A0A060VHG8_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VHG8, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S93.2Very high97.9Very high108 Ų10836.5 Ų36.576%0.75520%0.203SC*.  0158.2040.60000107.4V102S1-V102 WeakPolarHBondContact CA-O 3.3Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.29Å
2H96.8Very high97.9Very high33 Ų3334.9 Ų34.915%0.15320%0.197CC..EExtended strand (participates in β ladder)trans-135.8161.2179.7-63.8-78.2000111.1D28 D101 V102 W106 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 2.7Å; H2-D28 IonicContact CG-OD2 2.73Å; H2-D28 IonicContact ND1-OD1 2.78Å; H2-D28 IonicContact ND1-OD2 3.02Å; H2-D28 PolarHBondContact ND1-OD2 3.31Å; H2-D101 CarbonylContact O-C 3.57Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; H2-V102 HydrophobicContact CB-CG2 3.98Å; H2-V102 PolarHBondContact N-O 3.22Å; H2-V102 PolarHBondContact O-N 3.27Å; H2-W106 AromaticContact CD2-CH2 3.99Å; H2-W106 AromaticContact CD2-CZ3 3.96Å; H2-L167 HydrophobicContact CB-CD1 4.48Å; H2-L171 HydrophobicContact CB-CD1 3.46Å; H2-L171 VanDerWaalsContact CB-CD1 3.46Å; H2-L171 HydrophobicContact CB-CD2 4.36Å
3S97.9Very high97.7Very high23 Ų2337.5 Ų37.516%0.16120%0.202CC..EExtended strand (participates in β ladder)trans-138.8150.9179.566.10000112.1V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.44Å; S3-V27 WeakPolarHBondContact O-CA 3.35Å; S3-D28 PolarHBondContact N-OD1 2.88Å; S3-D28 PolarHBondContact O-N 3.46Å; S3-D28 PolarHBondContact OG-OD1 2.91Å; S3-C100 CarbonylContact C-O 3.46Å; S3-C100 WeakPolarHBondContact CA-O 3.49Å; S3-D101 WeakPolarHBondContact CB-OD1 3.37Å
4M98.6Very high97.3Very high0 Ų038.5 Ų38.50%021%0.211CC..EExtended strand (participates in β ladder)trans-121.9123166.3-173.6172.157.900108.6Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.08Å; M4-Y6 HydrophobicContact CG-CE2 3.99Å; M4-Y6 HydrophobicContact SD-CE2 3.87Å; M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.46Å; M4-V27 HydrophobicContact CG-CG2 4.44Å; M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.35Å; M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.41Å; M4-C100 PolarHBondContact N-O 2.95Å; M4-C100 PolarHBondContact O-N 3.25Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.26Å; M4-C163 WeakPolarHBondContact CE-O 3.42Å; M4-C163 WeakPolarHBondContact CE-SG 3.29Å; M4-W166 HydrophobicContact CE-CB 3.99Å; M4-W166 HydrophobicContact SD-CB 4.34Å; M4-L167 HydrophobicContact CB-CB 4.13Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.19Å; M4-L167 HydrophobicContact CB-CG 4.32Å; M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.51Å; M4-Y170 VanDerWaalsContact SD-CE2 3.51Å
5R98.6Very high96.8Very high46 Ų4641.9 Ų41.917%0.17426%0.259CS..EExtended strand (participates in β ladder)trans-130.4135.2-177.8-56.2-62179.877.16.4111.1F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.97Å; R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.42Å; R5-Y26 PolarHBondContact N-O 3Å; R5-Y26 PolarHBondContact O-N 3.11Å; R5-D101 IonicContact CZ-OD1 2.81Å; R5-D101 IonicContact NE-OD1 3.12Å; R5-D101 PolarHBondContact NE-OD1 3.49Å; R5-D101 VanDerWaalsContact NH2-CG 3.27Å; R5-D101 IonicContact NH2-OD1 3.4Å; R5-D101 PolarHBondContact NH2-OD1 2.89Å; R5-D101 IonicContact NH2-OD2 3.71Å; R5-D101 PolarHBondContact NH2-OD2 3.44Å; R5-Y112 VanDerWaalsContact CZ-CE2 3.42Å; R5-Y112 PolarHBondContact NH2-OH 3.21Å
6Y98.8Very high96.5Very high8 Ų852.8 Ų52.83%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-113.7137.4170.5-68.2-89.5000109.9M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.08Å; M4-Y6 HydrophobicContact CG-CE2 3.99Å; M4-Y6 HydrophobicContact SD-CE2 3.87Å; Y6-F8 HydrophobicContact CD1-CE1 4.37Å; Y6-V24 CarbonylContact C-O 3.55Å; Y6-V24 WeakPolarHBondContact CA-O 3.29Å; Y6-F32 AromaticContact CE1-CZ 3.86Å; Y6-F32 HydrophobicContact CE1-CZ 3.86Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.48Å; Y6-V33 HydrophobicContact CE1-CG2 3.96Å; Y6-M97 WeakPolarHBondContact O-CA 3.37Å; Y6-Y98 HydrophobicContact CD2-CD2 4.48Å; Y6-Y98 AromaticContact CD2-CE2 3.72Å; Y6-Y98 HydrophobicContact CD2-CE2 3.72Å; Y6-Y98 AromaticContact CD2-CZ 3.74Å; Y6-Y98 HydrophobicContact CE2-CE2 4.45Å; Y6-Y98 HydrophobicContact CG-CE1 4.25Å; Y6-Y98 HydrophobicContact CG-CE2 4.24Å; Y6-Y98 AromaticContact CG-CZ 3.79Å; Y6-Y98 PolarHBondContact N-O 2.73Å; Y6-Y98 PolarHBondContact O-N 2.94Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å
7F98.8Very high96.2Very high85 Ų8553.2 Ų53.237%0.37331%0.312SS..EExtended strand (participates in β ladder)trans-124.4119.5178.7-56.8-97.8000109.3R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.97Å; F7-A23 WeakPolarHBondContact O-CA 3.45Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 3.44Å; F7-V24 PolarHBondContact O-N 2.89Å; F7-Y26 HydrophobicContact CD2-CD2 4.15Å; F7-Y26 HydrophobicContact CE2-CD2 4.16Å; F7-R96 WeakPolarHBondContact CA-O 3.4Å; F7-M97 HydrophobicContact CD1-CB 3.94Å; F7-M97 HydrophobicContact CD1-CG 3.58Å; F7-M97 HydrophobicContact CE1-CB 4.11Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CG-CG 4.36Å; F7-M97 HydrophobicContact CZ-CG 3.94Å
8F98.7Very high96.1Very high5 Ų555.3 Ų55.32%0.02232%0.319CS..EExtended strand (participates in β ladder)trans-113.1134.2177.5-57.3-14.9000109.2Y6 F21 I22 A23 H69 H73 Q95 R96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.37Å; F8-F21 HydrophobicContact CB-CE2 3.87Å; F8-F21 HydrophobicContact CB-CZ 3.79Å; F8-F21 HydrophobicContact CD1-CZ 4.34Å; F8-F21 HydrophobicContact CD2-CE2 4.5Å; F8-F21 AromaticContact CD2-CZ 3.95Å; F8-F21 HydrophobicContact CD2-CZ 3.95Å; F8-F21 HydrophobicContact CG-CE2 4.33Å; F8-F21 AromaticContact CG-CZ 3.78Å; F8-F21 HydrophobicContact CG-CZ 3.78Å; F8-I22 CarbonylContact C-O 3.6Å; F8-I22 WeakPolarHBondContact CA-O 3.47Å; F8-A23 HydrophobicContact CD1-CB 3.27Å; F8-A23 HydrophobicContact CE1-CB 3.5Å; F8-A23 VanDerWaalsContact CE1-CB 3.5Å; F8-A23 HydrophobicContact CG-CB 4.19Å; F8-H69 HydrophobicContact CD2-CB 4.15Å; F8-H69 HydrophobicContact CE2-CB 3.87Å; F8-H69 AromaticContact CE2-CD2 3.48Å; F8-H69 VanDerWaalsContact CE2-CD2 3.48Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.27Å; F8-H69 AromaticContact CE2-CG 3.62Å; F8-H69 AromaticContact CZ-CD2 3.99Å; F8-H73 AromaticContact CD2-NE2 3.94Å; F8-Q95 CarbonylContact O-C 3.58Å; F8-Q95 VanDerWaalsContact O-CA 3.27Å; F8-Q95 WeakPolarHBondContact O-CA 3.4Å; F8-R96 HydrophobicContact CB-CB 4.32Å; F8-R96 PolarHBondContact N-O 3.18Å; F8-R96 PolarHBondContact O-N 2.7Å; F8-Y98 HydrophobicContact CD2-CE1 4.25Å; F8-Y98 HydrophobicContact CE1-CE1 4.14Å; F8-Y98 AromaticContact CE2-CE1 3.55Å; F8-Y98 HydrophobicContact CE2-CE1 3.55Å; F8-Y98 AromaticContact CZ-CE1 3.5Å; F8-Y98 HydrophobicContact CZ-CE1 3.5Å; F8-Y98 VanDerWaalsContact CZ-CE1 3.5Å; F8-Y98 AromaticContact CZ-CZ 3.89Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.46Å
9T98.8Very high96.1Very high43 Ų4353.7 Ų53.726%0.26431%0.31SS..EExtended strand (participates in β ladder)trans-131126.5176.4-58.70000109V11 F21 I22 T93 V94 Q95T9-V11 HydrophobicContact CG2-CG2 4.11Å; T9-F21 WeakPolarHBondContact O-CA 3.32Å; T9-I22 PolarHBondContact N-O 2.94Å; T9-I22 PolarHBondContact O-N 3.21Å; T9-T93 HydrophobicContact CG2-CG2 3.89Å; T9-V94 WeakPolarHBondContact CA-O 3.4Å; T9-Q95 HydrophobicContact CG2-CG 4.06Å
10S98.6Very high96.2Very high1 Ų155.6 Ų55.61%0.00731%0.312CS..EExtended strand (participates in β ladder)trans-119.1127.1173.5-164.20000109.6R20 L77 T93 V94S10-R20 CarbonylContact C-O 3.57Å; S10-R20 VanDerWaalsContact CA-O 3.27Å; S10-R20 WeakPolarHBondContact CA-O 3.3Å; S10-L77 VanDerWaalsContact OG-CD1 3.28Å; S10-L77 WeakPolarHBondContact OG-CD1 3.31Å; S10-T93 CarbonylContact O-C 3.52Å; S10-T93 VanDerWaalsContact O-CA 3.3Å; S10-T93 WeakPolarHBondContact O-CA 3.34Å; S10-V94 PolarHBondContact N-O 3.29Å; S10-V94 PolarHBondContact O-N 2.92Å
11V98.4Very high96.3Very high49 Ų4953 Ų5330%0.29730%0.297SS..EExtended strand (participates in β ladder)trans-118.7116.6179.8-173.90000108.6T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.11Å; V11-P19 CarbonylContact O-C 3.53Å; V11-P19 WeakPolarHBondContact O-CA 3.28Å; V11-P19 WeakPolarHBondContact O-CB 3.35Å; V11-R20 PolarHBondContact N-O 2.84Å; V11-R20 PolarHBondContact O-N 3.16Å; V11-H92 WeakPolarHBondContact CA-O 3.49Å; V11-T93 HydrophobicContact CG2-CG2 4.15Å
12S97.4Very high96.6Very high18 Ų1849.8 Ų49.813%0.12627%0.272CS..  trans-67.1148.9175.571.60000110.9S91 H92S12-S91 PolarHBondContact O-OG 2.84Å; S12-H92 PolarHBondContact N-O 3.39Å; S12-H92 PolarHBondContact OG-N 2.91Å; S12-H92 PolarHBondContact OG-O 3.44Å
13R96.1Very high96.7Very high69 Ų6948.3 Ų48.326%0.2627%0.265SS..  trans-133.572-176.4-62.3-175.3-76.6-162.3-10.1110.7G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.44Å; R13-R16 HydrophobicContact CB-CB 4.07Å; R13-R16 PolarHBondContact O-N 3.48Å; R13-E18 PolarHBondContact NE-O 2.87Å; R13-E18 PolarHBondContact NH2-O 3.41Å; R13-D38 IonicContact CZ-OD1 3.63Å; R13-D38 IonicContact CZ-OD2 3.26Å; R13-D38 IonicContact NH1-OD1 3.29Å; R13-D38 PolarHBondContact NH1-OD1 3.34Å; R13-D38 IonicContact NH1-OD2 2.7Å; R13-D38 PolarHBondContact NH1-OD2 3.48Å; R13-D38 IonicContact NH2-OD1 3.97Å; R13-D38 PolarHBondContact NH2-OD1 2.91Å; R13-D38 IonicContact NH2-OD2 3.51Å
14P91.7Very high96.7Very high51 Ų5148.3 Ų48.333%0.33126%0.264SS..THydrogen-bonded Turntrans-50.4126.3-177-26.434.1000112.2R16 E88 G90P14-R16 PolarHBondContact O-N 3.3Å; P14-E88 WeakPolarHBondContact CB-O 3.3Å; P14-E88 WeakPolarHBondContact CG-O 3.43Å; P14-G90 WeakPolarHBondContact CG-O 3.3Å
15G89.8Confident96.7Very high90 Ų9048.3 Ų48.393%0.92826%0.264SS*.THydrogen-bonded Turntrans70.85.4-178.800000115.9R13R13-G15 PolarHBondContact O-N 3.44Å
16R92.1Very high96.7Very high215 Ų21549.4 Ų49.481%0.81127%0.268SS*.SBendtrans-126.324.3-178.1-59.9-178.3-178.7-175.10.6113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.07Å; R13-R16 PolarHBondContact O-N 3.48Å; P14-R16 PolarHBondContact O-N 3.3Å
17G91.3Very high96.7Very high60 Ų6049 Ų4962%0.61927%0.267SS*.SBendtrans94.7-157177.100000113.9
18E94.1Very high96.6Very high92 Ų9246.4 Ų46.443%0.4326%0.257SS..SBendtrans-68.6153.2-177.4-66.5-62.4164.400112.4R13 R20 R74R13-E18 PolarHBondContact NE-O 2.87Å; R13-E18 PolarHBondContact NH2-O 3.41Å; E18-R20 PolarHBondContact O-N 3.47Å; E18-R74 VanDerWaalsContact CD-NH2 3.33Å; E18-R74 IonicContact OE1-CZ 3.51Å; E18-R74 IonicContact OE1-NH1 3.28Å; E18-R74 PolarHBondContact OE1-NH1 3.38Å; E18-R74 IonicContact OE1-NH2 3.46Å; E18-R74 PolarHBondContact OE1-NH2 2.97Å; E18-R74 WeakPolarHBondContact OE2-CD 3.25Å; E18-R74 IonicContact OE2-CZ 2.7Å; E18-R74 IonicContact OE2-NE 2.76Å; E18-R74 PolarHBondContact OE2-NE 3.4Å; E18-R74 IonicContact OE2-NH1 3.53Å; E18-R74 PolarHBondContact OE2-NH1 2.88Å; E18-R74 IonicContact OE2-NH2 3.22Å; E18-R74 PolarHBondContact OE2-NH2 3.3Å
19P96.9Very high96.4Very high24 Ų2449.4 Ų49.416%0.15627%0.273CS..PPolyproline II helixtrans-52.7139.5171.7-25.335000112V11 R74 L77V11-P19 CarbonylContact O-C 3.53Å; V11-P19 WeakPolarHBondContact O-CA 3.28Å; V11-P19 WeakPolarHBondContact O-CB 3.35Å; P19-R74 HydrophobicContact CG-CG 4.32Å; P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.66Å
20R98.1Very high96.3Very high92 Ų9248.4 Ų48.435%0.34727%0.267SS..EExtended strand (participates in β ladder)trans-77.3126.2171.9-171.4175.6178.4-176.1-1.7108.4S10 V11 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.57Å; S10-R20 VanDerWaalsContact CA-O 3.27Å; S10-R20 WeakPolarHBondContact CA-O 3.3Å; V11-R20 PolarHBondContact N-O 2.84Å; V11-R20 PolarHBondContact O-N 3.16Å; E18-R20 PolarHBondContact O-N 3.47Å; R20-I22 HydrophobicContact CG-CG1 4.35Å; R20-D36 IonicContact CZ-OD1 3.55Å; R20-D36 IonicContact CZ-OD2 3.79Å; R20-D36 IonicContact NE-OD1 2.73Å; R20-D36 PolarHBondContact NE-OD1 2.93Å; R20-D36 VanDerWaalsContact NE-OD1 3.15Å; R20-D36 IonicContact NE-OD2 3.15Å; R20-D36 IonicContact NH2-OD1 3.65Å; R20-D36 IonicContact NH2-OD2 3.55Å; R20-D36 PolarHBondContact NH2-OD2 3.45Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.41Å; R20-D38 IonicContact NE-OD2 3.02Å
21F98.6Very high96.2Very high0 Ų050.7 Ų50.70%028%0.278CS..EExtended strand (participates in β ladder)trans-114.6124.9176.8-178.2-92.3000110.5F8 T9 A23 F35 S37 V66 H69 S70 H73F8-F21 HydrophobicContact CB-CE2 3.87Å; F8-F21 HydrophobicContact CB-CZ 3.79Å; F8-F21 HydrophobicContact CD1-CZ 4.34Å; F8-F21 HydrophobicContact CD2-CE2 4.5Å; F8-F21 AromaticContact CD2-CZ 3.95Å; F8-F21 HydrophobicContact CD2-CZ 3.95Å; F8-F21 HydrophobicContact CG-CE2 4.33Å; F8-F21 AromaticContact CG-CZ 3.78Å; F8-F21 HydrophobicContact CG-CZ 3.78Å; T9-F21 WeakPolarHBondContact O-CA 3.32Å; F21-A23 HydrophobicContact CE1-CB 3.78Å; F21-A23 HydrophobicContact CZ-CB 4.22Å; F21-F35 AromaticContact CD1-CD1 3.82Å; F21-F35 HydrophobicContact CD1-CD1 3.82Å; F21-F35 AromaticContact CD1-CE1 3.87Å; F21-F35 HydrophobicContact CD1-CE1 3.87Å; F21-F35 HydrophobicContact CE1-CD1 4.19Å; F21-S37 PolarHBondContact N-OG 2.86Å; F21-S37 PolarHBondContact O-N 3.48Å; F21-S37 PolarHBondContact O-OG 3.47Å; F21-V66 HydrophobicContact CE1-CG2 3.7Å; F21-V66 HydrophobicContact CZ-CG2 4.5Å; F21-H69 HydrophobicContact CZ-CB 4.13Å; F21-S70 WeakPolarHBondContact CB-OG 3.38Å; F21-H73 HydrophobicContact CD2-CB 4.04Å; F21-H73 HydrophobicContact CE2-CB 4.04Å; F21-H73 AromaticContact CE2-CD2 3.89Å; F21-H73 AromaticContact CE2-CG 3.66Å; F21-H73 AromaticContact CE2-ND1 3.8Å
22I98.8Very high96.2Very high42 Ų4248.4 Ų48.422%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-121.7132175.8-58.2173.9000107.8F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.6Å; F8-I22 WeakPolarHBondContact CA-O 3.47Å; T9-I22 PolarHBondContact N-O 2.94Å; T9-I22 PolarHBondContact O-N 3.21Å; R20-I22 HydrophobicContact CG-CG1 4.35Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; I22-F35 WeakPolarHBondContact CA-O 3.45Å
23A98.8Very high96.2Very high1 Ų147.6 Ų47.61%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-125.3138.2171.600000110.2F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.45Å; F8-A23 HydrophobicContact CD1-CB 3.27Å; F8-A23 HydrophobicContact CE1-CB 3.5Å; F8-A23 VanDerWaalsContact CE1-CB 3.5Å; F8-A23 HydrophobicContact CG-CB 4.19Å; F21-A23 HydrophobicContact CE1-CB 3.78Å; F21-A23 HydrophobicContact CZ-CB 4.22Å; A23-R34 CarbonylContact O-C 3.57Å; A23-R34 WeakPolarHBondContact O-CA 3.27Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.42Å; A23-F35 PolarHBondContact O-N 3.3Å; A23-V66 HydrophobicContact CB-CG2 3.62Å
24V98.8Very high96.4Very high23 Ų2347.5 Ų47.514%0.13926%0.258CS..EExtended strand (participates in β ladder)trans-134.8144.7174.9-62.80000109.8Y6 F7 I22 Y26 V33 R34Y6-V24 CarbonylContact C-O 3.55Å; Y6-V24 WeakPolarHBondContact CA-O 3.29Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 3.44Å; F7-V24 PolarHBondContact O-N 2.89Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; V24-Y26 HydrophobicContact CB-CE2 4.03Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; V24-V33 WeakPolarHBondContact CA-O 3.34Å; V24-R34 HydrophobicContact CG1-CG 4.23Å
