62.7Low96 Ų9694.7 Ų94.749%0.49257%0.568SS.*Hα-helixtrans-64.5-46176.8-66.7171.4000110.7I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.72Å; I283-I287 HydrophobicContact CG2-CG1 4.23Å; I283-I287 VanDerWaalsContact O-CG1 3.31Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 3.44Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3.11Å; I287-L290 PolarHBondContact O-N 3.46Å; I287-V291 HydrophobicContact CG2-CG2 4.26Å; I287-V291 WeakPolarHBondContact O-CB 3.39Å; I287-V291 VanDerWaalsContact O-CG2 3.26Å; I287-V291 WeakPolarHBondContact O-CG2 3.41Å; I287-V291 PolarHBondContact O-N 2.96Å
288A66.8Low64.1Low49 Ų4994.3 Ų94.341%0.40556%0.562SS.*Hα-helixtrans-61.5-42176.900000111.8V284 V291 L292V284-A288 VanDerWaalsContact O-CB 3.3Å; V284-A288 WeakPolarHBondContact O-CB 3.49Å; V284-A288 PolarHBondContact O-N 2.96Å; A288-V291 PolarHBondContact O-N 3.21Å; A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 VanDerWaalsContact O-CG 3.27Å; A288-L292 WeakPolarHBondContact O-CG 3.03Å; A288-L292 PolarHBondContact O-N 2.79Å
289G71.7Confident65.6Low29 Ų2987.8 Ų87.830%0.29954%0.543SS..Hα-helixtrans-62-43.7174.900000113.1G285 I286 I287 L292 L293G285-G289 PolarHBondContact O-N 3.25Å; I286-G289 PolarHBondContact O-N 3.45Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3.11Å; G289-L292 PolarHBondContact O-N 3.41Å; G289-L293 WeakPolarHBondContact O-CB 3.36Å; G289-L293 WeakPolarHBondContact O-CG 3.41Å; G289-L293 PolarHBondContact O-N 3.06Å
290L78.1Confident67.2Low112 Ų11285.3 Ų85.359%0.58653%0.531SS*.Hα-helixtrans-67.6-39.1177.6-74.5170.4000112.5I286 I287 L293 G294I286-L290 HydrophobicContact CG2-CD1 3.87Å; I286-L290 HydrophobicContact CG2-CG 4.38Å; I286-L290 WeakPolarHBondContact O-CB 3.34Å; I286-L290 VanDerWaalsContact O-CG 3.28Å; I286-L290 WeakPolarHBondContact O-CG 3.05Å; I286-L290 PolarHBondContact O-N 3Å; I287-L290 PolarHBondContact O-N 3.46Å; L290-L293 PolarHBondContact O-N 3.25Å; L290-G294 PolarHBondContact O-N 3.44Å
291V75.8Confident68.5Low96 Ų9683.5 Ų83.558%0.58252%0.52SS*.Hα-helixtrans-66-43175.8171.40000110.7I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.26Å; I287-V291 WeakPolarHBondContact O-CB 3.39Å; I287-V291 VanDerWaalsContact O-CG2 3.26Å; I287-V291 WeakPolarHBondContact O-CG2 3.41Å; I287-V291 PolarHBondContact O-N 2.96Å; A288-V291 PolarHBondContact O-N 3.21Å; V291-G294 PolarHBondContact O-N 3.22Å; V291-A295 WeakPolarHBondContact O-CB 3.25Å; V291-A295 PolarHBondContact O-N 3.25Å
292L71.5Confident69.2Low118 Ų11882.1 Ų82.162%0.61852%0.517SS*.Hα-helixtrans-64.7-43.7176.3-74.5169.2000111.8A288 G289 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 VanDerWaalsContact O-CG 3.27Å; A288-L292 WeakPolarHBondContact O-CG 3.03Å; A288-L292 PolarHBondContact O-N 2.79Å; G289-L292 PolarHBondContact O-N 3.41Å; L292-A295 PolarHBondContact O-N 2.84Å; L292-V296 VanDerWaalsContact O-CG2 3.29Å; L292-V296 WeakPolarHBondContact O-CG2 3.45Å; L292-V296 PolarHBondContact O-N 3.12Å
293L73.8Confident70Confident106 Ų10680.2 Ų80.256%0.55551%0.509SS*.Hα-helixtrans-61.4-43.8174.2-82.6160.7000111.6G289 L290 A295 V296 I297G289-L293 WeakPolarHBondContact O-CB 3.36Å; G289-L293 WeakPolarHBondContact O-CG 3.41Å; G289-L293 PolarHBondContact O-N 3.06Å; L290-L293 PolarHBondContact O-N 3.25Å; L293-A295 VanDerWaalsContact C-N 3.34Å; L293-A295 PolarHBondContact O-N 2.98Å; L293-V296 PolarHBondContact O-N 3.47Å; L293-I297 WeakPolarHBondContact O-CB 3.37Å; L293-I297 VanDerWaalsContact O-CG1 3.25Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 3.17Å
294G73.8Confident70.5Confident36 Ų3677.8 Ų77.837%0.37151%0.505SS..Hα-helixtrans-59.5-43.1175.300000112.6L290 V291 T298L290-G294 PolarHBondContact O-N 3.44Å; V291-G294 PolarHBondContact O-N 3.22Å; G294-T298 PolarHBondContact O-N 3.13Å; G294-T298 PolarHBondContact O-OG1 2.82Å
295A74.9Confident71.3Confident56 Ų5676 Ų7646%0.46349%0.494SS..Hα-helixtrans-67.4-39.7177.500000112.8V291 L292 L293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.25Å; V291-A295 PolarHBondContact O-N 3.25Å; L292-A295 PolarHBondContact O-N 2.84Å; L293-A295 VanDerWaalsContact C-N 3.34Å; L293-A295 PolarHBondContact O-N 2.98Å; A295-T298 WeakPolarHBondContact CA-OG1 3.23Å; A295-T298 PolarHBondContact O-OG1 2.69Å; A295-G299 PolarHBondContact O-N 3.3Å
296V77.1Confident71.9Confident100 Ų10079.8 Ų79.861%0.60650%0.501SS*.Hα-helixtrans-66.9-43176.7171.60000110.9L292 L293 G299 A300L292-V296 VanDerWaalsContact O-CG2 3.29Å; L292-V296 WeakPolarHBondContact O-CG2 3.45Å; L292-V296 PolarHBondContact O-N 3.12Å; L293-V296 PolarHBondContact O-N 3.47Å; V296-G299 PolarHBondContact O-N 2.79Å; V296-A300 VanDerWaalsContact O-CB 3.26Å; V296-A300 WeakPolarHBondContact O-CB 3.45Å; V296-A300 PolarHBondContact O-N 3.12Å
297I73.8Confident72Confident105 Ų10584.9 Ų84.954%0.53851%0.514SS..Hα-helixtrans-64.2-45.9177.8-67.3168.5000110.4L293 A300 V301L293-I297 WeakPolarHBondContact O-CB 3.37Å; L293-I297 VanDerWaalsContact O-CG1 3.25Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 3.17Å; I297-A300 PolarHBondContact O-N 2.83Å; I297-V301 HydrophobicContact CG2-CG2 4.46Å; I297-V301 VanDerWaalsContact O-CG2 3.26Å; I297-V301 WeakPolarHBondContact O-CG2 3.31Å; I297-V301 PolarHBondContact O-N 3.36Å
298T70.4Confident71.8Confident88 Ų8890.1 Ų90.154%0.5453%0.527SS..Hα-helixtrans-63.9-42.8176.532.30000112G294 A295 A300 V301 V302G294-T298 PolarHBondContact O-N 3.13Å; G294-T298 PolarHBondContact O-OG1 2.82Å; A295-T298 WeakPolarHBondContact CA-OG1 3.23Å; A295-T298 PolarHBondContact O-OG1 2.69Å; T298-A300 PolarHBondContact O-N 2.87Å; T298-V301 PolarHBondContact O-N 3.18Å; T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.43Å; T298-V302 PolarHBondContact O-N 3.27Å
299G71.9Confident71.4Confident40 Ų4097.1 Ų97.141%0.41254%0.544SS..Hα-helixtrans-60.2-43.1174.400000113.1A295 V296 V302 A303A295-G299 PolarHBondContact O-N 3.3Å; V296-G299 PolarHBondContact O-N 2.79Å; G299-V302 PolarHBondContact O-N 3.46Å; G299-A303 VanDerWaalsContact O-CB 3.3Å; G299-A303 WeakPolarHBondContact O-CB 3.38Å; G299-A303 PolarHBondContact O-N 3.06Å