25G98.7Very high96.7Very high0 Ų045.4 Ų45.40%024%0.243CC..EExtended strand (participates in β ladder)trans-122.3138.6176.200000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.42Å; G25-Q31 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 WeakPolarHBondContact O-CG 3.34Å; G25-F32 WeakPolarHBondContact O-CD1 3.34Å; G25-F32 PolarHBondContact O-N 2.92Å; G25-V33 PolarHBondContact N-O 3.39Å; G25-V33 VanDerWaalsContact N-O 3.09Å; G25-V33 PolarHBondContact O-N 2.91Å
26Y98.6Very high97.1Very high69 Ų6942 Ų4227%0.27120%0.204SC..EExtended strand (participates in β ladder)trans-125.7141.3178.9-74.1-102000110.6M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.46Å; R5-Y26 PolarHBondContact N-O 3Å; R5-Y26 PolarHBondContact O-N 3.11Å; F7-Y26 HydrophobicContact CD2-CD2 4.15Å; F7-Y26 HydrophobicContact CE2-CD2 4.16Å; V24-Y26 HydrophobicContact CB-CE2 4.03Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; Y26-T30 WeakPolarHBondContact CA-O 3.45Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CG 4.41Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.19Å; Y26-Q31 HydrophobicContact CE2-CB 4.15Å; Y26-Q31 HydrophobicContact CE2-CG 3.92Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27V98.3Very high97.4Very high0 Ų032.5 Ų32.50%017%0.171CC..EExtended strand (participates in β ladder)trans-108.5119157.1176.40000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.44Å; S3-V27 WeakPolarHBondContact O-CA 3.35Å; M4-V27 HydrophobicContact CG-CG2 4.44Å; V27-D29 PolarHBondContact O-N 2.99Å; V27-T30 PolarHBondContact N-O 3.46Å; V27-T30 PolarHBondContact O-N 3.37Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4.04Å; V27-W50 HydrophobicContact CG2-CH2 3.99Å; V27-L167 HydrophobicContact CG1-CD1 3.63Å; V27-L167 HydrophobicContact CG2-CD1 4.24Å; V27-Y170 HydrophobicContact CG2-CD2 3.98Å; V27-L171 HydrophobicContact CG1-CD2 3.91Å; V27-L171 HydrophobicContact CG1-CG 4.19Å; V27-L178 HydrophobicContact CB-CD1 4.28Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å
28D96.1Very high97.7Very high31 Ų3133.5 Ų33.517%0.16616%0.162CC..THydrogen-bonded Turntrans48.5-122.7-166.1-54.3-39.4000110.6H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 2.7Å; H2-D28 IonicContact CG-OD2 2.73Å; H2-D28 IonicContact ND1-OD1 2.78Å; H2-D28 IonicContact ND1-OD2 3.02Å; H2-D28 PolarHBondContact ND1-OD2 3.31Å; S3-D28 PolarHBondContact N-OD1 2.88Å; S3-D28 PolarHBondContact O-N 3.46Å; S3-D28 PolarHBondContact OG-OD1 2.91Å
29D94.6Very high97.8Very high67 Ų6730.5 Ų30.536%0.35815%0.153SC..THydrogen-bonded Turntrans-93.77.2-180-53.1-57000113.3V27 A210 F240V27-D29 PolarHBondContact O-N 2.99Å; D29-A210 HydrophobicContact CB-CB 4.12Å; D29-A210 VanDerWaalsContact CG-CB 3.47Å; D29-A210 VanDerWaalsContact OD2-CB 3.32Å; D29-A210 WeakPolarHBondContact OD2-CB 3.32Å; D29-A210 PolarHBondContact OD2-N 3.49Å; D29-F240 HydrophobicContact CB-CE2 3.85Å; D29-F240 HydrophobicContact CB-CZ 3.54Å
30T96.2Very high97.8Very high22 Ų2234.9 Ų34.914%0.13519%0.19CC..EExtended strand (participates in β ladder)trans-104.9115.6-175.8-60.60000111.8Y26 V27 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.45Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 3.46Å; V27-T30 PolarHBondContact O-N 3.37Å; T30-F32 PolarHBondContact O-N 3.49Å; T30-L178 HydrophobicContact CG2-CD2 4.03Å; T30-Y208 PolarHBondContact OG1-OH 2.62Å; T30-Y208 VanDerWaalsContact OG1-OH 3.13Å
31Q97.3Very high97.6Very high50 Ų5032.9 Ų32.923%0.23419%0.191CC..EExtended strand (participates in β ladder)trans-68.7130.1173.7-166.3179.90.400110.4G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 WeakPolarHBondContact O-CG 3.34Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CG 4.41Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.19Å; Y26-Q31 HydrophobicContact CE2-CB 4.15Å; Y26-Q31 HydrophobicContact CE2-CG 3.92Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 3Å; Q31-V33 VanDerWaalsContact NE2-O 3.14Å; Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.39Å
32F98.2Very high97.4Very high0 Ų037.2 Ų37.20%021%0.211CC..EExtended strand (participates in β ladder)trans-120-22.3179.774.9-83000114.3M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.35Å; Y6-F32 AromaticContact CE1-CZ 3.86Å; Y6-F32 HydrophobicContact CE1-CZ 3.86Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.48Å; G25-F32 WeakPolarHBondContact O-CD1 3.34Å; G25-F32 PolarHBondContact O-N 2.92Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4.04Å; T30-F32 PolarHBondContact O-N 3.49Å; F32-R47 PolarHBondContact O-N 3.01Å; F32-A48 HydrophobicContact CB-CB 4.22Å; F32-W50 HydrophobicContact CB-CH2 3.14Å; F32-W50 HydrophobicContact CB-CZ2 3.34Å; F32-W50 HydrophobicContact CB-CZ3 4.02Å; F32-W50 HydrophobicContact CD1-CH2 4.15Å; F32-W50 AromaticContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CZ3 4.22Å; F32-W50 AromaticContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CH2 3.5Å; F32-W50 VanDerWaalsContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CZ2 4.15Å; F32-W50 HydrophobicContact CG-CZ3 4.27Å; F32-I51 HydrophobicContact CD2-CB 4.49Å; F32-I51 HydrophobicContact CD2-CD1 4.04Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.43Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.47Å; F32-Y170 HydrophobicContact CE2-CD2 4.26Å; F32-Y170 AromaticContact CE2-CE2 3.68Å; F32-Y170 HydrophobicContact CE2-CE2 3.68Å; F32-Y170 AromaticContact CE2-CZ 3.99Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.79Å; F32-Y170 HydrophobicContact CZ-CE2 3.79Å
33V98.5Very high97.4Very high2 Ų242.6 Ų42.61%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-139.5153.6176.1-72.60000112.8Y6 V24 G25 Q31 M44 E45 W59Y6-V33 HydrophobicContact CE1-CG2 3.96Å; V24-V33 WeakPolarHBondContact CA-O 3.34Å; G25-V33 PolarHBondContact N-O 3.39Å; G25-V33 VanDerWaalsContact N-O 3.09Å; G25-V33 PolarHBondContact O-N 2.91Å; Q31-V33 PolarHBondContact NE2-O 3Å; Q31-V33 VanDerWaalsContact NE2-O 3.14Å; V33-M44 HydrophobicContact CB-CG 4.07Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.11Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.14Å; V33-E45 WeakPolarHBondContact CA-O 3.34Å; V33-W59 HydrophobicContact CG1-CH2 4.12Å; V33-W59 HydrophobicContact CG1-CZ3 3.92Å
34R98.6Very high97.4Very high67 Ų6743.1 Ų43.125%0.25323%0.231SC..EExtended strand (participates in β ladder)trans-144.5143.3172.4-179.2174170.797.36.1111.3A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.57Å; A23-R34 WeakPolarHBondContact O-CA 3.27Å; V24-R34 HydrophobicContact CG1-CG 4.23Å; R34-D36 IonicContact NH2-OD2 3.18Å; R34-D36 PolarHBondContact NH2-OD2 2.86Å; R34-M44 VanDerWaalsContact C-SD 3.56Å; R34-E45 PolarHBondContact N-O 3.04Å; R34-E45 PolarHBondContact O-N 3.49Å; R34-R47 HydrophobicContact CB-CG 3.84Å
35F98.8Very high97.3Very high6 Ų644.8 Ų44.83%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-130143164.8175.5-85.5000109.6F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.82Å; F21-F35 HydrophobicContact CD1-CD1 3.82Å; F21-F35 AromaticContact CD1-CE1 3.87Å; F21-F35 HydrophobicContact CD1-CE1 3.87Å; F21-F35 HydrophobicContact CE1-CD1 4.19Å; I22-F35 WeakPolarHBondContact CA-O 3.45Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.42Å; A23-F35 PolarHBondContact O-N 3.3Å; F35-Q42 HydrophobicContact CE2-CB 4.46Å; F35-Q42 WeakPolarHBondContact CE2-O 3.25Å; F35-R43 WeakPolarHBondContact CD2-O 3.25Å; F35-M44 HydrophobicContact CB-CE 4.29Å; F35-M44 HydrophobicContact CB-SD 3.94Å; F35-V66 HydrophobicContact CB-CG1 4.14Å; F35-V66 HydrophobicContact CB-CG2 3.78Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.92Å; F35-V66 HydrophobicContact CD2-CG1 3.39Å; F35-V66 HydrophobicContact CD2-CG2 4.32Å; F35-V66 HydrophobicContact CE2-CG1 3.78Å; F35-V66 HydrophobicContact CG-CB 4.43Å; F35-V66 HydrophobicContact CG-CG1 3.71Å; F35-V66 HydrophobicContact CG-CG2 3.75Å; F35-V66 HydrophobicContact CZ-CG1 4.42Å; F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4.19Å
36D98.5Very high97.3Very high20 Ų2046.9 Ų46.911%0.10725%0.251CS..EExtended strand (participates in β ladder)trans-137.2121.6173.6-162.6-31.1000108.9R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.55Å; R20-D36 IonicContact CZ-OD2 3.79Å; R20-D36 IonicContact NE-OD1 2.73Å; R20-D36 PolarHBondContact NE-OD1 2.93Å; R20-D36 VanDerWaalsContact NE-OD1 3.15Å; R20-D36 IonicContact NE-OD2 3.15Å; R20-D36 IonicContact NH2-OD1 3.65Å; R20-D36 IonicContact NH2-OD2 3.55Å; R20-D36 PolarHBondContact NH2-OD2 3.45Å; R34-D36 IonicContact NH2-OD2 3.18Å; R34-D36 PolarHBondContact NH2-OD2 2.86Å; D36-D38 PolarHBondContact O-N 2.93Å; D36-D38 PolarHBondContact OD1-N 2.95Å; D36-A39 HydrophobicContact CB-CB 4.15Å; D36-A39 WeakPolarHBondContact O-CB 3.13Å; D36-A39 PolarHBondContact O-N 3.3Å; D36-A39 VanDerWaalsContact O-N 3.1Å
37S97.9Very high97.3Very high15 Ų1548.5 Ų48.511%0.10526%0.257CS..THydrogen-bonded Turntrans-63.1-23.9-17964.20000113.1F21 Q42F21-S37 PolarHBondContact N-OG 2.86Å; F21-S37 PolarHBondContact O-N 3.48Å; F21-S37 PolarHBondContact O-OG 3.47Å; S37-Q42 PolarHBondContact O-NE2 3.46Å
38D97.1Very high97.1Very high81 Ų8148.8 Ų48.843%0.43326%0.259SS..THydrogen-bonded Turntrans-87.5-8.5179.9-690.6000112.4R13 R20 D36R13-D38 IonicContact CZ-OD1 3.63Å; R13-D38 IonicContact CZ-OD2 3.26Å; R13-D38 IonicContact NH1-OD1 3.29Å; R13-D38 PolarHBondContact NH1-OD1 3.34Å; R13-D38 IonicContact NH1-OD2 2.7Å; R13-D38 PolarHBondContact NH1-OD2 3.48Å; R13-D38 IonicContact NH2-OD1 3.97Å; R13-D38 PolarHBondContact NH2-OD1 2.91Å; R13-D38 IonicContact NH2-OD2 3.51Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.41Å; R20-D38 IonicContact NE-OD2 3.02Å; D36-D38 PolarHBondContact O-N 2.93Å; D36-D38 PolarHBondContact OD1-N 2.95Å
39A97Very high97.2Very high29 Ų2952.3 Ų52.324%0.2428%0.283CS..SBendtrans-70.9144.2175.900000111.2D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.15Å; D36-A39 WeakPolarHBondContact O-CB 3.13Å; D36-A39 PolarHBondContact O-N 3.3Å; D36-A39 VanDerWaalsContact O-N 3.1Å; A39-S41 VanDerWaalsContact C-N 3.28Å; A39-S41 PolarHBondContact O-N 2.95Å; A39-Q42 WeakPolarHBondContact O-CG 3.35Å; A39-Q42 PolarHBondContact O-N 3.42Å
40A96.3Very high97.2Very high115 Ų11549.8 Ų49.895%0.9527%0.269SS*.THydrogen-bonded Turntrans-62.4-33.1-179.300000113.4
41S93.6Very high97.3Very high51 Ų5148.7 Ų48.736%0.35726%0.262SS..THydrogen-bonded Turntrans-69.5-34.2178.561.40000112.2A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.28Å; A39-S41 PolarHBondContact O-N 2.95Å; S41-R43 WeakPolarHBondContact O-CG 3.42Å; S41-R43 PolarHBondContact O-N 3.4Å; S41-R43 VanDerWaalsContact O-N 3.16Å; S41-E45 PolarHBondContact OG-OE1 2.94Å
42Q95.6Very high97.3Very high91 Ų9152.2 Ų52.243%0.42528%0.279SS..  trans38.748.8-167.5-60-171.2-27.200111.9F35 S37 A39 K67F35-Q42 HydrophobicContact CE2-CB 4.46Å; F35-Q42 WeakPolarHBondContact CE2-O 3.25Å; S37-Q42 PolarHBondContact O-NE2 3.46Å; A39-Q42 WeakPolarHBondContact O-CG 3.35Å; A39-Q42 PolarHBondContact O-N 3.42Å; Q42-K67 WeakPolarHBondContact O-CE 3.38Å; Q42-K67 PolarHBondContact O-NZ 2.96Å; Q42-K67 VanDerWaalsContact O-NZ 3.12Å
43R97.9Very high97.1Very high154 Ų15458.1 Ų58.158%0.58131%0.306SS*.SBendtrans-123.4156.4179.5-82.1175.6172.2162-0.8110.3F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.25Å; S41-R43 WeakPolarHBondContact O-CG 3.42Å; S41-R43 PolarHBondContact O-N 3.4Å; S41-R43 VanDerWaalsContact O-N 3.16Å; R43-E45 PolarHBondContact O-N 3.11Å; R43-T63 HydrophobicContact CB-CG2 4.47Å; R43-T63 HydrophobicContact CG-CG2 4.06Å
44M98.3Very high97.1Very high12 Ų1258.7 Ų58.76%0.05931%0.309CS..  trans-69128.2166.2-171.364.881.300107.9V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.07Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.11Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.14Å; R34-M44 VanDerWaalsContact C-SD 3.56Å; F35-M44 HydrophobicContact CB-CE 4.29Å; F35-M44 HydrophobicContact CB-SD 3.94Å; M44-W59 HydrophobicContact CB-CE3 4.37Å; M44-W59 HydrophobicContact CG-CE3 4.32Å; M44-W59 HydrophobicContact CG-CZ3 4.09Å; M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CG-CB 4.11Å; M44-T63 PolarHBondContact N-OG1 2.99Å; M44-V66 HydrophobicContact CE-CB 3.74Å; M44-V66 HydrophobicContact CE-CG1 3.99Å; M44-V66 HydrophobicContact CE-CG2 3.84Å
45E98.2Very high97Very high58 Ų5857.1 Ų57.127%0.27131%0.314SS..EExtended strand (participates in β ladder)trans-117.9141.7-175.2-62.9177.2173.300110.9V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.34Å; R34-E45 PolarHBondContact N-O 3.04Å; R34-E45 PolarHBondContact O-N 3.49Å; S41-E45 PolarHBondContact OG-OE1 2.94Å; R43-E45 PolarHBondContact O-N 3.11Å; E45-R47 IonicContact OE2-CZ 2.72Å; E45-R47 IonicContact OE2-NH1 2.84Å; E45-R47 PolarHBondContact OE2-NH1 3.4Å; E45-R47 VanDerWaalsContact OE2-NH1 3.12Å; E45-R47 IonicContact OE2-NH2 3.74Å; E45-R47 PolarHBondContact OE2-NH2 3.48Å
46P98.1Very high96.9Very high44 Ų4461.8 Ų61.829%0.28634%0.344SS..EExtended strand (participates in β ladder)trans-66.8147.9174.928.5-34.5000111.3I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.65Å; P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 3.98Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.41Å
47R97.4Very high96.9Very high104 Ų10469.2 Ų69.239%0.39238%0.379SS..  trans-129.91.5173.5-65.7-63.5-178.4-92.53.1113.4Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.39Å; F32-R47 PolarHBondContact O-N 3.01Å; R34-R47 HydrophobicContact CB-CG 3.84Å; E45-R47 IonicContact OE2-CZ 2.72Å; E45-R47 IonicContact OE2-NH1 2.84Å; E45-R47 PolarHBondContact OE2-NH1 3.4Å; E45-R47 VanDerWaalsContact OE2-NH1 3.12Å; E45-R47 IonicContact OE2-NH2 3.74Å; E45-R47 PolarHBondContact OE2-NH2 3.48Å
48A96.1Very high96.9Very high6 Ų669.4 Ų69.45%0.0538%0.377CS..SBendtrans-138.7143.7173.200000110.7F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.22Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.36Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 2.7Å; A48-I51 WeakPolarHBondContact O-CG2 3.23Å; A48-I51 PolarHBondContact O-N 3.24Å
49P96.1Very high96.9Very high104 Ų10467.4 Ų67.468%0.67536%0.364SS*.G310 helixtrans-58.6-37.5-177.2-26.634.9000113.8I51 E52P49-I51 PolarHBondContact O-N 2.84Å; P49-E52 WeakPolarHBondContact O-CB 3.31Å; P49-E52 PolarHBondContact O-N 2.69Å; P49-E52 VanDerWaalsContact O-N 3.12Å
50W96.3Very high97Very high14 Ų1470.1 Ų70.15%0.05337%0.374CS..G310 helixtrans-69.5-14.6-176.454.6-105.2000114.4V27 F32 A48 Q53 Y170 G174 L178V27-W50 HydrophobicContact CG2-CH2 3.99Å; F32-W50 HydrophobicContact CB-CH2 3.14Å; F32-W50 HydrophobicContact CB-CZ2 3.34Å; F32-W50 HydrophobicContact CB-CZ3 4.02Å; F32-W50 HydrophobicContact CD1-CH2 4.15Å; F32-W50 AromaticContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CZ3 4.22Å; F32-W50 AromaticContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CH2 3.5Å; F32-W50 VanDerWaalsContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CZ2 4.15Å; F32-W50 HydrophobicContact CG-CZ3 4.27Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.36Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 2.7Å; W50-Q53 WeakPolarHBondContact O-CG 3.35Å; W50-Y170 HydrophobicContact CH2-CG 4.33Å; W50-Y170 AromaticContact CZ3-CD1 3.97Å; W50-Y170 HydrophobicContact CZ3-CD1 3.97Å; W50-Y170 AromaticContact CZ3-CG 3.82Å; W50-Y170 HydrophobicContact CZ3-CG 3.82Å; W50-G174 VanDerWaalsContact CG-CA 3.49Å; W50-L178 HydrophobicContact CD2-CD1 4.38Å; W50-L178 HydrophobicContact CH2-CD1 4.23Å; W50-L178 HydrophobicContact CZ2-CD1 3.78Å; W50-L178 HydrophobicContact CZ2-CD2 4.02Å; W50-L178 HydrophobicContact CZ2-CG 4.29Å