300A73.5Confident70.5Confident59 Ų59103.9 Ų103.949%0.48857%0.565SS.*Hα-helixtrans-66.5-40.1177.300000112.3V296 I297 T298 A303 A304V296-A300 VanDerWaalsContact O-CB 3.26Å; V296-A300 WeakPolarHBondContact O-CB 3.45Å; V296-A300 PolarHBondContact O-N 3.12Å; I297-A300 PolarHBondContact O-N 2.83Å; T298-A300 PolarHBondContact O-N 2.87Å; A300-A303 PolarHBondContact O-N 3.05Å; A300-A304 VanDerWaalsContact O-CB 3.25Å; A300-A304 WeakPolarHBondContact O-CB 3.37Å; A300-A304 PolarHBondContact O-N 3.39Å
301V74.9Confident69.2Low85 Ų85102.1 Ų102.152%0.51556%0.562SS.*Hα-helixtrans-64.6-45.3175.1171.90000110.7I297 T298 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.46Å; I297-V301 VanDerWaalsContact O-CG2 3.26Å; I297-V301 WeakPolarHBondContact O-CG2 3.31Å; I297-V301 PolarHBondContact O-N 3.36Å; T298-V301 PolarHBondContact O-N 3.18Å; V301-A304 PolarHBondContact O-N 2.9Å; V301-V305 HydrophobicContact CG1-CG2 4.39Å; V301-V305 WeakPolarHBondContact O-CB 3.33Å; V301-V305 VanDerWaalsContact O-CG2 3.24Å; V301-V305 WeakPolarHBondContact O-CG2 3.41Å; V301-V305 PolarHBondContact O-N 3.19Å
302V72.1Confident68Low86 Ų86101.9 Ų101.952%0.52156%0.564SS.*Hα-helixtrans-62.3-44.7176.7173.10000110.9T298 G299 V305 M306T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.43Å; T298-V302 PolarHBondContact O-N 3.27Å; G299-V302 PolarHBondContact O-N 3.46Å; V302-V305 PolarHBondContact O-N 3.2Å; V302-M306 HydrophobicContact CG1-SD 4.18Å; V302-M306 WeakPolarHBondContact O-CB 3.45Å; V302-M306 WeakPolarHBondContact O-CG 3.35Å; V302-M306 PolarHBondContact O-N 3.22Å
303A69.1Low66.8Low54 Ų54103.5 Ų103.545%0.44657%0.573SS.*Hα-helixtrans-62.9-42.4176.600000112.2G299 A300 M306 W307G299-A303 VanDerWaalsContact O-CB 3.3Å; G299-A303 WeakPolarHBondContact O-CB 3.38Å; G299-A303 PolarHBondContact O-N 3.06Å; A300-A303 PolarHBondContact O-N 3.05Å; A303-M306 PolarHBondContact O-N 2.74Å; A303-W307 WeakPolarHBondContact O-CB 2.89Å; A303-W307 PolarHBondContact O-N 3.01Å
304A70.4Confident65.4Low57 Ų57109.3 Ų109.347%0.47159%0.588SS.*Hα-helixtrans-66.1-38.9176.600000112.4A300 V301 W307 R308A300-A304 VanDerWaalsContact O-CB 3.25Å; A300-A304 WeakPolarHBondContact O-CB 3.37Å; A300-A304 PolarHBondContact O-N 3.39Å; V301-A304 PolarHBondContact O-N 2.9Å; A304-W307 PolarHBondContact O-N 3.35Å; A304-R308 PolarHBondContact O-N 2.93Å
305V69.8Low64Low81 Ų81117.8 Ų117.849%0.49162%0.615SS.*Hα-helixtrans-66.9-42.4174.9170.30000111V301 V302 W307 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.39Å; V301-V305 WeakPolarHBondContact O-CB 3.33Å; V301-V305 VanDerWaalsContact O-CG2 3.24Å; V301-V305 WeakPolarHBondContact O-CG2 3.41Å; V301-V305 PolarHBondContact O-N 3.19Å; V302-V305 PolarHBondContact O-N 3.2Å; V305-W307 VanDerWaalsContact C-N 3.35Å; V305-R308 PolarHBondContact O-N 2.85Å; V305-R309 PolarHBondContact O-N 3.07Å