51I97.8Very high97.1Very high0 Ų065.2 Ų65.20%034%0.335CS..G310 helixtrans-89.2-20173.8-163.371.4000111.8F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.49Å; F32-I51 HydrophobicContact CD2-CD1 4.04Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.43Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.47Å; P46-I51 HydrophobicContact CB-CG2 3.65Å; A48-I51 WeakPolarHBondContact O-CG2 3.23Å; A48-I51 PolarHBondContact O-N 3.24Å; P49-I51 PolarHBondContact O-N 2.84Å; I51-Q53 PolarHBondContact O-N 2.97Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.33Å; I51-E54 WeakPolarHBondContact O-CG 3.46Å; I51-E54 PolarHBondContact O-N 3.2Å; I51-Y58 HydrophobicContact CD1-CE1 4.24Å; I51-Y58 HydrophobicContact CG1-CE1 4.23Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.78Å; I51-W59 HydrophobicContact CG1-CZ2 4.03Å; I51-W59 HydrophobicContact CG2-CH2 4Å; I51-W59 HydrophobicContact CG2-CZ2 4.36Å; I51-W59 WeakPolarHBondContact O-CZ2 3.3Å; I51-Y170 HydrophobicContact CD1-CD1 3.73Å; I51-Y170 HydrophobicContact CD1-CE1 3.37Å
52E96.6Very high97.3Very high123 Ų12363.7 Ų63.758%0.57532%0.322SS*.THydrogen-bonded Turntrans-63.8-22.3-176.8-64.3-178.3-173.600113.3P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P49-E52 WeakPolarHBondContact O-CB 3.31Å; P49-E52 PolarHBondContact O-N 2.69Å; P49-E52 VanDerWaalsContact O-N 3.12Å; E52-E54 PolarHBondContact O-N 3.23Å
53Q95.3Very high97.4Very high124 Ų12460 Ų6058%0.57931%0.306SS*.THydrogen-bonded Turntrans-71.8-12.6175.769.3-178.49.200114W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.35Å; I51-Q53 PolarHBondContact O-N 2.97Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; Q53-N173 PolarHBondContact NE2-ND2 3.49Å; Q53-N173 PolarHBondContact NE2-OD1 3.26Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.13Å
54E97.2Very high97.5Very high14 Ų1460.9 Ų60.97%0.06531%0.309CS..SBendtrans-65139.1175.2-67.7-62.716500110.9I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.33Å; I51-E54 WeakPolarHBondContact O-CG 3.46Å; I51-E54 PolarHBondContact O-N 3.2Å; E52-E54 PolarHBondContact O-N 3.23Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.44Å; E54-Y58 HydrophobicContact CB-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.02Å; E54-Y58 HydrophobicContact CG-CD2 4.35Å; E54-Y58 HydrophobicContact CG-CE1 4.22Å; E54-Y58 HydrophobicContact CG-CG 4.09Å; E54-W59 PolarHBondContact O-NE1 2.89Å; E54-R169 IonicContact OE1-CZ 3.48Å; E54-R169 IonicContact OE1-NE 3.17Å; E54-R169 PolarHBondContact OE1-NE 3.17Å; E54-R169 IonicContact OE1-NH2 3.44Å; E54-R169 PolarHBondContact OE1-NH2 2.88Å; E54-R169 IonicContact OE2-CZ 3.96Å; E54-R169 IonicContact OE2-NE 3.91Å; E54-R169 IonicContact OE2-NH2 2.71Å; E54-R169 PolarHBondContact OE2-NH2 3.18Å; E54-N173 PolarHBondContact OE1-ND2 3.44Å; E54-N173 VanDerWaalsContact OE1-ND2 3.11Å
55G96.8Very high97.4Very high35 Ų3565.3 Ų65.336%0.36133%0.328SS..  trans-73.3169.9-173.700000114.1E57 Y58 W59G55-E57 PolarHBondContact O-N 3.37Å; G55-E57 VanDerWaalsContact O-N 3.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.42Å; G55-Y58 PolarHBondContact O-N 3.06Å; G55-W59 VanDerWaalsContact O-CD1 3.3Å; G55-W59 PolarHBondContact O-N 2.77Å
56P97.3Very high97.4Very high103 Ų10362.7 Ų62.767%0.66932%0.316SS*.Hα-helixtrans-54.9-36.2-179.8-26.334.6000114.1Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.94Å; P56-W59 PolarHBondContact O-N 2.79Å; P56-D60 WeakPolarHBondContact O-CB 3.36Å; P56-D60 PolarHBondContact O-N 3.01Å
57E97.8Very high97.5Very high177 Ų17764.6 Ų64.683%0.82732%0.32SS*.Hα-helixtrans-61-36.6178.9-64.3-176.1174.300112.8G55 G61G55-E57 PolarHBondContact O-N 3.37Å; G55-E57 VanDerWaalsContact O-N 3.16Å; E57-G61 PolarHBondContact O-N 3.02Å
58Y97.8Very high97.5Very high18 Ų1862.2 Ų62.27%0.07132%0.322CS..Hα-helixtrans-63.3-53.2174.4172.2-92.9000110.2I51 E54 G55 P56 D60 G61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.24Å; I51-Y58 HydrophobicContact CG1-CE1 4.23Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.44Å; E54-Y58 HydrophobicContact CB-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.02Å; E54-Y58 HydrophobicContact CG-CD2 4.35Å; E54-Y58 HydrophobicContact CG-CE1 4.22Å; E54-Y58 HydrophobicContact CG-CG 4.09Å; G55-Y58 WeakPolarHBondContact O-CB 3.42Å; G55-Y58 PolarHBondContact O-N 3.06Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.94Å; Y58-D60 PolarHBondContact O-N 3.45Å; Y58-G61 WeakPolarHBondContact O-CA 3.07Å; Y58-G61 PolarHBondContact O-N 2.92Å; Y58-G61 VanDerWaalsContact O-N 3.15Å; Y58-E62 HydrophobicContact CD1-CG 4.31Å; Y58-E62 HydrophobicContact CD2-CG 4.25Å; Y58-E62 HydrophobicContact CE1-CG 3.91Å; Y58-E62 HydrophobicContact CE2-CG 3.86Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CG 3.5Å; Y58-E62 PolarHBondContact O-N 3.38Å; Y58-W166 AromaticContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CZ2 4.35Å; Y58-W166 AromaticContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CE2-CE3 4.25Å; Y58-W166 AromaticContact CE2-CH2 3.8Å; Y58-W166 HydrophobicContact CE2-CH2 3.8Å; Y58-W166 HydrophobicContact CE2-CZ2 4.47Å; Y58-W166 AromaticContact CE2-CZ3 3.65Å; Y58-W166 HydrophobicContact CE2-CZ3 3.65Å; Y58-Y170 HydrophobicContact CE2-CE1 4.38Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.33Å; Y58-Y170 PolarHBondContact OH-OH 2.9Å
59W98.4Very high97.6Very high39 Ų3964.3 Ų64.315%0.14833%0.331CS..Hα-helixtrans-64.3-39.4-176.8-65.9112.6000113.1V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.12Å; V33-W59 HydrophobicContact CG1-CZ3 3.92Å; M44-W59 HydrophobicContact CB-CE3 4.37Å; M44-W59 HydrophobicContact CG-CE3 4.32Å; M44-W59 HydrophobicContact CG-CZ3 4.09Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 3.98Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.41Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.78Å; I51-W59 HydrophobicContact CG1-CZ2 4.03Å; I51-W59 HydrophobicContact CG2-CH2 4Å; I51-W59 HydrophobicContact CG2-CZ2 4.36Å; I51-W59 WeakPolarHBondContact O-CZ2 3.3Å; E54-W59 PolarHBondContact O-NE1 2.89Å; G55-W59 VanDerWaalsContact O-CD1 3.3Å; G55-W59 PolarHBondContact O-N 2.77Å; P56-W59 PolarHBondContact O-N 2.79Å; W59-T63 WeakPolarHBondContact O-CB 3.46Å; W59-T63 PolarHBondContact O-N 3.34Å; W59-T63 PolarHBondContact O-OG1 2.72Å
60D98.2Very high97.6Very high86 Ų8660.2 Ų60.246%0.4631%0.305SS..Hα-helixtrans-67.4-39.6174.2-76.8-19.7000111.3P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.36Å; P56-D60 PolarHBondContact O-N 3.01Å; Y58-D60 PolarHBondContact O-N 3.45Å; D60-R64 WeakPolarHBondContact O-CB 3.43Å; D60-R64 PolarHBondContact O-N 3.16Å
61G98.2Very high97.7Very high13 Ų1364.6 Ų64.613%0.13433%0.326CS..Hα-helixtrans-60.8-53.6174.300000112.5E57 Y58 T63 R64 K65E57-G61 PolarHBondContact O-N 3.02Å; Y58-G61 WeakPolarHBondContact O-CA 3.07Å; Y58-G61 PolarHBondContact O-N 2.92Å; Y58-G61 VanDerWaalsContact O-N 3.15Å; G61-T63 PolarHBondContact O-N 2.93Å; G61-R64 PolarHBondContact O-N 3.37Å; G61-K65 WeakPolarHBondContact O-CG 3.49Å; G61-K65 PolarHBondContact O-N 2.61Å
62E98.1Very high97.7Very high19 Ų1967.6 Ų67.69%0.08934%0.344CS..Hα-helixtrans-64.4-39.7179.2-68.4-50.511300111.7M44 Y58 R64 K65 V66M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CG-CB 4.11Å; Y58-E62 HydrophobicContact CD1-CG 4.31Å; Y58-E62 HydrophobicContact CD2-CG 4.25Å; Y58-E62 HydrophobicContact CE1-CG 3.91Å; Y58-E62 HydrophobicContact CE2-CG 3.86Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CG 3.5Å; Y58-E62 PolarHBondContact O-N 3.38Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.94Å; E62-K65 PolarHBondContact O-N 3.04Å; E62-K65 IonicContact OE1-NZ 3.71Å; E62-K65 PolarHBondContact OE1-NZ 3.44Å; E62-V66 WeakPolarHBondContact O-CB 3.43Å; E62-V66 WeakPolarHBondContact O-CG1 3.34Å; E62-V66 PolarHBondContact O-N 2.95Å
63T98.6Very high97.7Very high12 Ų1261.7 Ų61.77%0.07432%0.317CS..Hα-helixtrans-60.9-41.8173.6-64.10000111.7R43 M44 W59 G61 V66 K67R43-T63 HydrophobicContact CB-CG2 4.47Å; R43-T63 HydrophobicContact CG-CG2 4.06Å; M44-T63 PolarHBondContact N-OG1 2.99Å; W59-T63 WeakPolarHBondContact O-CB 3.46Å; W59-T63 PolarHBondContact O-N 3.34Å; W59-T63 PolarHBondContact O-OG1 2.72Å; G61-T63 PolarHBondContact O-N 2.93Å; T63-V66 WeakPolarHBondContact O-CG1 3.18Å; T63-K67 HydrophobicContact CG2-CD 4.27Å; T63-K67 WeakPolarHBondContact O-CB 3.49Å; T63-K67 VanDerWaalsContact O-CG 3.31Å; T63-K67 WeakPolarHBondContact O-CG 3.31Å; T63-K67 PolarHBondContact O-N 2.92Å; T63-K67 VanDerWaalsContact O-N 3.11Å
64R98.4Very high97.8Very high174 Ų17461 Ų6166%0.65731%0.309SS*.Hα-helixtrans-65.6-46177.4-169.4-174.8-58.2107.73111.4D60 G61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.43Å; D60-R64 PolarHBondContact O-N 3.16Å; G61-R64 PolarHBondContact O-N 3.37Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.94Å; R64-K67 PolarHBondContact O-N 3.14Å; R64-A68 PolarHBondContact O-N 3.29Å
65K97.8Very high97.8Very high105 Ų10564.7 Ų64.746%0.45733%0.332SS..Hα-helixtrans-61.4-47.6178.7-69.6173.1-167165.70111.7G61 E62 K67 A68 H69G61-K65 WeakPolarHBondContact O-CG 3.49Å; G61-K65 PolarHBondContact O-N 2.61Å; E62-K65 PolarHBondContact O-N 3.04Å; E62-K65 IonicContact OE1-NZ 3.71Å; E62-K65 PolarHBondContact OE1-NZ 3.44Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 2.78Å; K65-A68 WeakPolarHBondContact O-CB 3.37Å; K65-A68 PolarHBondContact O-N 3.11Å; K65-H69 PolarHBondContact O-CD2 2.89Å; K65-H69 VanDerWaalsContact O-CD2 3.31Å; K65-H69 PolarHBondContact O-N 2.88Å
66V98.2Very high97.8Very high3 Ų365 Ų652%0.01833%0.326CS..Hα-helixtrans-67.4-34.4-178.376.10000112.1F21 A23 F35 M44 E62 T63 H69 S70F21-V66 HydrophobicContact CE1-CG2 3.7Å; F21-V66 HydrophobicContact CZ-CG2 4.5Å; A23-V66 HydrophobicContact CB-CG2 3.62Å; F35-V66 HydrophobicContact CB-CG1 4.14Å; F35-V66 HydrophobicContact CB-CG2 3.78Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.92Å; F35-V66 HydrophobicContact CD2-CG1 3.39Å; F35-V66 HydrophobicContact CD2-CG2 4.32Å; F35-V66 HydrophobicContact CE2-CG1 3.78Å; F35-V66 HydrophobicContact CG-CB 4.43Å; F35-V66 HydrophobicContact CG-CG1 3.71Å; F35-V66 HydrophobicContact CG-CG2 3.75Å; F35-V66 HydrophobicContact CZ-CG1 4.42Å; M44-V66 HydrophobicContact CE-CB 3.74Å; M44-V66 HydrophobicContact CE-CG1 3.99Å; M44-V66 HydrophobicContact CE-CG2 3.84Å; E62-V66 WeakPolarHBondContact O-CB 3.43Å; E62-V66 WeakPolarHBondContact O-CG1 3.34Å; E62-V66 PolarHBondContact O-N 2.95Å; T63-V66 WeakPolarHBondContact O-CG1 3.18Å; V66-H69 PolarHBondContact O-N 3.01Å; V66-S70 PolarHBondContact O-N 3.21Å
67K98.3Very high97.8Very high84 Ų8460.5 Ų60.537%0.36530%0.296SS..Hα-helixtrans-65.6-40.3171.3-76.2-175.7179.7-174.10112.3F35 Q42 T63 R64 K65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4.19Å; Q42-K67 WeakPolarHBondContact O-CE 3.38Å; Q42-K67 PolarHBondContact O-NZ 2.96Å; Q42-K67 VanDerWaalsContact O-NZ 3.12Å; T63-K67 HydrophobicContact CG2-CD 4.27Å; T63-K67 WeakPolarHBondContact O-CB 3.49Å; T63-K67 VanDerWaalsContact O-CG 3.31Å; T63-K67 WeakPolarHBondContact O-CG 3.31Å; T63-K67 PolarHBondContact O-N 2.92Å; T63-K67 VanDerWaalsContact O-N 3.11Å; R64-K67 PolarHBondContact O-N 3.14Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 2.78Å; K67-S70 WeakPolarHBondContact O-CB 3.39Å; K67-S70 PolarHBondContact O-N 3.18Å; K67-Q71 PolarHBondContact O-N 3.03Å; K67-Q71 VanDerWaalsContact O-N 3.13Å
68A98.1Very high97.7Very high54 Ų5453.8 Ų53.845%0.44628%0.275SS..Hα-helixtrans-61.3-46173.700000111.1R64 K65 S70 Q71 T72R64-A68 PolarHBondContact O-N 3.29Å; K65-A68 WeakPolarHBondContact O-CB 3.37Å; K65-A68 PolarHBondContact O-N 3.11Å; A68-S70 VanDerWaalsContact C-N 3.32Å; A68-S70 PolarHBondContact O-N 3.2Å; A68-Q71 PolarHBondContact O-N 2.81Å; A68-Q71 VanDerWaalsContact O-N 3.12Å; A68-T72 PolarHBondContact O-N 2.9Å; A68-T72 PolarHBondContact O-OG1 2.86Å
69H97.7Very high97.7Very high49 Ų4955.5 Ų55.523%0.22729%0.287CS..Hα-helixtrans-60.9-37.7174.5-73.8-48.1000113.3F8 F21 K65 V66 Q71 T72 H73 R96F8-H69 HydrophobicContact CD2-CB 4.15Å; F8-H69 HydrophobicContact CE2-CB 3.87Å; F8-H69 AromaticContact CE2-CD2 3.48Å; F8-H69 VanDerWaalsContact CE2-CD2 3.48Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.27Å; F8-H69 AromaticContact CE2-CG 3.62Å; F8-H69 AromaticContact CZ-CD2 3.99Å; F21-H69 HydrophobicContact CZ-CB 4.13Å; K65-H69 PolarHBondContact O-CD2 2.89Å; K65-H69 VanDerWaalsContact O-CD2 3.31Å; K65-H69 PolarHBondContact O-N 2.88Å; V66-H69 PolarHBondContact O-N 3.01Å; H69-Q71 VanDerWaalsContact C-N 3.3Å; H69-Q71 PolarHBondContact O-N 3.37Å; H69-T72 PolarHBondContact O-N 3.05Å; H69-H73 PolarHBondContact O-CD2 2.88Å; H69-H73 VanDerWaalsContact O-CD2 3.23Å; H69-H73 PolarHBondContact O-N 2.87Å; H69-R96 PolarHBondContact CE1-NH1 2.9Å; H69-R96 PolarHBondContact ND1-NH1 2.95Å
70S97.8Very high97.7Very high19 Ų1954.1 Ų54.113%0.13328%0.282CS..Hα-helixtrans-59.6-41.3174178.80000112F21 V66 K67 A68 R74F21-S70 WeakPolarHBondContact CB-OG 3.38Å; V66-S70 PolarHBondContact O-N 3.21Å; K67-S70 WeakPolarHBondContact O-CB 3.39Å; K67-S70 PolarHBondContact O-N 3.18Å; A68-S70 VanDerWaalsContact C-N 3.32Å; A68-S70 PolarHBondContact O-N 3.2Å; S70-R74 PolarHBondContact O-N 2.97Å
71Q97.6Very high97.6Very high105 Ų10553.4 Ų53.449%0.49127%0.273SS..Hα-helixtrans-69-40.6175.7-62.9-52.2-45.200112.1K67 A68 H69 H73 R74 V75K67-Q71 PolarHBondContact O-N 3.03Å; K67-Q71 VanDerWaalsContact O-N 3.13Å; A68-Q71 PolarHBondContact O-N 2.81Å; A68-Q71 VanDerWaalsContact O-N 3.12Å; H69-Q71 VanDerWaalsContact C-N 3.3Å; H69-Q71 PolarHBondContact O-N 3.37Å; Q71-H73 PolarHBondContact O-N 2.8Å; Q71-R74 WeakPolarHBondContact O-CB 3.35Å; Q71-R74 PolarHBondContact O-N 3.01Å; Q71-V75 PolarHBondContact O-N 2.98Å; Q71-V75 VanDerWaalsContact O-N 3.1Å
72T97.1Very high97.5Very high63 Ų6354.8 Ų54.839%0.38729%0.287SS..Hα-helixtrans-57.3-50.1173.3-55.20000111A68 H69 R74 V75 D76A68-T72 PolarHBondContact O-N 2.9Å; A68-T72 PolarHBondContact O-OG1 2.86Å; H69-T72 PolarHBondContact O-N 3.05Å; T72-R74 VanDerWaalsContact C-N 3.26Å; T72-R74 PolarHBondContact O-N 3.26Å; T72-V75 WeakPolarHBondContact O-CB 3.23Å; T72-V75 PolarHBondContact O-N 2.83Å; T72-D76 VanDerWaalsContact O-CG 3.22Å; T72-D76 PolarHBondContact O-N 2.96Å
73H97.5Very high97.4Very high0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-63-31.2179.1-83-125000113F8 F21 H69 Q71 D76 L77F8-H73 AromaticContact CD2-NE2 3.94Å; F21-H73 HydrophobicContact CD2-CB 4.04Å; F21-H73 HydrophobicContact CE2-CB 4.04Å; F21-H73 AromaticContact CE2-CD2 3.89Å; F21-H73 AromaticContact CE2-CG 3.66Å; F21-H73 AromaticContact CE2-ND1 3.8Å; H69-H73 PolarHBondContact O-CD2 2.88Å; H69-H73 VanDerWaalsContact O-CD2 3.23Å; H69-H73 PolarHBondContact O-N 2.87Å; Q71-H73 PolarHBondContact O-N 2.8Å; H73-D76 PolarHBondContact O-N 2.87Å; H73-L77 WeakPolarHBondContact O-CG 3.11Å; H73-L77 PolarHBondContact O-N 2.03Å