306M70.4Confident62.1Low127 Ų127119.1 Ų119.163%0.62663%0.634SS**Hα-helixtrans-64.5-38.8174.1-74.2-176.667.400112V302 A303 R309 K310V302-M306 HydrophobicContact CG1-SD 4.18Å; V302-M306 WeakPolarHBondContact O-CB 3.45Å; V302-M306 WeakPolarHBondContact O-CG 3.35Å; V302-M306 PolarHBondContact O-N 3.22Å; A303-M306 PolarHBondContact O-N 2.74Å; M306-R309 PolarHBondContact O-N 3.34Å; M306-K310 WeakPolarHBondContact O-CB 3.2Å; M306-K310 PolarHBondContact O-N 3.39Å
307W66.7Low60Low203 Ų203117.9 Ų117.977%0.76964%0.642SS**Hα-helixtrans-65-43.4175.2-160-56000111.1A303 A304 V305 R309 K310 S311A303-W307 WeakPolarHBondContact O-CB 2.89Å; A303-W307 PolarHBondContact O-N 3.01Å; A304-W307 PolarHBondContact O-N 3.35Å; V305-W307 VanDerWaalsContact C-N 3.35Å; W307-R309 VanDerWaalsContact C-N 3.35Å; W307-R309 PolarHBondContact O-N 2.89Å; W307-K310 PolarHBondContact O-N 3.48Å; W307-S311 WeakPolarHBondContact O-CB 3.46Å; W307-S311 PolarHBondContact O-N 3.21Å; W307-S311 PolarHBondContact O-OG 3.36Å; W307-S311 VanDerWaalsContact O-OG 3.07Å
308R61.6Low58Low205 Ų205118.7 Ų118.777%0.77466%0.657SS**Hα-helixtrans-60.7-41.3173.5-89-173.7178.1173.61112.4A304 V305 K310 S311 S312A304-R308 PolarHBondContact O-N 2.93Å; V305-R308 PolarHBondContact O-N 2.85Å; R308-K310 VanDerWaalsContact C-N 3.35Å; R308-S311 WeakPolarHBondContact CA-OG 3.44Å; R308-S311 PolarHBondContact O-N 3.04Å; R308-S311 PolarHBondContact O-OG 3.15Å; R308-S312 PolarHBondContact O-N 3.01Å; R308-S312 VanDerWaalsContact O-N 3.12Å; R308-S312 PolarHBondContact O-OG 2.95Å
309R57.8Low56.4Low197 Ų197125.4 Ų125.474%0.74367%0.674SS**Hα-helixtrans-64.7-35.1173.6-94.1-173.3170.3178.6-2113V305 M306 W307 S312V305-R309 PolarHBondContact O-N 3.07Å; M306-R309 PolarHBondContact O-N 3.34Å; W307-R309 VanDerWaalsContact C-N 3.35Å; W307-R309 PolarHBondContact O-N 2.89Å; R309-S312 PolarHBondContact O-OG 3.18Å
310K52.4Low54.5Low171 Ų171130.6 Ų130.674%0.74370%0.697SS**Hα-helixtrans-78.5-27.3178.4-164.7172.4-177.7178.80112.7M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.2Å; M306-K310 PolarHBondContact O-N 3.39Å; W307-K310 PolarHBondContact O-N 3.48Å; R308-K310 VanDerWaalsContact C-N 3.35Å
311S51.4Low52.7Low75 Ų75136.8 Ų136.852%0.52472%0.716SS.*Hα-helixtrans-81.7-19.2174.959.40000113.7W307 R308 D313W307-S311 WeakPolarHBondContact O-CB 3.46Å; W307-S311 PolarHBondContact O-N 3.21Å; W307-S311 PolarHBondContact O-OG 3.36Å; W307-S311 VanDerWaalsContact O-OG 3.07Å; R308-S311 WeakPolarHBondContact CA-OG 3.44Å; R308-S311 PolarHBondContact O-N 3.04Å; R308-S311 PolarHBondContact O-OG 3.15Å; S311-D313 VanDerWaalsContact C-N 3.31Å
312S49.9Very low50.6Low91 Ų91137.3 Ų137.364%0.63673%0.73SS**THydrogen-bonded Turntrans-78.1-14.2171.452.40000113.6R308 R309R308-S312 PolarHBondContact O-N 3.01Å; R308-S312 VanDerWaalsContact O-N 3.12Å; R308-S312 PolarHBondContact O-OG 2.95Å; R309-S312 PolarHBondContact O-OG 3.18Å