74R97.1Very high97.4Very high109 Ų10959.5 Ų59.541%0.41130%0.304SS..Hα-helixtrans-63.2-44.9172.4174-169.5168.715417.8111E18 P19 S70 Q71 T72 G78E18-R74 VanDerWaalsContact CD-NH2 3.33Å; E18-R74 IonicContact OE1-CZ 3.51Å; E18-R74 IonicContact OE1-NH1 3.28Å; E18-R74 PolarHBondContact OE1-NH1 3.38Å; E18-R74 IonicContact OE1-NH2 3.46Å; E18-R74 PolarHBondContact OE1-NH2 2.97Å; E18-R74 WeakPolarHBondContact OE2-CD 3.25Å; E18-R74 IonicContact OE2-CZ 2.7Å; E18-R74 IonicContact OE2-NE 2.76Å; E18-R74 PolarHBondContact OE2-NE 3.4Å; E18-R74 IonicContact OE2-NH1 3.53Å; E18-R74 PolarHBondContact OE2-NH1 2.88Å; E18-R74 IonicContact OE2-NH2 3.22Å; E18-R74 PolarHBondContact OE2-NH2 3.3Å; P19-R74 HydrophobicContact CG-CG 4.32Å; S70-R74 PolarHBondContact O-N 2.97Å; Q71-R74 WeakPolarHBondContact O-CB 3.35Å; Q71-R74 PolarHBondContact O-N 3.01Å; T72-R74 VanDerWaalsContact C-N 3.26Å; T72-R74 PolarHBondContact O-N 3.26Å; R74-G78 PolarHBondContact O-N 2.95Å
75V97.1Very high97.2Very high92 Ų9258.4 Ų58.456%0.55831%0.311SS*.Hα-helixtrans-66.3-40.6176.4175.90000110.9Q71 T72 L77 G78 T79Q71-V75 PolarHBondContact O-N 2.98Å; Q71-V75 VanDerWaalsContact O-N 3.1Å; T72-V75 WeakPolarHBondContact O-CB 3.23Å; T72-V75 PolarHBondContact O-N 2.83Å; V75-L77 PolarHBondContact O-N 2.9Å; V75-G78 PolarHBondContact O-N 3.28Å; V75-T79 WeakPolarHBondContact O-CB 2.94Å; V75-T79 PolarHBondContact O-N 3.22Å; V75-T79 PolarHBondContact O-OG1 3.32Å
76D97.3Very high97.2Very high41 Ų4156.3 Ų56.322%0.21930%0.303CS..Hα-helixtrans-61.5-43.5178.1-65-24.2000111.4T72 H73 G78 T79 L80T72-D76 VanDerWaalsContact O-CG 3.22Å; T72-D76 PolarHBondContact O-N 2.96Å; H73-D76 PolarHBondContact O-N 2.87Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 3.28Å; D76-T79 PolarHBondContact O-N 2.71Å; D76-L80 HydrophobicContact CB-CD1 4.42Å; D76-L80 WeakPolarHBondContact O-CB 3.03Å; D76-L80 VanDerWaalsContact O-CG 3.24Å; D76-L80 WeakPolarHBondContact O-CG 3.26Å; D76-L80 PolarHBondContact O-N 2.88Å
77L97.6Very high97Very high8 Ų859.9 Ų59.94%0.04233%0.328CS..Hα-helixtrans-55.6-43.2175.5-81.5165.1000112.3S10 P19 H73 V75 R81 H92 V94 Y117S10-L77 VanDerWaalsContact OG-CD1 3.28Å; S10-L77 WeakPolarHBondContact OG-CD1 3.31Å; P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.66Å; H73-L77 WeakPolarHBondContact O-CG 3.11Å; H73-L77 PolarHBondContact O-N 2.03Å; V75-L77 PolarHBondContact O-N 2.9Å; L77-R81 VanDerWaalsContact O-CB 3.25Å; L77-R81 WeakPolarHBondContact O-CB 3.19Å; L77-R81 PolarHBondContact O-N 2.81Å; L77-H92 HydrophobicContact CD2-CB 4Å; L77-H92 WeakPolarHBondContact CD2-O 3.34Å; L77-V94 HydrophobicContact CD2-CB 4.33Å; L77-V94 HydrophobicContact CD2-CG2 3.65Å; L77-V94 HydrophobicContact CG-CB 4.41Å; L77-V94 HydrophobicContact CG-CG2 3.82Å; L77-Y117 HydrophobicContact CD2-CE2 4.39Å
78G95.7Very high96.6Very high37 Ų3762.4 Ų62.438%0.38134%0.341SS..Hα-helixtrans-69.6-41.3177.100000112.8R74 V75 D76 G82R74-G78 PolarHBondContact O-N 2.95Å; V75-G78 PolarHBondContact O-N 3.28Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 3.28Å; G78-G82 PolarHBondContact O-N 2.88Å; G78-G82 VanDerWaalsContact O-N 3.17Å
79T96.9Very high96.3Very high53 Ų5364.1 Ų64.133%0.32536%0.355SS..Hα-helixtrans-65.6-48.7-179.8-58.40000111.5V75 D76 G82 Y83V75-T79 WeakPolarHBondContact O-CB 2.94Å; V75-T79 PolarHBondContact O-N 3.22Å; V75-T79 PolarHBondContact O-OG1 3.32Å; D76-T79 PolarHBondContact O-N 2.71Å; T79-G82 WeakPolarHBondContact O-CA 3.42Å; T79-G82 PolarHBondContact O-N 2.75Å; T79-G82 VanDerWaalsContact O-N 3.14Å; T79-Y83 HydrophobicContact CG2-CD1 4.39Å; T79-Y83 HydrophobicContact CG2-CD2 4.39Å; T79-Y83 HydrophobicContact CG2-CE1 3.84Å; T79-Y83 HydrophobicContact CG2-CE2 3.84Å; T79-Y83 PolarHBondContact O-N 3.19Å
80L97.6Very high96.1Very high10 Ų1062.8 Ų62.85%0.05236%0.355CS..Hα-helixtrans-64.2-44.9-179.7-68.4167.9000111D76 G82 Y83 Y84 V94 Y117 Y122D76-L80 HydrophobicContact CB-CD1 4.42Å; D76-L80 WeakPolarHBondContact O-CB 3.03Å; D76-L80 VanDerWaalsContact O-CG 3.24Å; D76-L80 WeakPolarHBondContact O-CG 3.26Å; D76-L80 PolarHBondContact O-N 2.88Å; L80-G82 PolarHBondContact O-N 2.98Å; L80-Y83 HydrophobicContact CD2-CD2 4.46Å; L80-Y83 PolarHBondContact O-N 3.37Å; L80-Y84 HydrophobicContact CD2-CE2 4.31Å; L80-Y84 WeakPolarHBondContact O-CD2 3.24Å; L80-Y84 PolarHBondContact O-N 2.99Å; L80-V94 HydrophobicContact CD1-CG2 3.52Å; L80-Y117 HydrophobicContact CB-CD1 4.32Å; L80-Y117 HydrophobicContact CB-CD2 4.08Å; L80-Y117 HydrophobicContact CB-CE1 4.02Å; L80-Y117 HydrophobicContact CB-CE2 3.78Å; L80-Y117 HydrophobicContact CB-CG 4.33Å; L80-Y117 HydrophobicContact CD1-CD2 3.6Å; L80-Y117 HydrophobicContact CD1-CE2 4.02Å; L80-Y117 HydrophobicContact CD1-CG 4Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y122 HydrophobicContact CD2-CD1 4.25Å; L80-Y122 HydrophobicContact CD2-CD2 4.14Å; L80-Y122 HydrophobicContact CD2-CE1 3.64Å; L80-Y122 HydrophobicContact CD2-CE2 3.47Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.47Å; L80-Y122 HydrophobicContact CD2-CG 4.48Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.48Å
81R96.4Very high96Very high72 Ų7265.5 Ų65.527%0.27237%0.374SS..Hα-helixtrans-52.8-41.8173.2-174.6-172.467.6176.710.4111.6L77 N85 Q86 E88 Y117L77-R81 VanDerWaalsContact O-CB 3.25Å; L77-R81 WeakPolarHBondContact O-CB 3.19Å; L77-R81 PolarHBondContact O-N 2.81Å; R81-N85 PolarHBondContact O-N 3.44Å; R81-N85 VanDerWaalsContact O-N 3.17Å; R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3.46Å; R81-Q86 PolarHBondContact O-N 2.85Å; R81-E88 IonicContact CZ-OE1 3.69Å; R81-E88 IonicContact NH1-OE1 3.38Å; R81-E88 PolarHBondContact NH1-OE1 3Å; R81-E88 IonicContact NH2-OE1 3.04Å; R81-E88 PolarHBondContact NH2-OE1 2.83Å; R81-Y117 PolarHBondContact N-OH 2.86Å
82G96.1Very high96.1Very high42 Ų4261.2 Ų61.243%0.43335%0.354SS..Hα-helixtrans-64.4-48.2174.600000113.1G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.88Å; G78-G82 VanDerWaalsContact O-N 3.17Å; T79-G82 WeakPolarHBondContact O-CA 3.42Å; T79-G82 PolarHBondContact O-N 2.75Å; T79-G82 VanDerWaalsContact O-N 3.14Å; L80-G82 PolarHBondContact O-N 2.98Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.8Å; G82-N85 PolarHBondContact O-N 2.92Å; G82-N85 VanDerWaalsContact O-N 3.07Å; G82-N85 PolarHBondContact O-OD1 2.9Å
83Y97.1Very high96.1Very high64 Ų6460 Ų6025%0.25135%0.346SS..Hα-helixtrans-60-35.1178.8-69-7.4000113.1T79 L80 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.39Å; T79-Y83 HydrophobicContact CG2-CD2 4.39Å; T79-Y83 HydrophobicContact CG2-CE1 3.84Å; T79-Y83 HydrophobicContact CG2-CE2 3.84Å; T79-Y83 PolarHBondContact O-N 3.19Å; L80-Y83 HydrophobicContact CD2-CD2 4.46Å; L80-Y83 PolarHBondContact O-N 3.37Å; Y83-T141 HydrophobicContact CE1-CG2 4.23Å; Y83-T141 HydrophobicContact CE2-CG2 4.03Å; Y83-K145 PolarHBondContact OH-NZ 3.43Å
84Y97.2Very high96.2Very high66 Ų6660 Ų6026%0.25935%0.346SS..THydrogen-bonded Turntrans-90.84.2177.8-67.3-72.7000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.31Å; L80-Y84 WeakPolarHBondContact O-CD2 3.24Å; L80-Y84 PolarHBondContact O-N 2.99Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.8Å; Y84-Q86 PolarHBondContact O-N 2.93Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.47Å; Y84-Y117 HydrophobicContact CD2-CE1 3.47Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.47Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CE2-CG 4.42Å; Y84-Y117 HydrophobicContact CG-CE1 4.4Å; Y84-Y122 HydrophobicContact CE2-CD2 4.48Å; Y84-Y122 HydrophobicContact CE2-CE2 4.2Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.25Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.27Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.4Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.31Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 PolarHBondContact OH-OD1 2.94Å; Y84-D136 PolarHBondContact OH-OD2 3.12Å; Y84-A138 HydrophobicContact CD1-CB 4.12Å; Y84-A138 HydrophobicContact CE1-CB 3.55Å; Y84-A138 HydrophobicContact CE2-CB 3.99Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å
85N96.1Very high96.3Very high151 Ų15158.4 Ų58.481%0.80734%0.344SS*.THydrogen-bonded Turntrans5240-177.5-58.2-58.1000113.4R81 G82R81-N85 PolarHBondContact O-N 3.44Å; R81-N85 VanDerWaalsContact O-N 3.17Å; G82-N85 PolarHBondContact O-N 2.92Å; G82-N85 VanDerWaalsContact O-N 3.07Å; G82-N85 PolarHBondContact O-OD1 2.9Å
86Q96.4Very high96.3Very high60 Ų6055.1 Ų55.128%0.2832%0.321SS..  trans-89.1151.4-176.1-70.8167.2-33.500112.1R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3.46Å; R81-Q86 PolarHBondContact O-N 2.85Å; Y84-Q86 PolarHBondContact O-N 2.93Å; Q86-H92 PolarHBondContact OE1-CE1 2.9Å; Q86-H92 PolarHBondContact OE1-ND1 2.82Å; Q86-Y117 PolarHBondContact OE1-OH 3.33Å; Q86-D118 PolarHBondContact NE2-OD2 2.84Å
87S94.1Very high96.4Very high79 Ų7954.2 Ų54.255%0.55232%0.316SS*.  trans-70.1151.4-178.775.40000112.9A89 G90S87-A89 PolarHBondContact O-N 3.41Å; S87-G90 PolarHBondContact O-N 2.61Å
88E90.6Very high96.4Very high137 Ų13754.7 Ų54.764%0.6432%0.317SS*.THydrogen-bonded Turntrans-69.8-19.5176.8-54.5-154.4125.700114.4P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.3Å; P14-E88 WeakPolarHBondContact CG-O 3.43Å; R81-E88 IonicContact CZ-OE1 3.69Å; R81-E88 IonicContact NH1-OE1 3.38Å; R81-E88 PolarHBondContact NH1-OE1 3Å; R81-E88 IonicContact NH2-OE1 3.04Å; R81-E88 PolarHBondContact NH2-OE1 2.83Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 2.98Å
89A91.7Very high96.6Very high90 Ų9052.9 Ų52.974%0.74430%0.299SS*.THydrogen-bonded Turntrans-75.9-15.3178.800000113S87S87-A89 PolarHBondContact O-N 3.41Å
90G92.9Very high96.7Very high21 Ų2150.4 Ų50.422%0.21628%0.283CS..SBendtrans-76.2135-179.400000112.9P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.3Å; S87-G90 PolarHBondContact O-N 2.61Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 2.98Å; G90-H92 PolarHBondContact O-CD2 3.31Å
91S97Very high96.7Very high76 Ų7651.1 Ų51.153%0.53129%0.288SS..  trans-81.8130.5165.5-1770000108.8S12S12-S91 PolarHBondContact O-OG 2.84Å
92H98.1Very high96.8Very high15 Ų1547.7 Ų47.77%0.06928%0.275CS..  trans-129154.5-176.2-64.4-73.5000110.5V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.49Å; S12-H92 PolarHBondContact N-O 3.39Å; S12-H92 PolarHBondContact OG-N 2.91Å; S12-H92 PolarHBondContact OG-O 3.44Å; L77-H92 HydrophobicContact CD2-CB 4Å; L77-H92 WeakPolarHBondContact CD2-O 3.34Å; Q86-H92 PolarHBondContact OE1-CE1 2.9Å; Q86-H92 PolarHBondContact OE1-ND1 2.82Å; G90-H92 PolarHBondContact O-CD2 3.31Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 WeakPolarHBondContact CB-OH 3.46Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 3.23Å; H92-D118 WeakPolarHBondContact CA-OD1 3.38Å; H92-D118 IonicContact CE1-OD2 3.82Å; H92-D118 IonicContact CG-OD1 3.01Å; H92-D118 IonicContact CG-OD2 3.65Å; H92-D118 IonicContact ND1-OD1 3.64Å; H92-D118 IonicContact ND1-OD2 2.71Å; H92-D118 PolarHBondContact ND1-OD2 2.84Å
93T98.6Very high96.8Very high36 Ų3646 Ų4622%0.22126%0.257CS..EExtended strand (participates in β ladder)trans-126.7128.7-176.9-53.80000111T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.89Å; S10-T93 CarbonylContact O-C 3.52Å; S10-T93 VanDerWaalsContact O-CA 3.3Å; S10-T93 WeakPolarHBondContact O-CA 3.34Å; V11-T93 HydrophobicContact CG2-CG2 4.15Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.16Å; T93-Y117 WeakPolarHBondContact O-CD2 3.19Å; T93-D118 PolarHBondContact N-OD1 3.19Å; T93-D118 PolarHBondContact O-N 2.89Å
94V98.6Very high96.5Very high1 Ų148 Ų481%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-111.4125.1168.2173.70000108.6T9 S10 L77 L80 Y115 Y117T9-V94 WeakPolarHBondContact CA-O 3.4Å; S10-V94 PolarHBondContact N-O 3.29Å; S10-V94 PolarHBondContact O-N 2.92Å; L77-V94 HydrophobicContact CD2-CB 4.33Å; L77-V94 HydrophobicContact CD2-CG2 3.65Å; L77-V94 HydrophobicContact CG-CB 4.41Å; L77-V94 HydrophobicContact CG-CG2 3.82Å; L80-V94 HydrophobicContact CD1-CG2 3.52Å; V94-Y115 HydrophobicContact CG1-CD1 4.01Å; V94-Y115 HydrophobicContact CG1-CE1 4.38Å; V94-Y117 HydrophobicContact CG2-CD2 3.65Å; V94-Y117 HydrophobicContact CG2-CE2 3.98Å
95Q98.8Very high96.2Very high76 Ų7648.9 Ų48.936%0.35529%0.29SS..EExtended strand (participates in β ladder)trans-116.4143.8175.1-62.3173.2-86.100109.8F8 T9 T93 Y115 A116F8-Q95 CarbonylContact O-C 3.58Å; F8-Q95 VanDerWaalsContact O-CA 3.27Å; F8-Q95 WeakPolarHBondContact O-CA 3.4Å; T9-Q95 HydrophobicContact CG2-CG 4.06Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; Q95-Y115 CarbonylContact O-C 3.58Å; Q95-Y115 WeakPolarHBondContact O-CA 3.38Å; Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 2.95Å; Q95-A116 PolarHBondContact O-N 2.8Å
96R98.5Very high95.9Very high22 Ų2246 Ų468%0.08327%0.268CS..EExtended strand (participates in β ladder)trans-133.3135173.3-177.1-168.6-174.7-160-3.7109.1F7 F8 H69 Y98 H113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.4Å; F8-R96 HydrophobicContact CB-CB 4.32Å; F8-R96 PolarHBondContact N-O 3.18Å; F8-R96 PolarHBondContact O-N 2.7Å; H69-R96 PolarHBondContact CE1-NH1 2.9Å; H69-R96 PolarHBondContact ND1-NH1 2.95Å; R96-Y98 HydrophobicContact CG-CD1 4.39Å; R96-H113 PolarHBondContact NE-NE2 3.47Å; R96-H113 VanDerWaalsContact NE-NE2 3.14Å; R96-H113 PolarHBondContact NH2-CD2 3.31Å; R96-H113 VanDerWaalsContact NH2-CD2 3.32Å; R96-H113 PolarHBondContact NH2-NE2 3.42Å; R96-Q114 CarbonylContact C-O 3.59Å; R96-Q114 VanDerWaalsContact CA-O 3.32Å; R96-Q114 WeakPolarHBondContact CA-O 3.49Å; R96-Y115 HydrophobicContact CB-CD1 4Å; R96-Y115 HydrophobicContact CB-CE1 3.84Å; R96-Y115 HydrophobicContact CB-CE2 4.36Å; R96-Y115 HydrophobicContact CB-CG 4.37Å; R96-Y115 VanDerWaalsContact CD-OH 3.24Å; R96-Y115 WeakPolarHBondContact CD-OH 3.28Å; R96-Y115 HydrophobicContact CG-CD1 4.3Å; R96-Y115 HydrophobicContact CG-CD2 4.03Å; R96-Y115 HydrophobicContact CG-CE1 3.95Å; R96-Y115 HydrophobicContact CG-CE2 3.62Å; R96-Y115 HydrophobicContact CG-CG 4.36Å; R96-Y115 PolarHBondContact NE-OH 2.83Å
97M98.6Very high95.8Very high22 Ų2251.4 Ų51.411%0.10829%0.285CS..EExtended strand (participates in β ladder)trans-122.8132.2166.4-174.1-79.9-74.500109.1Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.37Å; F7-M97 HydrophobicContact CD1-CB 3.94Å; F7-M97 HydrophobicContact CD1-CG 3.58Å; F7-M97 HydrophobicContact CE1-CB 4.11Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CG-CG 4.36Å; F7-M97 HydrophobicContact CZ-CG 3.94Å; M97-Y112 HydrophobicContact CE-CD1 4.18Å; M97-Y112 HydrophobicContact CE-CG 4.13Å; M97-H113 WeakPolarHBondContact O-CA 3.45Å; M97-Q114 HydrophobicContact CB-CG 4.05Å; M97-Q114 HydrophobicContact CE-CG 4.05Å; M97-Q114 PolarHBondContact N-O 3.43Å; M97-Q114 PolarHBondContact O-N 3.2Å
98Y98.6Very high96Very high18 Ų1850.3 Ų50.37%0.07127%0.271CS..EExtended strand (participates in β ladder)trans-145.8158170.371.4-82.2000111.2Y6 F8 R96 Y112 Y158Y6-Y98 HydrophobicContact CD2-CD2 4.48Å; Y6-Y98 AromaticContact CD2-CE2 3.72Å; Y6-Y98 HydrophobicContact CD2-CE2 3.72Å; Y6-Y98 AromaticContact CD2-CZ 3.74Å; Y6-Y98 HydrophobicContact CE2-CE2 4.45Å; Y6-Y98 HydrophobicContact CG-CE1 4.25Å; Y6-Y98 HydrophobicContact CG-CE2 4.24Å; Y6-Y98 AromaticContact CG-CZ 3.79Å; Y6-Y98 PolarHBondContact N-O 2.73Å; Y6-Y98 PolarHBondContact O-N 2.94Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å; F8-Y98 HydrophobicContact CD2-CE1 4.25Å; F8-Y98 HydrophobicContact CE1-CE1 4.14Å; F8-Y98 AromaticContact CE2-CE1 3.55Å; F8-Y98 HydrophobicContact CE2-CE1 3.55Å; F8-Y98 AromaticContact CZ-CE1 3.5Å; F8-Y98 HydrophobicContact CZ-CE1 3.5Å; F8-Y98 VanDerWaalsContact CZ-CE1 3.5Å; F8-Y98 AromaticContact CZ-CZ 3.89Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.46Å; R96-Y98 HydrophobicContact CG-CD1 4.39Å; Y98-Y112 WeakPolarHBondContact CA-O 3.28Å; Y98-Y112 VanDerWaalsContact CB-O 3.29Å; Y98-Y112 WeakPolarHBondContact CB-O 3.48Å; Y98-Y158 AromaticContact CD2-CE1 3.9Å; Y98-Y158 HydrophobicContact CD2-CE1 3.9Å; Y98-Y158 AromaticContact CE2-CE1 3.84Å; Y98-Y158 HydrophobicContact CE2-CE1 3.84Å
99G98.6Very high96.3Very high0 Ų048.9 Ų48.90%027%0.267CS..EExtended strand (participates in β ladder)trans161.3-177.9-178.500000113.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.41Å; G99-G111 CarbonylContact O-C 3.54Å; G99-G111 WeakPolarHBondContact O-CA 3.42Å; G99-Y112 PolarHBondContact N-O 3.15Å; G99-Y112 PolarHBondContact O-N 3.26Å; G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.37Å
100C98.7Very high96.6Very high0 Ų049.1 Ų49.10%025%0.248CC..EExtended strand (participates in β ladder)trans-135.7152.5-175.955.50000111.3S3 M4 F108 R110 C163S3-C100 CarbonylContact C-O 3.46Å; S3-C100 WeakPolarHBondContact CA-O 3.49Å; M4-C100 PolarHBondContact N-O 2.95Å; M4-C100 PolarHBondContact O-N 3.25Å; C100-F108 HydrophobicContact CB-CD2 4.44Å; C100-F108 HydrophobicContact CB-CE2 4.16Å; C100-R110 CarbonylContact C-O 3.53Å; C100-R110 VanDerWaalsContact CA-O 3.3Å; C100-R110 WeakPolarHBondContact CA-O 3.32Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.08Å; C100-C163 PolarHBondContact N-SG 2.97Å; C100-C163 VanDerWaalsContact N-SG 3.39Å; C100-C163 WeakPolarHBondContact SG-CB 3.17Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.04Å
101D98.4Very high96.9Very high26 Ų2648.3 Ų48.314%0.13924%0.24CC..EExtended strand (participates in β ladder)trans-114.5142.7173.5-60.1-11.9000109.6H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.57Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; S3-D101 WeakPolarHBondContact CB-OD1 3.37Å; R5-D101 IonicContact CZ-OD1 2.81Å; R5-D101 IonicContact NE-OD1 3.12Å; R5-D101 PolarHBondContact NE-OD1 3.49Å; R5-D101 VanDerWaalsContact NH2-CG 3.27Å; R5-D101 IonicContact NH2-OD1 3.4Å; R5-D101 PolarHBondContact NH2-OD1 2.89Å; R5-D101 IonicContact NH2-OD2 3.71Å; R5-D101 PolarHBondContact NH2-OD2 3.44Å; D101-L109 HydrophobicContact CB-CB 4.37Å; D101-L109 PolarHBondContact O-N 3.17Å; D101-R110 HydrophobicContact CB-CB 4.36Å; D101-R110 PolarHBondContact N-O 3.14Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.4Å; D101-Y112 PolarHBondContact OD2-OH 3.3Å
102V97.8Very high96.9Very high0 Ų046.6 Ų46.60%022%0.223CC..EExtended strand (participates in β ladder)trans-124.3145.1175.3-61.30000111.6S1 H2 W106 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.3Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.29Å; H2-V102 HydrophobicContact CB-CG2 3.98Å; H2-V102 PolarHBondContact N-O 3.22Å; H2-V102 PolarHBondContact O-N 3.27Å; V102-W106 HydrophobicContact CG2-CE3 4.26Å; V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.47Å; V102-V164 HydrophobicContact CG1-CB 4.36Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 3.98Å; V102-L167 HydrophobicContact CB-CD2 4.41Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.68Å; V102-L167 HydrophobicContact CG2-CG 4.3Å
103G95.6Very high97Very high6 Ų646.2 Ų46.26%0.06222%0.221CC..  trans-70.6173.4175.400000112.2D105 W106 R107 L109G103-D105 PolarHBondContact O-N 3.28Å; G103-W106 PolarHBondContact O-N 3Å; G103-R107 PolarHBondContact N-O 2.72Å; G103-L109 VanDerWaalsContact CA-CD1 3.47Å
104S90.9Very high97Very high106 Ų10648 Ų4874%0.74123%0.226SC*.THydrogen-bonded Turntrans-62.5-21.2170.747.80000112.8W106S104-W106 VanDerWaalsContact C-N 3.26Å
105D91.6Very high97Very high85 Ų8548.9 Ų48.946%0.45523%0.23SC..THydrogen-bonded Turntrans-88.510.8173.370.9-18.5000113.2G103 R107G103-D105 PolarHBondContact O-N 3.28Å; D105-R107 PolarHBondContact O-N 3.23Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 PolarHBondContact OD1-N 3.46Å; D105-R107 VanDerWaalsContact OD1-N 3.13Å; D105-R107 WeakPolarHBondContact OD2-CD 3.4Å; D105-R107 VanDerWaalsContact OD2-CG 3.28Å; D105-R107 WeakPolarHBondContact OD2-CG 3.32Å; D105-R107 IonicContact OD2-NE 3.87Å; D105-R107 PolarHBondContact OD2-NE 2.92Å
106W89.9Confident97Very high91 Ų9146.1 Ų46.135%0.34522%0.22SC..SBendtrans66.56.4-179.1-53.3103.7000115.3H2 V102 G103 S104 R168 L171H2-W106 AromaticContact CD2-CH2 3.99Å; H2-W106 AromaticContact CD2-CZ3 3.96Å; V102-W106 HydrophobicContact CG2-CE3 4.26Å; G103-W106 PolarHBondContact O-N 3Å; S104-W106 VanDerWaalsContact C-N 3.26Å; W106-R168 HydrophobicContact CE3-CG 4.13Å; W106-R168 PolarHBondContact O-NE 3.28Å; W106-R168 PolarHBondContact O-NH2 2.95Å; W106-L171 HydrophobicContact CH2-CB 4.21Å; W106-L171 HydrophobicContact CH2-CD1 4.03Å; W106-L171 HydrophobicContact CZ3-CB 4.21Å; W106-L171 HydrophobicContact CZ3-CD1 3.45Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.45Å; W106-L171 HydrophobicContact CZ3-CG 4.43Å
107R95.3Very high97Very high172 Ų17245.5 Ų45.565%0.64922%0.218SC*.  trans-81.1148.4-180-63.8-171.9-175.1-176-2111.2V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.47Å; G103-R107 PolarHBondContact N-O 2.72Å; D105-R107 PolarHBondContact O-N 3.23Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 PolarHBondContact OD1-N 3.46Å; D105-R107 VanDerWaalsContact OD1-N 3.13Å; D105-R107 WeakPolarHBondContact OD2-CD 3.4Å; D105-R107 VanDerWaalsContact OD2-CG 3.28Å; D105-R107 WeakPolarHBondContact OD2-CG 3.32Å; D105-R107 IonicContact OD2-NE 3.87Å; D105-R107 PolarHBondContact OD2-NE 2.92Å; R107-L109 PolarHBondContact O-N 3.2Å
108F97.9Very high96.9Very high57 Ų5747.4 Ų47.425%0.2523%0.228CC..EExtended strand (participates in β ladder)trans-55.4129.6172.6177.8-99.7000110.4C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.44Å; C100-F108 HydrophobicContact CB-CE2 4.16Å; F108-R110 VanDerWaalsContact CE2-C 3.45Å; F108-R110 WeakPolarHBondContact CE2-O 3.27Å; F108-G111 VanDerWaalsContact CZ-N 3.28Å; F108-L129 HydrophobicContact CE1-CD1 3.95Å; F108-L129 HydrophobicContact CZ-CD1 3.67Å; F108-L159 HydrophobicContact CE2-CB 4.48Å; F108-L159 WeakPolarHBondContact CE2-O 3.42Å; F108-E160 HydrophobicContact CD1-CG 4.06Å; F108-E160 HydrophobicContact CE1-CG 3.91Å; F108-E160 HydrophobicContact CE2-CG 4.36Å; F108-E160 HydrophobicContact CG-CG 4.36Å; F108-E160 HydrophobicContact CZ-CG 4.06Å; F108-V164 HydrophobicContact CB-CG2 4.1Å; F108-V164 HydrophobicContact CD2-CG2 3.76Å; F108-V164 HydrophobicContact CG-CG2 4.42Å
109L97.4Very high96.9Very high106 Ų10649.4 Ų49.456%0.55525%0.254SS*.EExtended strand (participates in β ladder)trans-109.7-48.6175-68-178.5000111.9D101 G103 R107D101-L109 HydrophobicContact CB-CB 4.37Å; D101-L109 PolarHBondContact O-N 3.17Å; G103-L109 VanDerWaalsContact CA-CD1 3.47Å; R107-L109 PolarHBondContact O-N 3.2Å
110R97.6Very high96.9Very high95 Ų9557 Ų5736%0.35829%0.287SS..EExtended strand (participates in β ladder)trans-155.5147.2-171.5-172.1163.3170146.59.6111.4C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.53Å; C100-R110 VanDerWaalsContact CA-O 3.3Å; C100-R110 WeakPolarHBondContact CA-O 3.32Å; D101-R110 HydrophobicContact CB-CB 4.36Å; D101-R110 PolarHBondContact N-O 3.14Å; F108-R110 VanDerWaalsContact CE2-C 3.45Å; F108-R110 WeakPolarHBondContact CE2-O 3.27Å; R110-Y112 HydrophobicContact CB-CE2 4.14Å; R110-Y112 VanDerWaalsContact CD-CZ 3.49Å; R110-Y112 WeakPolarHBondContact CD-OH 3.4Å; R110-Y112 HydrophobicContact CG-CE1 4.14Å; R110-Y112 HydrophobicContact CG-CE2 3.77Å; R110-Y112 PolarHBondContact NE-OH 3.18Å; R110-E127 IonicContact CZ-OE1 2.78Å; R110-E127 VanDerWaalsContact NH1-CD 3.3Å; R110-E127 IonicContact NH1-OE1 3.26Å; R110-E127 PolarHBondContact NH1-OE1 2.88Å; R110-E127 IonicContact NH1-OE2 3.35Å; R110-E127 IonicContact NH2-OE1 3.67Å; R110-E127 PolarHBondContact NH2-OE1 2.99Å
111G98.2Very high96.9Very high5 Ų562.9 Ų62.95%0.05232%0.319CS..EExtended strand (participates in β ladder)trans-122.4150.117500000110.3G99 F108G99-G111 CarbonylContact O-C 3.54Å; G99-G111 WeakPolarHBondContact O-CA 3.42Å; F108-G111 VanDerWaalsContact CZ-N 3.28Å
112Y98.4Very high96.9Very high40 Ų4062.1 Ų62.116%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-131.9140.7-179.2-53.2-97.6000109.4R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact CZ-CE2 3.42Å; R5-Y112 PolarHBondContact NH2-OH 3.21Å; M97-Y112 HydrophobicContact CE-CD1 4.18Å; M97-Y112 HydrophobicContact CE-CG 4.13Å; Y98-Y112 WeakPolarHBondContact CA-O 3.28Å; Y98-Y112 VanDerWaalsContact CB-O 3.29Å; Y98-Y112 WeakPolarHBondContact CB-O 3.48Å; G99-Y112 PolarHBondContact N-O 3.15Å; G99-Y112 PolarHBondContact O-N 3.26Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.4Å; D101-Y112 PolarHBondContact OD2-OH 3.3Å; R110-Y112 HydrophobicContact CB-CE2 4.14Å; R110-Y112 VanDerWaalsContact CD-CZ 3.49Å; R110-Y112 WeakPolarHBondContact CD-OH 3.4Å; R110-Y112 HydrophobicContact CG-CE1 4.14Å; R110-Y112 HydrophobicContact CG-CE2 3.77Å; R110-Y112 PolarHBondContact NE-OH 3.18Å
113H98.6Very high96.9Very high6 Ų662.3 Ų62.33%0.02832%0.315CS..EExtended strand (participates in β ladder)trans-158.5103.2169.1-176.2-88.7000109R96 M97 Y115 L125 W132 W146 L155R96-H113 PolarHBondContact NE-NE2 3.47Å; R96-H113 VanDerWaalsContact NE-NE2 3.14Å; R96-H113 PolarHBondContact NH2-CD2 3.31Å; R96-H113 VanDerWaalsContact NH2-CD2 3.32Å; R96-H113 PolarHBondContact NH2-NE2 3.42Å; M97-H113 WeakPolarHBondContact O-CA 3.45Å; H113-Y115 AromaticContact CE1-CE2 3.45Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.45Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.37Å; H113-Y115 AromaticContact NE2-CE2 3.87Å; H113-L125 HydrophobicContact CB-CB 3.99Å; H113-L125 HydrophobicContact CB-CD2 4.14Å; H113-L125 WeakPolarHBondContact O-CB 3.33Å; H113-L125 PolarHBondContact O-N 3.45Å; H113-W132 AromaticContact ND1-CH2 3.68Å; H113-W132 AromaticContact ND1-CZ3 3.74Å; H113-W146 AromaticContact CE1-CH2 3.9Å; H113-W146 AromaticContact CE1-CZ3 3.95Å; H113-L155 HydrophobicContact CB-CD1 4.32Å
114Q98.5Very high97.1Very high73 Ų7363.5 Ų63.534%0.34132%0.324SS..EExtended strand (participates in β ladder)trans-139.9147-173.263.4-166.361.300111.8R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.59Å; R96-Q114 VanDerWaalsContact CA-O 3.32Å; R96-Q114 WeakPolarHBondContact CA-O 3.49Å; M97-Q114 HydrophobicContact CB-CG 4.05Å; M97-Q114 HydrophobicContact CE-CG 4.05Å; M97-Q114 PolarHBondContact N-O 3.43Å; M97-Q114 PolarHBondContact O-N 3.2Å; Q114-I123 CarbonylContact C-O 3.55Å; Q114-I123 WeakPolarHBondContact CA-O 3.38Å; Q114-A124 HydrophobicContact CB-CB 3.86Å
115Y98.6Very high97.5Very high21 Ų2159.1 Ų59.18%0.08229%0.293CS..EExtended strand (participates in β ladder)trans-119.6146.2175.4-76.8-107.8000110.5V94 Q95 R96 H113 Y122 I123 W146V94-Y115 HydrophobicContact CG1-CD1 4.01Å; V94-Y115 HydrophobicContact CG1-CE1 4.38Å; Q95-Y115 CarbonylContact O-C 3.58Å; Q95-Y115 WeakPolarHBondContact O-CA 3.38Å; R96-Y115 HydrophobicContact CB-CD1 4Å; R96-Y115 HydrophobicContact CB-CE1 3.84Å; R96-Y115 HydrophobicContact CB-CE2 4.36Å; R96-Y115 HydrophobicContact CB-CG 4.37Å; R96-Y115 VanDerWaalsContact CD-OH 3.24Å; R96-Y115 WeakPolarHBondContact CD-OH 3.28Å; R96-Y115 HydrophobicContact CG-CD1 4.3Å; R96-Y115 HydrophobicContact CG-CD2 4.03Å; R96-Y115 HydrophobicContact CG-CE1 3.95Å; R96-Y115 HydrophobicContact CG-CE2 3.62Å; R96-Y115 HydrophobicContact CG-CG 4.36Å; R96-Y115 PolarHBondContact NE-OH 2.83Å; H113-Y115 AromaticContact CE1-CE2 3.45Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.45Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.37Å; H113-Y115 AromaticContact NE2-CE2 3.87Å; Y115-Y122 WeakPolarHBondContact O-CB 3.15Å; Y115-Y122 PolarHBondContact O-N 2.89Å; Y115-I123 HydrophobicContact CD2-CG2 4.45Å; Y115-I123 PolarHBondContact N-O 3.2Å; Y115-I123 PolarHBondContact O-N 2.84Å; Y115-W146 AromaticContact CD2-CH2 3.86Å; Y115-W146 HydrophobicContact CD2-CH2 3.86Å; Y115-W146 AromaticContact CE2-CH2 3.58Å; Y115-W146 HydrophobicContact CE2-CH2 3.58Å; Y115-W146 HydrophobicContact CE2-CZ2 4.39Å; Y115-W146 HydrophobicContact CE2-CZ3 4.49Å
116A98.8Very high97.8Very high17 Ų1759.4 Ų59.414%0.1429%0.29CS..EExtended strand (participates in β ladder)trans-126.114816800000110Q95 K120Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 2.95Å; Q95-A116 PolarHBondContact O-N 2.8Å; A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.46Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.43Å
117Y98.6Very high98.1Very high10 Ų1061.5 Ų61.54%0.03930%0.303CS..EExtended strand (participates in β ladder)trans-127.5127.9177-174.1-120.3000109.9L77 L80 R81 Y84 Q86 H92 T93 V94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.39Å; L80-Y117 HydrophobicContact CB-CD1 4.32Å; L80-Y117 HydrophobicContact CB-CD2 4.08Å; L80-Y117 HydrophobicContact CB-CE1 4.02Å; L80-Y117 HydrophobicContact CB-CE2 3.78Å; L80-Y117 HydrophobicContact CB-CG 4.33Å; L80-Y117 HydrophobicContact CD1-CD2 3.6Å; L80-Y117 HydrophobicContact CD1-CE2 4.02Å; L80-Y117 HydrophobicContact CD1-CG 4Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; R81-Y117 PolarHBondContact N-OH 2.86Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.47Å; Y84-Y117 HydrophobicContact CD2-CE1 3.47Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.47Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CE2-CE1 3.77Å; Y84-Y117 HydrophobicContact CE2-CG 4.42Å; Y84-Y117 HydrophobicContact CG-CE1 4.4Å; Q86-Y117 PolarHBondContact OE1-OH 3.33Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 WeakPolarHBondContact CB-OH 3.46Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 3.23Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.16Å; T93-Y117 WeakPolarHBondContact O-CD2 3.19Å; V94-Y117 HydrophobicContact CG2-CD2 3.65Å; V94-Y117 HydrophobicContact CG2-CE2 3.98Å; Y117-G119 PolarHBondContact O-N 3.46Å; Y117-G119 VanDerWaalsContact O-N 3.17Å; Y117-K120 PolarHBondContact N-O 3.17Å; Y117-K120 PolarHBondContact O-N 3.22Å
118D98.1Very high98.2Very high61 Ų6157.1 Ų57.133%0.32629%0.293SS..THydrogen-bonded Turntrans49.440-175.6-66.8-20000113.3Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.84Å; H92-D118 WeakPolarHBondContact CA-OD1 3.38Å; H92-D118 IonicContact CE1-OD2 3.82Å; H92-D118 IonicContact CG-OD1 3.01Å; H92-D118 IonicContact CG-OD2 3.65Å; H92-D118 IonicContact ND1-OD1 3.64Å; H92-D118 IonicContact ND1-OD2 2.71Å; H92-D118 PolarHBondContact ND1-OD2 2.84Å; T93-D118 PolarHBondContact N-OD1 3.19Å; T93-D118 PolarHBondContact O-N 2.89Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.89Å
119G97.3Very high98.3Very high60 Ų6054.6 Ų54.662%0.61928%0.282SS*.THydrogen-bonded Turntrans77.46.7178.300000115.3Y117Y117-G119 PolarHBondContact O-N 3.46Å; Y117-G119 VanDerWaalsContact O-N 3.17Å
120K98.4Very high98.2Very high160 Ų16057.6 Ų57.670%0.69629%0.286SS*.EExtended strand (participates in β ladder)trans-113.1145.5176.8-62.1179.4-177.4177.10110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.46Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.43Å; Y117-K120 PolarHBondContact N-O 3.17Å; Y117-K120 PolarHBondContact O-N 3.22Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.89Å; K120-Y122 PolarHBondContact O-N 2.81Å