313D47.4Very low48.7Very low151 Ų151137.7 Ų137.781%0.80774%0.742SS**THydrogen-bonded Turntrans-96.98.4-176.1-127.112.1000113.9S311S311-D313 VanDerWaalsContact C-N 3.31Å
314R44.4Very low47.1Very low228 Ų228140.4 Ų140.486%0.8676%0.757SS**SBendtrans-130.958.3178.2-162173.4169.3163.9-3.4111.8
315K43.7Very low45.4Very low214 Ų214142.9 Ų142.993%0.9377%0.772SS**  trans-162.295.9152.3-115.2173-176.9-177.30112
316G35Very low43.8Very low84 Ų84146.2 Ų146.287%0.86679%0.787SS**  trans-178.3123.216000000107.9
317G33.4Very low42.5Very low75 Ų75145.2 Ų145.277%0.77379%0.792SS**  cis-171.7151.4-6.500000105.8
318S32.3Very low41.1Very low122 Ų122139.5 Ų139.585%0.85379%0.788SS**  trans-133.8122.9162.9-175.60000107.5
319Y35.8Very low40.1Very low228 Ų228139.3 Ų139.389%0.89480%0.796SS**  trans-80.7131.9179.2-80.6-92.3000110.2
320T32.6Very low38.9Very low149 Ų149132.8 Ų132.891%0.91479%0.79SS**  trans-143.5141.7142.630.70000109.9
321Q34.6Very low38.4Very low189 Ų189130 Ų13088%0.88379%0.792SS**  trans-95.4156.9-165.1177.2-178.2-4.500112.6
322A32.1Very low38Very low97 Ų97133 Ų13380%0.80280%0.802SS**  trans82.5139.4163.200000117.5
323A32.1Very low37.6Very low93 Ų93134.2 Ų134.277%0.76981%0.806SS**  cis-155.5151.114.800000113
324S35.6Very low37.4Very low111 Ų111131.7 Ų131.778%0.77680%0.8SS**  trans25.6118.1136170.10000120.9
325S34.5Very low37.3Very low110 Ų110128.1 Ų128.177%0.76980%0.797SS**  152.911911750.50000108.2
326D37Very low37.3Very low151 Ų151123.6 Ų123.681%0.80779%0.787SS**  106.7140.560.1-147.23000109.8
327S41.3Very low37.6Very low105 Ų105123.5 Ų123.573%0.73478%0.779SS**  trans70.2114.2163.747.50000122.6
328A38.5Very low38.1Very low83 Ų83126 Ų12669%0.68678%0.783SS**  96126.8115.200000121.6
329Q39.8Very low38.5Very low201 Ų201129.2 Ų129.294%0.93978%0.781SS**  trans58.2132.4141.1-71.2171.8-25.800117.7
330G33.8Very low39Very low60 Ų60128.3 Ų128.362%0.61980%0.799SS**  cis139.6137.522.200000107.1
331S40.8Very low39.3Very low114 Ų114127.3 Ų127.380%0.79779%0.793SS**  trans66.6150.4157.3-27.60000115.9
332D43.3Very low39.6Very low137 Ų137124.1 Ų124.173%0.73379%0.789SS**  cis-163.8141.48-112.2-24.7000105.2
333V40.8Very low40Very low117 Ų117125.6 Ų125.671%0.70979%0.788SS**  60.4122.997.91790000111.8
334S43.3Very low40.5Very low97 Ų97127.5 Ų127.568%0.67879%0.789SS**  -165143.757.1-52.60000109.1
335L43.4Very low40.8Very low153 Ų153128.5 Ų128.580%0.80179%0.79SS**  44.2134.184.9-70.2166.8000113
336T43Very low41.2Very low119 Ų119129.7 Ų129.773%0.7379%0.791SS**  cis-173.9143.146.3-19.50000109.8
337A42.6Very low41.5Very low83 Ų83128.2 Ų128.269%0.68679%0.79SS**  72.2118.811400000117.6
338C42.6Very low41.5Very low127 Ų127130 Ų13086%0.85880%0.795SS**  78.4121.872.2-89.80000115.4
339K40.6Very low41.7Very low190 Ų190133.9 Ų133.983%0.82680%0.804SS**  -179.2135.9120.1-106.3176.5172.5173.30109.1
340V46.8Very low41.9Very low209 Ų209127.8 Ų127.8100%1.26779%0.791SS**  55.2098.4-175.60000112.4

Retrieved 340 of 340 residues in 1706.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).