121D98.6Very high98.2Very high124 Ų12454.3 Ų54.366%0.66328%0.278SS*.EExtended strand (participates in β ladder)trans-53.9137.4173.4-70.2-29.2000110.7A135D121-A135 HydrophobicContact CB-CB 4.34Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å
122Y98.7Very high98.2Very high9 Ų954.2 Ų54.24%0.03528%0.275CS..EExtended strand (participates in β ladder)trans-114.8-65.6178.9-179.8-113.2000110.8L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.25Å; L80-Y122 HydrophobicContact CD2-CD2 4.14Å; L80-Y122 HydrophobicContact CD2-CE1 3.64Å; L80-Y122 HydrophobicContact CD2-CE2 3.47Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.47Å; L80-Y122 HydrophobicContact CD2-CG 4.48Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.48Å; Y84-Y122 HydrophobicContact CE2-CD2 4.48Å; Y84-Y122 HydrophobicContact CE2-CE2 4.2Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.25Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.27Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.4Å; Y115-Y122 WeakPolarHBondContact O-CB 3.15Å; Y115-Y122 PolarHBondContact O-N 2.89Å; K120-Y122 PolarHBondContact O-N 2.81Å; Y122-A135 WeakPolarHBondContact O-CB 3.22Å; Y122-A135 PolarHBondContact O-N 3.46Å; Y122-A138 HydrophobicContact CE2-CB 4.41Å; Y122-A138 PolarHBondContact OH-O 3.21Å; Y122-A139 HydrophobicContact CD2-CB 3.73Å; Y122-A139 VanDerWaalsContact CE2-CA 3.42Å; Y122-A139 HydrophobicContact CE2-CB 3.59Å; Y122-A139 HydrophobicContact CG-CB 4.29Å; Y122-A139 WeakPolarHBondContact O-CB 3.41Å; Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.4Å; Y122-T142 PolarHBondContact OH-OG1 2.82Å
123I98.8Very high98.3Very high4 Ų456 Ų562%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-147.5139.8178.7-163.9174.6000110.4Q114 Y115 W132 T133 T142 K143 W146Q114-I123 CarbonylContact C-O 3.55Å; Q114-I123 WeakPolarHBondContact CA-O 3.38Å; Y115-I123 HydrophobicContact CD2-CG2 4.45Å; Y115-I123 PolarHBondContact N-O 3.2Å; Y115-I123 PolarHBondContact O-N 2.84Å; I123-W132 HydrophobicContact CD1-CB 4.27Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CD1-CG 4.45Å; I123-W132 HydrophobicContact CG1-CB 4.36Å; I123-W132 HydrophobicContact CG1-CE3 4.04Å; I123-T133 CarbonylContact C-O 3.53Å; I123-T133 WeakPolarHBondContact CA-O 3.03Å; I123-T133 WeakPolarHBondContact CG1-O 3.48Å; I123-T142 HydrophobicContact CD1-CG2 4.05Å; I123-K143 HydrophobicContact CD1-CB 3.82Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CH2 4.1Å; I123-W146 HydrophobicContact CG2-CZ3 3.82Å
124A98.8Very high98.3Very high31 Ų3156.5 Ų56.526%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-135.3137.4179.700000111.7Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.86Å; A124-W132 WeakPolarHBondContact O-CA 3.44Å; A124-T133 PolarHBondContact N-O 2.9Å; A124-T133 PolarHBondContact O-N 3.21Å
125L98.8Very high98.2Very high15 Ų1555.9 Ų55.98%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-69.6130.2168.9-174.265.2000108.7H113 L129 W132 A152 L155 L159H113-L125 HydrophobicContact CB-CB 3.99Å; H113-L125 HydrophobicContact CB-CD2 4.14Å; H113-L125 WeakPolarHBondContact O-CB 3.33Å; H113-L125 PolarHBondContact O-N 3.45Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.74Å; L125-L129 HydrophobicContact CG-CD2 4.27Å; L125-W132 HydrophobicContact CB-CE3 4.02Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.66Å; L125-W132 HydrophobicContact CD1-CD2 4.15Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.15Å; L125-W132 HydrophobicContact CG-CZ3 4.48Å; L125-A152 HydrophobicContact CD1-CB 4.06Å; L125-L155 HydrophobicContact CD2-CB 4.38Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å
126K98.4Very high98.2Very high90 Ų9057.8 Ų57.839%0.39132%0.315SS..  trans-74166.3177.9-63.4-162.7-156.2163.60111.4D128 L129 S131 W132 T133K126-D128 PolarHBondContact O-N 2.91Å; K126-D128 VanDerWaalsContact O-N 3.13Å; K126-L129 PolarHBondContact O-N 3.29Å; K126-S131 WeakPolarHBondContact CB-O 3.31Å; K126-S131 VanDerWaalsContact CD-OG 3.25Å; K126-S131 WeakPolarHBondContact CD-OG 3.46Å; K126-S131 WeakPolarHBondContact CG-O 3.41Å; K126-S131 PolarHBondContact N-O 2.97Å; K126-W132 WeakPolarHBondContact CE-O 3.25Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.22Å; K126-T133 WeakPolarHBondContact CG-OG1 3.47Å
127E97.4Very high98.1Very high135 Ų13564.3 Ų64.363%0.63135%0.345SS*.THydrogen-bonded Turntrans-59.1-23.9178.9-64.9-179.4-172.500113.6R110 L129R110-E127 IonicContact CZ-OE1 2.78Å; R110-E127 VanDerWaalsContact NH1-CD 3.3Å; R110-E127 IonicContact NH1-OE1 3.26Å; R110-E127 PolarHBondContact NH1-OE1 2.88Å; R110-E127 IonicContact NH1-OE2 3.35Å; R110-E127 IonicContact NH2-OE1 3.67Å; R110-E127 PolarHBondContact NH2-OE1 2.99Å; E127-L129 PolarHBondContact O-N 3.1Å
128D97.4Very high98Very high80 Ų8064.5 Ų64.543%0.42835%0.348SS..THydrogen-bonded Turntrans-71-9.7174.767.111.9000114K126 R130 S131K126-D128 PolarHBondContact O-N 2.91Å; K126-D128 VanDerWaalsContact O-N 3.13Å; D128-R130 WeakPolarHBondContact O-CG 3.33Å; D128-R130 PolarHBondContact O-N 2.85Å; D128-R130 VanDerWaalsContact O-N 3.15Å; D128-R130 PolarHBondContact OD1-N 3.25Å; D128-S131 PolarHBondContact OD1-N 3.18Å; D128-S131 PolarHBondContact OD1-OG 3.14Å; D128-S131 PolarHBondContact OD2-OG 3.09Å
129L98Very high98Very high5 Ų561.6 Ų61.63%0.02633%0.332CS..SBendtrans53.326-175-51.5179.2000114.3F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 3.95Å; F108-L129 HydrophobicContact CZ-CD1 3.67Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.74Å; L125-L129 HydrophobicContact CG-CD2 4.27Å; K126-L129 PolarHBondContact O-N 3.29Å; E127-L129 PolarHBondContact O-N 3.1Å; L129-R156 HydrophobicContact CB-CB 4.11Å; L129-R156 HydrophobicContact CB-CG 3.92Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; L129-L159 HydrophobicContact CD2-CD1 4.14Å; L129-E160 HydrophobicContact CD1-CG 3.94Å
130R97.1Very high98.1Very high169 Ų16961.4 Ų61.464%0.63832%0.315SS*.SBendtrans-130.6-32.2-176.1-70174.2-171.3-150.63.6112.3D128D128-R130 WeakPolarHBondContact O-CG 3.33Å; D128-R130 PolarHBondContact O-N 2.85Å; D128-R130 VanDerWaalsContact O-N 3.15Å; D128-R130 PolarHBondContact OD1-N 3.25Å
131S97.4Very high98Very high26 Ų2656.7 Ų56.718%0.18230%0.3CS..  trans-118.4161.7-175.971.40000112.3K126 D128K126-S131 WeakPolarHBondContact CB-O 3.31Å; K126-S131 VanDerWaalsContact CD-OG 3.25Å; K126-S131 WeakPolarHBondContact CD-OG 3.46Å; K126-S131 WeakPolarHBondContact CG-O 3.41Å; K126-S131 PolarHBondContact N-O 2.97Å; D128-S131 PolarHBondContact OD1-N 3.18Å; D128-S131 PolarHBondContact OD1-OG 3.14Å; D128-S131 PolarHBondContact OD2-OG 3.09Å
132W98.6Very high98Very high2 Ų251.6 Ų51.61%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-117.4143.9-174.6-60.594.1000111.8H113 I123 A124 L125 K126 K143 W146 V151 A152 L155H113-W132 AromaticContact ND1-CH2 3.68Å; H113-W132 AromaticContact ND1-CZ3 3.74Å; I123-W132 HydrophobicContact CD1-CB 4.27Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CD1-CG 4.45Å; I123-W132 HydrophobicContact CG1-CB 4.36Å; I123-W132 HydrophobicContact CG1-CE3 4.04Å; A124-W132 WeakPolarHBondContact O-CA 3.44Å; L125-W132 HydrophobicContact CB-CE3 4.02Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.66Å; L125-W132 HydrophobicContact CD1-CD2 4.15Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.15Å; L125-W132 HydrophobicContact CG-CZ3 4.48Å; K126-W132 WeakPolarHBondContact CE-O 3.25Å; W132-K143 HydrophobicContact CB-CD 4.14Å; W132-K143 HydrophobicContact CB-CG 3.97Å; W132-W146 HydrophobicContact CD2-CE3 4.02Å; W132-W146 AromaticContact CE2-CE3 3.83Å; W132-W146 AromaticContact CE3-CE3 3.84Å; W132-W146 HydrophobicContact CE3-CE3 3.84Å; W132-W146 AromaticContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CH2-CD2 4.41Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 AromaticContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CZ2-CD2 4.36Å; W132-W146 AromaticContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CE3 3.46Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CZ3 4.06Å; W132-W146 AromaticContact CZ3-CE3 3.47Å; W132-W146 HydrophobicContact CZ3-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.47Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; W132-V151 HydrophobicContact CZ2-CB 4.35Å; W132-V151 HydrophobicContact CZ2-CG1 4.11Å; W132-A152 HydrophobicContact CZ2-CB 4.22Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.87Å
133T98.6Very high98Very high77 Ų7753.3 Ų53.347%0.47228%0.281SS..EExtended strand (participates in β ladder)trans-103.2119.9165-60.10000108.2I123 A124 K126I123-T133 CarbonylContact C-O 3.53Å; I123-T133 WeakPolarHBondContact CA-O 3.03Å; I123-T133 WeakPolarHBondContact CG1-O 3.48Å; A124-T133 PolarHBondContact N-O 2.9Å; A124-T133 PolarHBondContact O-N 3.21Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.22Å; K126-T133 WeakPolarHBondContact CG-OG1 3.47Å
134A98.6Very high97.9Very high17 Ų1758.8 Ų58.814%0.1431%0.306CS..EExtended strand (participates in β ladder)trans-103.4134.5174.200000109.1A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.38Å; A134-K143 HydrophobicContact CB-CB 4.29Å; A134-K143 HydrophobicContact CB-CD 4.22Å
135A98.3Very high97.9Very high60 Ų6062.4 Ų62.450%0.49632%0.316SS..SBendtrans-77.1-31.8-174.100000113.2D121 Y122D121-A135 HydrophobicContact CB-CB 4.34Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å; Y122-A135 WeakPolarHBondContact O-CB 3.22Å; Y122-A135 PolarHBondContact O-N 3.46Å
136D97.9Very high97.9Very high61 Ų6164 Ų6433%0.32632%0.321SS..SBendtrans-151.3-173.7-179.365.827.3000112.9Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.31Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 PolarHBondContact OH-OD1 2.94Å; Y84-D136 PolarHBondContact OH-OD2 3.12Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 2.8Å; D136-A138 WeakPolarHBondContact OD1-CA 3.36Å; D136-A138 WeakPolarHBondContact OD1-CB 3.3Å; D136-A138 PolarHBondContact OD1-N 3.12Å; D136-A139 WeakPolarHBondContact O-CB 3.12Å; D136-A139 PolarHBondContact O-N 3.13Å; D136-A139 PolarHBondContact OD1-N 2.85Å; D136-Q140 WeakPolarHBondContact O-CG 3.28Å; D136-Q140 PolarHBondContact O-N 2.99Å
137M96.6Very high97.9Very high155 Ų15563.5 Ų63.576%0.76432%0.32SS*.Hα-helixtrans-65.3-32-178.3-67.5-55.7-59.500113.7Q140M137-Q140 PolarHBondContact O-N 2.78Å; M137-Q140 HydrophobicContact SD-CG 4.47Å
138A96.5Very high97.9Very high13 Ų1360.4 Ų60.411%0.10732%0.318CS..Hα-helixtrans-68.2-44.3174.700000109.6Y84 Y122 D136 Q140 T141Y84-A138 HydrophobicContact CD1-CB 4.12Å; Y84-A138 HydrophobicContact CE1-CB 3.55Å; Y84-A138 HydrophobicContact CE2-CB 3.99Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.41Å; Y122-A138 PolarHBondContact OH-O 3.21Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 2.8Å; D136-A138 WeakPolarHBondContact OD1-CA 3.36Å; D136-A138 WeakPolarHBondContact OD1-CB 3.3Å; D136-A138 PolarHBondContact OD1-N 3.12Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 2.93Å; A138-T141 VanDerWaalsContact O-CB 3.26Å; A138-T141 WeakPolarHBondContact O-CB 3.27Å; A138-T141 PolarHBondContact O-N 3.22Å
139A98.2Very high97.9Very high0 Ų061.8 Ų61.80%033%0.325CS..Hα-helixtrans-61.9-31.5175.300000113.8Y122 A134 D136 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.73Å; Y122-A139 VanDerWaalsContact CE2-CA 3.42Å; Y122-A139 HydrophobicContact CE2-CB 3.59Å; Y122-A139 HydrophobicContact CG-CB 4.29Å; Y122-A139 WeakPolarHBondContact O-CB 3.41Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 WeakPolarHBondContact O-CB 3.12Å; D136-A139 PolarHBondContact O-N 3.13Å; D136-A139 PolarHBondContact OD1-N 2.85Å; A139-T141 PolarHBondContact O-N 3.25Å; A139-T142 PolarHBondContact O-N 2.89Å; A139-K143 PolarHBondContact O-N 3.29Å
140Q98.3Very high97.9Very high57 Ų5766.7 Ų66.727%0.26635%0.348SS..Hα-helixtrans-57.9-36.8172.3-66.4-62.3-20.500111.4A134 D136 M137 A138 T142 K143 H144A134-Q140 HydrophobicContact CB-CG 4.38Å; D136-Q140 WeakPolarHBondContact O-CG 3.28Å; D136-Q140 PolarHBondContact O-N 2.99Å; M137-Q140 PolarHBondContact O-N 2.78Å; M137-Q140 HydrophobicContact SD-CG 4.47Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 2.93Å; Q140-T142 PolarHBondContact O-N 3.19Å; Q140-K143 WeakPolarHBondContact O-CB 3.41Å; Q140-K143 PolarHBondContact O-N 3.26Å; Q140-H144 PolarHBondContact O-CD2 2.83Å; Q140-H144 PolarHBondContact O-N 2.86Å
141T97.2Very high97.9Very high60 Ų6059.9 Ų59.937%0.36833%0.325SS..Hα-helixtrans-61.9-43.7177.6-56.40000111.5Y83 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.23Å; Y83-T141 HydrophobicContact CE2-CG2 4.03Å; A138-T141 VanDerWaalsContact O-CB 3.26Å; A138-T141 WeakPolarHBondContact O-CB 3.27Å; A138-T141 PolarHBondContact O-N 3.22Å; A139-T141 PolarHBondContact O-N 3.25Å; T141-K145 WeakPolarHBondContact O-CG 3.4Å; T141-K145 PolarHBondContact O-N 3.49Å
142T97.9Very high97.9Very high18 Ų1859 Ų5911%0.1132%0.319CS..Hα-helixtrans-66.1-42.8174.2-68.50000111.5Y122 I123 A139 Q140 H144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.4Å; Y122-T142 PolarHBondContact OH-OG1 2.82Å; I123-T142 HydrophobicContact CD1-CG2 4.05Å; A139-T142 PolarHBondContact O-N 2.89Å; Q140-T142 PolarHBondContact O-N 3.19Å; T142-H144 PolarHBondContact O-N 3.01Å; T142-K145 PolarHBondContact O-N 3.47Å; T142-W146 HydrophobicContact CG2-CD2 3.84Å; T142-W146 HydrophobicContact CG2-CE3 4.33Å; T142-W146 HydrophobicContact CG2-CG 4.17Å; T142-W146 HydrophobicContact CG2-CH2 4.47Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 PolarHBondContact O-N 3.32Å
143K98.6Very high97.9Very high44 Ų4465 Ų6519%0.19135%0.347CS..Hα-helixtrans-55-50.9177.7172.9176.9171.3-166.20111.8I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.82Å; W132-K143 HydrophobicContact CB-CD 4.14Å; W132-K143 HydrophobicContact CB-CG 3.97Å; A134-K143 HydrophobicContact CB-CB 4.29Å; A134-K143 HydrophobicContact CB-CD 4.22Å; A139-K143 PolarHBondContact O-N 3.29Å; Q140-K143 WeakPolarHBondContact O-CB 3.41Å; Q140-K143 PolarHBondContact O-N 3.26Å; K143-K145 VanDerWaalsContact C-N 3.3Å; K143-K145 PolarHBondContact O-N 3.49Å; K143-W146 PolarHBondContact O-N 2.74Å; K143-E147 WeakPolarHBondContact CE-OE1 3.34Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 IonicContact NZ-OE1 2.83Å; K143-E147 WeakPolarHBondContact O-CB 3.38Å; K143-E147 WeakPolarHBondContact O-CG 3.4Å; K143-E147 PolarHBondContact O-N 3.44Å
144H98.3Very high97.8Very high119 Ų11968.2 Ų68.255%0.55136%0.357SS*.Hα-helixtrans-60.8-39.5-179.1-77-127.5000112Q140 T142 A148Q140-H144 PolarHBondContact O-CD2 2.83Å; Q140-H144 PolarHBondContact O-N 2.86Å; T142-H144 PolarHBondContact O-N 3.01Å; H144-A148 WeakPolarHBondContact O-CB 3.44Å; H144-A148 PolarHBondContact O-N 2.86Å
145K97.6Very high97.8Very high107 Ų10768.5 Ų68.547%0.46536%0.356SS..Hα-helixtrans-63.1-49.6174.7-71.4177.6176.3-176.40111.4Y83 T141 T142 K143 E147 A148 D149Y83-K145 PolarHBondContact OH-NZ 3.43Å; T141-K145 WeakPolarHBondContact O-CG 3.4Å; T141-K145 PolarHBondContact O-N 3.49Å; T142-K145 PolarHBondContact O-N 3.47Å; K143-K145 VanDerWaalsContact C-N 3.3Å; K143-K145 PolarHBondContact O-N 3.49Å; K145-E147 VanDerWaalsContact C-N 3.31Å; K145-E147 PolarHBondContact O-N 2.83Å; K145-A148 PolarHBondContact O-N 3.18Å; K145-D149 WeakPolarHBondContact O-CB 3.33Å; K145-D149 PolarHBondContact O-N 2.87Å
146W98.1Very high97.7Very high50 Ų5069.3 Ų69.319%0.18935%0.346CS..Hα-helixtrans-66.8-31.3-178.4-75.58.7000113.6H113 Y115 I123 W132 T142 K143 H150 V151H113-W146 AromaticContact CE1-CH2 3.9Å; H113-W146 AromaticContact CE1-CZ3 3.95Å; Y115-W146 AromaticContact CD2-CH2 3.86Å; Y115-W146 HydrophobicContact CD2-CH2 3.86Å; Y115-W146 AromaticContact CE2-CH2 3.58Å; Y115-W146 HydrophobicContact CE2-CH2 3.58Å; Y115-W146 HydrophobicContact CE2-CZ2 4.39Å; Y115-W146 HydrophobicContact CE2-CZ3 4.49Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CH2 4.1Å; I123-W146 HydrophobicContact CG2-CZ3 3.82Å; W132-W146 HydrophobicContact CD2-CE3 4.02Å; W132-W146 AromaticContact CE2-CE3 3.83Å; W132-W146 AromaticContact CE3-CE3 3.84Å; W132-W146 HydrophobicContact CE3-CE3 3.84Å; W132-W146 AromaticContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CH2-CD2 4.41Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 AromaticContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CZ2-CD2 4.36Å; W132-W146 AromaticContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CE3 3.46Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CZ3 4.06Å; W132-W146 AromaticContact CZ3-CE3 3.47Å; W132-W146 HydrophobicContact CZ3-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.47Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; T142-W146 HydrophobicContact CG2-CD2 3.84Å; T142-W146 HydrophobicContact CG2-CE3 4.33Å; T142-W146 HydrophobicContact CG2-CG 4.17Å; T142-W146 HydrophobicContact CG2-CH2 4.47Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 PolarHBondContact O-N 3.32Å; K143-W146 PolarHBondContact O-N 2.74Å; W146-H150 PolarHBondContact O-N 2.72Å; W146-V151 HydrophobicContact CB-CB 3.99Å; W146-V151 HydrophobicContact CB-CG2 3.95Å; W146-V151 HydrophobicContact CD2-CG1 4.28Å; W146-V151 HydrophobicContact CG-CB 4.15Å; W146-V151 HydrophobicContact CG-CG1 4.37Å; W146-V151 HydrophobicContact CG-CG2 3.92Å; W146-V151 PolarHBondContact O-N 2.83Å
147E98.3Very high97.8Very high79 Ų7969.6 Ų69.637%0.36936%0.357SS..Hα-helixtrans-69.6-43.8172-73.4175.6163.400111.4K143 K145 D149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.34Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 IonicContact NZ-OE1 2.83Å; K143-E147 WeakPolarHBondContact O-CB 3.38Å; K143-E147 WeakPolarHBondContact O-CG 3.4Å; K143-E147 PolarHBondContact O-N 3.44Å; K145-E147 VanDerWaalsContact C-N 3.31Å; K145-E147 PolarHBondContact O-N 2.83Å; E147-D149 VanDerWaalsContact C-N 3.31Å; E147-D149 PolarHBondContact O-N 2.89Å; E147-H150 PolarHBondContact O-N 2.83Å
148A98.1Very high97.8Very high69 Ų6965.2 Ų65.257%0.5733%0.333SS*.Hα-helixtrans-64.1-35.3175.800000112.8H144 K145 H150H144-A148 WeakPolarHBondContact O-CB 3.44Å; H144-A148 PolarHBondContact O-N 2.86Å; K145-A148 PolarHBondContact O-N 3.18Å; A148-H150 VanDerWaalsContact C-N 3.31Å; A148-H150 PolarHBondContact O-CD2 3.02Å
149D97.8Very high97.9Very high110 Ų11064.7 Ų64.759%0.58833%0.328SS*.THydrogen-bonded Turntrans-87.94.7179.4-66.1-23.8000113.1K145 E147 V151K145-D149 WeakPolarHBondContact O-CB 3.33Å; K145-D149 PolarHBondContact O-N 2.87Å; E147-D149 VanDerWaalsContact C-N 3.31Å; E147-D149 PolarHBondContact O-N 2.89Å; D149-V151 HydrophobicContact CB-CG2 3.94Å; D149-V151 PolarHBondContact O-N 3.18Å; D149-V151 VanDerWaalsContact O-N 3.15Å
150H97.1Very high97.9Very high108 Ų10868.3 Ų68.350%0.535%0.345SS..THydrogen-bonded Turntrans53.633.3-179.9-62.9-93.3000114.3W146 E147 A148 A152 E153W146-H150 PolarHBondContact O-N 2.72Å; E147-H150 PolarHBondContact O-N 2.83Å; A148-H150 VanDerWaalsContact C-N 3.31Å; A148-H150 PolarHBondContact O-CD2 3.02Å; H150-A152 PolarHBondContact O-N 2.85Å; H150-A152 VanDerWaalsContact O-N 3.16Å; H150-E153 HydrophobicContact CB-CG 4.46Å; H150-E153 IonicContact CE1-OE1 2.74Å; H150-E153 IonicContact CG-OE1 3.18Å; H150-E153 IonicContact ND1-OE1 2.86Å; H150-E153 PolarHBondContact ND1-OE1 2.86Å; H150-E153 PolarHBondContact O-N 2.84Å
151V98.1Very high97.9Very high26 Ų2666.7 Ų66.716%0.15834%0.344CS..Hα-helixtrans-59.4-33.3-174.8175.90000112.1W132 W146 D149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.35Å; W132-V151 HydrophobicContact CZ2-CG1 4.11Å; W146-V151 HydrophobicContact CB-CB 3.99Å; W146-V151 HydrophobicContact CB-CG2 3.95Å; W146-V151 HydrophobicContact CD2-CG1 4.28Å; W146-V151 HydrophobicContact CG-CB 4.15Å; W146-V151 HydrophobicContact CG-CG1 4.37Å; W146-V151 HydrophobicContact CG-CG2 3.92Å; W146-V151 PolarHBondContact O-N 2.83Å; D149-V151 HydrophobicContact CB-CG2 3.94Å; D149-V151 PolarHBondContact O-N 3.18Å; D149-V151 VanDerWaalsContact O-N 3.15Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 2.85Å; V151-Q154 PolarHBondContact O-N 2.83Å; V151-L155 HydrophobicContact CG1-CD1 3.85Å; V151-L155 HydrophobicContact CG1-CG 4.23Å; V151-L155 WeakPolarHBondContact O-CG 3.19Å; V151-L155 PolarHBondContact O-N 2.74Å; V151-L155 VanDerWaalsContact O-N 3.12Å
152A98.3Very high97.9Very high8 Ų866.5 Ų66.57%0.06634%0.343CS..Hα-helixtrans-60.4-35.7178.700000112.6L125 W132 H150 L155 R156L125-A152 HydrophobicContact CD1-CB 4.06Å; W132-A152 HydrophobicContact CZ2-CB 4.22Å; H150-A152 PolarHBondContact O-N 2.85Å; H150-A152 VanDerWaalsContact O-N 3.16Å; A152-L155 PolarHBondContact O-N 3.49Å; A152-R156 VanDerWaalsContact O-CB 3.22Å; A152-R156 WeakPolarHBondContact O-CB 2.88Å; A152-R156 PolarHBondContact O-N 3.49Å
153E97.5Very high98Very high128 Ų12865.7 Ų65.760%0.59834%0.337SS*.Hα-helixtrans-66.8-42.4-179.3-64176.9-159.500111.6H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.46Å; H150-E153 IonicContact CE1-OE1 2.74Å; H150-E153 IonicContact CG-OE1 3.18Å; H150-E153 IonicContact ND1-OE1 2.86Å; H150-E153 PolarHBondContact ND1-OE1 2.86Å; H150-E153 PolarHBondContact O-N 2.84Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 2.85Å; E153-R156 PolarHBondContact O-N 3.02Å; E153-A157 PolarHBondContact O-N 2.94Å
154Q96.4Very high98Very high143 Ų14364 Ų6467%0.66833%0.331SS*.Hα-helixtrans-64.4-44.5176.2-63.2-179.2-4.700111.5V151 A157 Y158V151-Q154 PolarHBondContact O-N 2.83Å; Q154-A157 PolarHBondContact O-N 2.81Å; Q154-Y158 PolarHBondContact O-N 3.45Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å
155L97.9Very high97.9Very high23 Ų2364.3 Ų64.312%0.1233%0.332CS..Hα-helixtrans-65.2-41.6178.1-69.7173.7000111.5H113 L125 W132 V151 A152 A157 Y158 L159H113-L155 HydrophobicContact CB-CD1 4.32Å; L125-L155 HydrophobicContact CD2-CB 4.38Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.87Å; V151-L155 HydrophobicContact CG1-CD1 3.85Å; V151-L155 HydrophobicContact CG1-CG 4.23Å; V151-L155 WeakPolarHBondContact O-CG 3.19Å; V151-L155 PolarHBondContact O-N 2.74Å; V151-L155 VanDerWaalsContact O-N 3.12Å; A152-L155 PolarHBondContact O-N 3.49Å; L155-A157 PolarHBondContact O-N 2.71Å; L155-Y158 PolarHBondContact O-N 3.12Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 WeakPolarHBondContact O-CG 3.35Å; L155-L159 PolarHBondContact O-N 3.16Å
156R98.3Very high98Very high77 Ų7762.3 Ų62.329%0.29132%0.322SS..Hα-helixtrans-59.1-46.6175.9-177.6174.5-179.8-139.8-16.8111.6L129 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.11Å; L129-R156 HydrophobicContact CB-CG 3.92Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; A152-R156 VanDerWaalsContact O-CB 3.22Å; A152-R156 WeakPolarHBondContact O-CB 2.88Å; A152-R156 PolarHBondContact O-N 3.49Å; E153-R156 PolarHBondContact O-N 3.02Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.38Å; R156-L159 PolarHBondContact O-N 3.49Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.98Å; R156-E160 IonicContact CZ-OE2 3.59Å; R156-E160 IonicContact NE-OE1 3.81Å; R156-E160 PolarHBondContact NE-OE1 3.07Å; R156-E160 IonicContact NE-OE2 3.49Å; R156-E160 PolarHBondContact NE-OE2 2.98Å; R156-E160 IonicContact NH2-OE1 3Å; R156-E160 PolarHBondContact NH2-OE1 3.17Å; R156-E160 IonicContact NH2-OE2 3.42Å; R156-E160 PolarHBondContact NH2-OE2 3.02Å; R156-E160 WeakPolarHBondContact O-CB 3.46Å; R156-E160 PolarHBondContact O-N 3.15Å
157A98.2Very high98Very high68 Ų6860 Ų6056%0.56231%0.313SS*.Hα-helixtrans-58.9-42.1177.100000112.2E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 2.94Å; Q154-A157 PolarHBondContact O-N 2.81Å; L155-A157 PolarHBondContact O-N 2.71Å; A157-G161 PolarHBondContact O-N 3.13Å
158Y98.1Very high97.9Very high63 Ų6361.5 Ų61.525%0.24732%0.316CS..Iπ-helixtrans-65.4-47.1174.3170.6-95.4000112.4Y98 Q154 L155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.9Å; Y98-Y158 HydrophobicContact CD2-CE1 3.9Å; Y98-Y158 AromaticContact CE2-CE1 3.84Å; Y98-Y158 HydrophobicContact CE2-CE1 3.84Å; Q154-Y158 PolarHBondContact O-N 3.45Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å; L155-Y158 PolarHBondContact O-N 3.12Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.38Å; Y158-T162 HydrophobicContact CD2-CG2 4.08Å; Y158-T162 HydrophobicContact CE2-CG2 4.01Å; Y158-T162 PolarHBondContact O-N 3.15Å; Y158-C163 HydrophobicContact CD1-CB 4.31Å; Y158-C163 HydrophobicContact CE1-CB 3.85Å; Y158-C163 WeakPolarHBondContact O-CB 3.47Å; Y158-C163 PolarHBondContact O-N 3.37Å
159L98.6Very high97.8Very high2 Ų264 Ų641%0.0131%0.311CS..Iπ-helixtrans-70-42.3-173.2-70.9171.5000112.7G99 F108 L125 L129 L155 R156G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.37Å; F108-L159 HydrophobicContact CE2-CB 4.48Å; F108-L159 WeakPolarHBondContact CE2-O 3.42Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å; L129-L159 HydrophobicContact CD2-CD1 4.14Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 WeakPolarHBondContact O-CG 3.35Å; L155-L159 PolarHBondContact O-N 3.16Å; R156-L159 PolarHBondContact O-N 3.49Å
160E98.3Very high97.8Very high75 Ų7558.9 Ų58.935%0.3528%0.283SS..Iπ-helixtrans-78.3-26.1179.2-67.8-177.7175.300112.5F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.06Å; F108-E160 HydrophobicContact CE1-CG 3.91Å; F108-E160 HydrophobicContact CE2-CG 4.36Å; F108-E160 HydrophobicContact CG-CG 4.36Å; F108-E160 HydrophobicContact CZ-CG 4.06Å; L129-E160 HydrophobicContact CD1-CG 3.94Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.98Å; R156-E160 IonicContact CZ-OE2 3.59Å; R156-E160 IonicContact NE-OE1 3.81Å; R156-E160 PolarHBondContact NE-OE1 3.07Å; R156-E160 IonicContact NE-OE2 3.49Å; R156-E160 PolarHBondContact NE-OE2 2.98Å; R156-E160 IonicContact NH2-OE1 3Å; R156-E160 PolarHBondContact NH2-OE1 3.17Å; R156-E160 IonicContact NH2-OE2 3.42Å; R156-E160 PolarHBondContact NH2-OE2 3.02Å; R156-E160 WeakPolarHBondContact O-CB 3.46Å; R156-E160 PolarHBondContact O-N 3.15Å
161G97.9Very high97.8Very high24 Ų2453.8 Ų53.825%0.24726%0.259CS..Iπ-helixtrans-108-91.5-177.200000112.9A157 C163 V164 E165A157-G161 PolarHBondContact O-N 3.13Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 3.14Å; G161-C163 VanDerWaalsContact O-N 3.17Å; G161-V164 WeakPolarHBondContact O-CB 3.44Å; G161-V164 PolarHBondContact O-N 2.94Å; G161-E165 PolarHBondContact O-N 2.89Å
162T97.8Very high97.7Very high56 Ų5658.5 Ų58.534%0.34428%0.28SS..Iπ-helixtrans-54.1-40.3-170-56.70000113.7Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.08Å; Y158-T162 HydrophobicContact CE2-CG2 4.01Å; Y158-T162 PolarHBondContact O-N 3.15Å; T162-V164 PolarHBondContact O-N 2.94Å; T162-E165 PolarHBondContact O-N 3.3Å; T162-W166 VanDerWaalsContact CG2-CD1 3.47Å; T162-W166 PolarHBondContact O-N 3.17Å
163C98.4Very high97.6Very high0 Ų060.3 Ų60.30%029%0.288CS..Hα-helixtrans-60.6-45.6177.5-175.10000111.7M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.26Å; M4-C163 WeakPolarHBondContact CE-O 3.42Å; M4-C163 WeakPolarHBondContact CE-SG 3.29Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.08Å; C100-C163 PolarHBondContact N-SG 2.97Å; C100-C163 VanDerWaalsContact N-SG 3.39Å; C100-C163 WeakPolarHBondContact SG-CB 3.17Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.04Å; Y158-C163 HydrophobicContact CD1-CB 4.31Å; Y158-C163 HydrophobicContact CE1-CB 3.85Å; Y158-C163 WeakPolarHBondContact O-CB 3.47Å; Y158-C163 PolarHBondContact O-N 3.37Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 3.14Å; G161-C163 VanDerWaalsContact O-N 3.17Å; C163-W166 PolarHBondContact O-N 3.2Å; C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 PolarHBondContact O-N 3.22Å
164V98.4Very high97.5Very high8 Ų854.3 Ų54.35%0.04826%0.261CS..Hα-helixtrans-66.2-41178.7173.30000111V102 F108 G161 T162 L167 R168V102-V164 HydrophobicContact CG1-CB 4.36Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 3.98Å; F108-V164 HydrophobicContact CB-CG2 4.1Å; F108-V164 HydrophobicContact CD2-CG2 3.76Å; F108-V164 HydrophobicContact CG-CG2 4.42Å; G161-V164 WeakPolarHBondContact O-CB 3.44Å; G161-V164 PolarHBondContact O-N 2.94Å; T162-V164 PolarHBondContact O-N 2.94Å; V164-L167 PolarHBondContact O-N 3.45Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.49Å; V164-R168 PolarHBondContact O-N 3.28Å
165E97.9Very high97.4Very high126 Ų12652.8 Ų52.859%0.58925%0.252SS*.Hα-helixtrans-61.1-47176.7-69.5174170.500111.9G161 T162 R168 R169G161-E165 PolarHBondContact O-N 2.89Å; T162-E165 PolarHBondContact O-N 3.3Å; E165-R168 PolarHBondContact O-N 3.32Å; E165-R169 PolarHBondContact O-N 2.81Å
166W97.9Very high97.2Very high66 Ų6660.2 Ų60.225%0.2529%0.286CS..Hα-helixtrans-64.6-44.2176.3-81.3112000112.3M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 3.99Å; M4-W166 HydrophobicContact SD-CB 4.34Å; Y58-W166 AromaticContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CZ2 4.35Å; Y58-W166 AromaticContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CE2-CE3 4.25Å; Y58-W166 AromaticContact CE2-CH2 3.8Å; Y58-W166 HydrophobicContact CE2-CH2 3.8Å; Y58-W166 HydrophobicContact CE2-CZ2 4.47Å; Y58-W166 AromaticContact CE2-CZ3 3.65Å; Y58-W166 HydrophobicContact CE2-CZ3 3.65Å; T162-W166 VanDerWaalsContact CG2-CD1 3.47Å; T162-W166 PolarHBondContact O-N 3.17Å; C163-W166 PolarHBondContact O-N 3.2Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 2.93Å; W166-R169 PolarHBondContact O-N 3.18Å; W166-R169 VanDerWaalsContact O-N 3.17Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CE3-CD1 4.41Å; W166-Y170 AromaticContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE1 3.49Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE2 4.41Å; W166-Y170 AromaticContact CE3-CZ 3.48Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.48Å; W166-Y170 VanDerWaalsContact CE3-OH 3.28Å; W166-Y170 AromaticContact CZ3-CE1 3.93Å; W166-Y170 HydrophobicContact CZ3-CE1 3.93Å; W166-Y170 WeakPolarHBondContact O-CD2 3.4Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 2.92Å
167L98.3Very high96.9Very high0 Ų058.8 Ų58.80%029%0.286CS..Hα-helixtrans-58.4-44.2177.3176.851.8000111.3H2 M4 V27 V102 C163 V164 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.48Å; M4-L167 HydrophobicContact CB-CB 4.13Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.19Å; M4-L167 HydrophobicContact CB-CG 4.32Å; V27-L167 HydrophobicContact CG1-CD1 3.63Å; V27-L167 HydrophobicContact CG2-CD1 4.24Å; V102-L167 HydrophobicContact CB-CD2 4.41Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.68Å; V102-L167 HydrophobicContact CG2-CG 4.3Å; C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 PolarHBondContact O-N 3.22Å; V164-L167 PolarHBondContact O-N 3.45Å; L167-Y170 PolarHBondContact O-N 2.88Å; L167-L171 HydrophobicContact CD1-CD1 3.5Å; L167-L171 HydrophobicContact CD1-CG 3.95Å; L167-L171 HydrophobicContact CG-CD1 3.82Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 WeakPolarHBondContact O-CG 3.47Å; L167-L171 PolarHBondContact O-N 2.98Å
168R96.8Very high96.7Very high111 Ų11155.7 Ų55.742%0.41926%0.26SS..Hα-helixtrans-61-45.4175.1-72.6174.2-175.9179.51.8112W106 V164 E165 W166 Y170 L171 E172W106-R168 HydrophobicContact CE3-CG 4.13Å; W106-R168 PolarHBondContact O-NE 3.28Å; W106-R168 PolarHBondContact O-NH2 2.95Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.49Å; V164-R168 PolarHBondContact O-N 3.28Å; E165-R168 PolarHBondContact O-N 3.32Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 2.93Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 3.47Å; R168-L171 PolarHBondContact O-N 3.47Å; R168-E172 PolarHBondContact O-N 3.19Å
169R96.8Very high96.5Very high123 Ų12356.1 Ų56.146%0.46426%0.264SS..Hα-helixtrans-59.4-45.7176.7180179.3174.4107.8-5.3111.4E54 E165 W166 L171 E172 N173E54-R169 IonicContact OE1-CZ 3.48Å; E54-R169 IonicContact OE1-NE 3.17Å; E54-R169 PolarHBondContact OE1-NE 3.17Å; E54-R169 IonicContact OE1-NH2 3.44Å; E54-R169 PolarHBondContact OE1-NH2 2.88Å; E54-R169 IonicContact OE2-CZ 3.96Å; E54-R169 IonicContact OE2-NE 3.91Å; E54-R169 IonicContact OE2-NH2 2.71Å; E54-R169 PolarHBondContact OE2-NH2 3.18Å; E165-R169 PolarHBondContact O-N 2.81Å; W166-R169 PolarHBondContact O-N 3.18Å; W166-R169 VanDerWaalsContact O-N 3.17Å; R169-L171 PolarHBondContact O-N 2.85Å; R169-E172 PolarHBondContact O-N 3.35Å; R169-N173 WeakPolarHBondContact O-CB 3.31Å; R169-N173 PolarHBondContact O-N 3.23Å; R169-N173 PolarHBondContact O-OD1 3.06Å
170Y97.6Very high96.3Very high1 Ų159.8 Ų59.80%0.00428%0.278CS..Hα-helixtrans-66.2-37.2179.2-61.4-26.1000112.6M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.51Å; M4-Y170 VanDerWaalsContact SD-CE2 3.51Å; V27-Y170 HydrophobicContact CG2-CD2 3.98Å; F32-Y170 HydrophobicContact CE2-CD2 4.26Å; F32-Y170 AromaticContact CE2-CE2 3.68Å; F32-Y170 HydrophobicContact CE2-CE2 3.68Å; F32-Y170 AromaticContact CE2-CZ 3.99Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.79Å; F32-Y170 HydrophobicContact CZ-CE2 3.79Å; W50-Y170 HydrophobicContact CH2-CG 4.33Å; W50-Y170 AromaticContact CZ3-CD1 3.97Å; W50-Y170 HydrophobicContact CZ3-CD1 3.97Å; W50-Y170 AromaticContact CZ3-CG 3.82Å; W50-Y170 HydrophobicContact CZ3-CG 3.82Å; I51-Y170 HydrophobicContact CD1-CD1 3.73Å; I51-Y170 HydrophobicContact CD1-CE1 3.37Å; Y58-Y170 HydrophobicContact CE2-CE1 4.38Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.33Å; Y58-Y170 PolarHBondContact OH-OH 2.9Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CE3-CD1 4.41Å; W166-Y170 AromaticContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE1 3.49Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE2 4.41Å; W166-Y170 AromaticContact CE3-CZ 3.48Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.48Å; W166-Y170 VanDerWaalsContact CE3-OH 3.28Å; W166-Y170 AromaticContact CZ3-CE1 3.93Å; W166-Y170 HydrophobicContact CZ3-CE1 3.93Å; W166-Y170 WeakPolarHBondContact O-CD2 3.4Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 2.92Å; L167-Y170 PolarHBondContact O-N 2.88Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 3.47Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-N173 PolarHBondContact O-N 3.1Å; Y170-G174 PolarHBondContact O-N 3.03Å; Y170-L178 WeakPolarHBondContact O-CD1 3.49Å
171L96.3Very high96.2Very high1 Ų159.4 Ų59.41%0.00528%0.281CS..Hα-helixtrans-70-29.5176.5-74.5165.1000113.2H2 V27 W106 L167 R168 R169 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.46Å; H2-L171 VanDerWaalsContact CB-CD1 3.46Å; H2-L171 HydrophobicContact CB-CD2 4.36Å; V27-L171 HydrophobicContact CG1-CD2 3.91Å; V27-L171 HydrophobicContact CG1-CG 4.19Å; W106-L171 HydrophobicContact CH2-CB 4.21Å; W106-L171 HydrophobicContact CH2-CD1 4.03Å; W106-L171 HydrophobicContact CZ3-CB 4.21Å; W106-L171 HydrophobicContact CZ3-CD1 3.45Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.45Å; W106-L171 HydrophobicContact CZ3-CG 4.43Å; L167-L171 HydrophobicContact CD1-CD1 3.5Å; L167-L171 HydrophobicContact CD1-CG 3.95Å; L167-L171 HydrophobicContact CG-CD1 3.82Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 WeakPolarHBondContact O-CG 3.47Å; L167-L171 PolarHBondContact O-N 2.98Å; R168-L171 PolarHBondContact O-N 3.47Å; R169-L171 PolarHBondContact O-N 2.85Å; L171-K175 WeakPolarHBondContact O-CA 3.4Å; L171-K175 WeakPolarHBondContact O-CB 3.43Å; L171-K175 PolarHBondContact O-N 2.9Å; L171-K175 VanDerWaalsContact O-N 3.15Å; L171-L178 HydrophobicContact CD2-CB 3.75Å; L171-L178 HydrophobicContact CD2-CD1 3.97Å; L171-L178 HydrophobicContact CD2-CG 4.48Å; L171-Q179 HydrophobicContact CD2-CG 4.36Å; L171-Q179 PolarHBondContact O-NE2 2.87Å
172E95.8Very high96.1Very high126 Ų12660.8 Ų60.859%0.58928%0.282SS*.Hα-helixtrans-72-49170.4-170.361.2-149.300110.7R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.19Å; R169-E172 PolarHBondContact O-N 3.35Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; E172-G174 VanDerWaalsContact C-N 3.33Å; E172-G174 PolarHBondContact O-N 2.89Å; E172-K175 WeakPolarHBondContact O-CB 3.47Å; E172-K175 PolarHBondContact O-N 3.26Å
173N96.4Very high96.1Very high46 Ų4660.3 Ų60.325%0.24628%0.284CS..Hα-helixtrans-58.6-43.3178.6-70.7-1.8000112.5Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 3.49Å; Q53-N173 PolarHBondContact NE2-OD1 3.26Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.13Å; E54-N173 PolarHBondContact OE1-ND2 3.44Å; E54-N173 VanDerWaalsContact OE1-ND2 3.11Å; R169-N173 WeakPolarHBondContact O-CB 3.31Å; R169-N173 PolarHBondContact O-N 3.23Å; R169-N173 PolarHBondContact O-OD1 3.06Å; Y170-N173 PolarHBondContact O-N 3.1Å
174G96Very high96.1Very high2 Ų260.8 Ų60.82%0.02129%0.287CS..THydrogen-bonded Turntrans-10119.2-176.100000113.9W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CG-CA 3.49Å; Y170-G174 PolarHBondContact O-N 3.03Å; E172-G174 VanDerWaalsContact C-N 3.33Å; E172-G174 PolarHBondContact O-N 2.89Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 2.96Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 3.42Å; G174-L178 WeakPolarHBondContact O-CB 3.42Å; G174-L178 PolarHBondContact O-N 3.06Å
175K94.6Very high96.1Very high110 Ų11067.2 Ų67.248%0.47831%0.314SS..Hα-helixtrans-48.6-45.8-171.1-177.1174.7-176.9174.70114L171 E172 T177 Q179L171-K175 WeakPolarHBondContact O-CA 3.4Å; L171-K175 WeakPolarHBondContact O-CB 3.43Å; L171-K175 PolarHBondContact O-N 2.9Å; L171-K175 VanDerWaalsContact O-N 3.15Å; E172-K175 WeakPolarHBondContact O-CB 3.47Å; E172-K175 PolarHBondContact O-N 3.26Å; K175-T177 PolarHBondContact O-N 3.23Å; K175-Q179 WeakPolarHBondContact O-CB 3.36Å; K175-Q179 PolarHBondContact O-N 3.1Å; K175-Q179 VanDerWaalsContact O-N 3.15Å
176E92.9Very high96.1Very high180 Ų18063 Ų6384%0.84130%0.297SS*.Hα-helixtrans-65.6-24.9-179.3-62.8-175.2167.700113.7G174G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 2.96Å; G174-E176 VanDerWaalsContact O-N 3.15Å
177T92.8Very high95.9Very high46 Ų4663.5 Ų63.528%0.28230%0.302SS..Hα-helixtrans-101.8-42.7-178.5-54.10000112.4G174 K175 R180G174-T177 PolarHBondContact O-N 3.42Å; K175-T177 PolarHBondContact O-N 3.23Å; T177-R180 VanDerWaalsContact O-CG 3.31Å; T177-R180 WeakPolarHBondContact O-CG 3.17Å
178L93.8Very high95.8Very high4 Ų465.1 Ų65.12%0.02131%0.31CS..Hα-helixtrans-84.7-28.1-172-63.2171.6000112.9V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.28Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å; T30-L178 HydrophobicContact CG2-CD2 4.03Å; W50-L178 HydrophobicContact CD2-CD1 4.38Å; W50-L178 HydrophobicContact CH2-CD1 4.23Å; W50-L178 HydrophobicContact CZ2-CD1 3.78Å; W50-L178 HydrophobicContact CZ2-CD2 4.02Å; W50-L178 HydrophobicContact CZ2-CG 4.29Å; Y170-L178 WeakPolarHBondContact O-CD1 3.49Å; L171-L178 HydrophobicContact CD2-CB 3.75Å; L171-L178 HydrophobicContact CD2-CD1 3.97Å; L171-L178 HydrophobicContact CD2-CG 4.48Å; G174-L178 WeakPolarHBondContact O-CB 3.42Å; G174-L178 PolarHBondContact O-N 3.06Å
179Q92.7Very high95.7Very high71 Ų7161.4 Ų61.433%0.33230%0.3SS..SBendtrans-10513.1179.5-54.7-17936.300112.3L171 K175L171-Q179 HydrophobicContact CD2-CG 4.36Å; L171-Q179 PolarHBondContact O-NE2 2.87Å; K175-Q179 WeakPolarHBondContact O-CB 3.36Å; K175-Q179 PolarHBondContact O-N 3.1Å; K175-Q179 VanDerWaalsContact O-N 3.15Å
180R94.5Very high95.6Very high79 Ų7958.7 Ų58.730%0.29829%0.293SS..  trans-78.3155.4171.880.1-171.9173.2-178.73.5110.2T177 D182 Y208T177-R180 VanDerWaalsContact O-CG 3.31Å; T177-R180 WeakPolarHBondContact O-CG 3.17Å; R180-D182 IonicContact CZ-OD2 2.95Å; R180-D182 IonicContact NE-OD2 2.72Å; R180-D182 PolarHBondContact NE-OD2 3.27Å; R180-Y208 HydrophobicContact CG-CD1 3.87Å; R180-Y208 HydrophobicContact CG-CE1 4.32Å; R180-Y208 WeakPolarHBondContact O-CD1 3.33Å
181T95.4Very high95.3Very high68 Ų6862.7 Ų62.742%0.41731%0.311SS..  trans-130.4115.7169.647.80000108.9Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.03Å; T181-E263 HydrophobicContact CG2-CG 4.1Å
182D96.7Very high95.1Very high52 Ų5266.4 Ų66.428%0.27834%0.342SS..BIsolated β-bridgetrans-103.8114.9-179.9-63.4-36.8000108.3R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 2.95Å; R180-D182 IonicContact NE-OD2 2.72Å; R180-D182 PolarHBondContact NE-OD2 3.27Å; D182-F207 VanDerWaalsContact O-CA 3.3Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 WeakPolarHBondContact O-CB 3.43Å; D182-Y208 PolarHBondContact N-O 3.21Å; D182-Y208 PolarHBondContact O-N 2.97Å; D182-H262 PolarHBondContact O-CE1 3.04Å
183A97.9Very high94.7Very high47 Ų4764.8 Ų64.839%0.38834%0.341SS..  trans-65.6140.4-18000000111.6K185 G264 L265A183-K185 PolarHBondContact O-N 2.7Å; A183-G264 WeakPolarHBondContact CB-O 3.29Å; A183-L265 HydrophobicContact CB-CD2 3.98Å
184P98.3Very high94.4Very high9 Ų965.1 Ų65.16%0.05835%0.346CS..  trans-64.5131179.126.7-34.6000112.1T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.27Å; P184-T186 PolarHBondContact O-N 3.22Å; P184-A204 HydrophobicContact CB-CB 3.89Å; P184-F207 HydrophobicContact CB-CB 3.83Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.16Å; P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; P184-V260 HydrophobicContact CG-CG1 3.99Å; P184-H262 HydrophobicContact CG-CB 4.15Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.44Å; P184-L265 HydrophobicContact CG-CG 4.2Å
185K98Very high94Very high143 Ų14372.3 Ų72.362%0.62238%0.384SS*.EExtended strand (participates in β ladder)trans-76108.4164.4-65.2177-174168.50107.8A183 L205A183-K185 PolarHBondContact O-N 2.7Å; K185-L205 HydrophobicContact CB-CB 4.49Å; K185-L205 PolarHBondContact N-O 3.34Å; K185-L205 PolarHBondContact O-N 2.89Å
186T97.4Very high93.9Very high38 Ų3873.9 Ų73.923%0.23339%0.393CS..EExtended strand (participates in β ladder)trans-104.9144.3-175.257.30000112.1P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.27Å; P184-T186 PolarHBondContact O-N 3.22Å; T186-W203 WeakPolarHBondContact CA-O 3.1Å; T186-W203 WeakPolarHBondContact CB-O 3.44Å; T186-A204 HydrophobicContact CG2-CB 4.39Å; T186-V260 HydrophobicContact CG2-CG1 4.32Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; T186-L269 HydrophobicContact CG2-CD1 4.42Å; T186-L271 HydrophobicContact CG2-CD1 4.06Å
187H94.9Very high93.9Very high76 Ų7669.7 Ų69.735%0.35237%0.374SS..EExtended strand (participates in β ladder)trans-155.6164.8170.868.4-78.4000110.1W203H187-W203 AromaticContact CD2-CD1 3.87Å; H187-W203 WeakPolarHBondContact CE1-CB 3.17Å; H187-W203 AromaticContact CE1-CD1 3.77Å; H187-W203 AromaticContact CE1-CG 3.47Å; H187-W203 VanDerWaalsContact CE1-CG 3.47Å; H187-W203 PolarHBondContact N-O 3.11Å; H187-W203 AromaticContact NE2-CD1 3.37Å; H187-W203 AromaticContact NE2-CG 3.56Å; H187-W203 AromaticContact NE2-NE1 3.92Å; H187-W203 PolarHBondContact O-N 2.64Å
188M95.4Very high94Very high34 Ų3467.6 Ų67.617%0.16736%0.361CS..EExtended strand (participates in β ladder)trans-114.4140.9175-77.5-167.8165.700111.3R201 C202 W216 C258 L271 W273M188-R201 WeakPolarHBondContact CA-O 3.15Å; M188-C202 HydrophobicContact CE-CB 4.48Å; M188-W216 HydrophobicContact CE-CH2 3.2Å; M188-W216 HydrophobicContact CE-CZ2 4Å; M188-W216 HydrophobicContact CE-CZ3 3.62Å; M188-W216 HydrophobicContact SD-CH2 4.11Å; M188-C258 HydrophobicContact CE-CB 3.4Å; M188-L271 HydrophobicContact CE-CB 3.76Å; M188-L271 VanDerWaalsContact CE-O 3.26Å; M188-L271 WeakPolarHBondContact CE-O 3.3Å; M188-L271 HydrophobicContact SD-CB 4.46Å; M188-W273 WeakPolarHBondContact SD-CA 3.33Å; M188-W273 HydrophobicContact SD-CB 3.83Å; M188-W273 PolarHBondContact SD-N 2.98Å
189T94.7Very high94.1Very high34 Ų3468.5 Ų68.521%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-116.8141.2169.951.60000109.4R201 W203T189-R201 PolarHBondContact N-O 2.99Å; T189-R201 PolarHBondContact O-N 2.81Å; T189-R201 WeakPolarHBondContact OG1-CB 3.24Å; T189-R201 PolarHBondContact OG1-O 3.13Å; T189-W203 PolarHBondContact OG1-NE1 3.44Å
190H94.3Very high94.3Very high66 Ų6665.1 Ų65.131%0.30635%0.35SS..EExtended strand (participates in β ladder)trans-118.4127.9177.1165.7-76.9000109A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.24Å; H190-T199 WeakPolarHBondContact CA-O 3.43Å; H190-L200 HydrophobicContact CB-CD2 3.99Å; H190-W273 HydrophobicContact CB-CZ2 4.17Å; H190-W273 AromaticContact CD2-CZ2 3.96Å; H190-W273 AromaticContact CG-CE2 3.98Å; H190-W273 AromaticContact CG-CZ2 3.97Å; H190-W273 AromaticContact CG-NE1 3.98Å
191H92.9Very high94.5Very high85 Ų8563.8 Ų63.839%0.39435%0.346SS..EExtended strand (participates in β ladder)trans-126.4112.8178.3-59.2-74.5000109.1V193 A198 T199 R201H191-V193 PolarHBondContact O-N 2.89Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 VanDerWaalsContact O-CA 3.31Å; H191-A198 WeakPolarHBondContact O-CA 3.36Å; H191-T199 PolarHBondContact N-O 2.9Å; H191-T199 PolarHBondContact O-N 3.04Å; H191-R201 PolarHBondContact CD2-NH1 3.12Å; H191-R201 VanDerWaalsContact CD2-NH1 3.34Å; H191-R201 PolarHBondContact NE2-NH1 3.29Å
192A91.2Very high94.6Very high78 Ų7860.6 Ų60.665%0.64533%0.326SS*.EExtended strand (participates in β ladder)trans-65.4127.5172.600000109.4
193V88.4Confident94.6Very high93 Ų9360.3 Ų60.356%0.56432%0.321SS*.  trans-98.9-40.9177-179.60000109.6H191 E197 T199H191-V193 PolarHBondContact O-N 2.89Å; V193-E197 PolarHBondContact N-O 3.43Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.22Å
194S90.1Very high94.7Very high53 Ų5358.1 Ų58.137%0.37130%0.302SS..SBendtrans-149.2-178.1174.671.10000110.4H196 E197S194-H196 PolarHBondContact O-N 3.38Å; S194-H196 PolarHBondContact OG-N 3.39Å; S194-E197 PolarHBondContact N-O 2.86Å; S194-E197 VanDerWaalsContact O-O 3.07Å; S194-E197 PolarHBondContact OG-N 3.17Å
195D87.6Confident94.7Very high152 Ų15260 Ų6081%0.81331%0.312SS*.SBendtrans-66.5-9.8172.5-65-22.3000113.3
196H91.8Very high94.6Very high144 Ų14455.1 Ų55.167%0.66730%0.296SS*.SBendtrans-116.4-14.6-176.1-56.9-41.8000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 3.38Å; S194-H196 PolarHBondContact OG-N 3.39Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.25Å; H196-S250 PolarHBondContact O-N 2.94Å; H196-S250 PolarHBondContact O-OG 3.02Å
197E94Very high94.7Very high92 Ų9253.3 Ų53.343%0.4329%0.285SS..EExtended strand (participates in β ladder)trans-143.8144-171.7-66.6-179.9174.600112.3V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.43Å; S194-E197 PolarHBondContact N-O 2.86Å; S194-E197 VanDerWaalsContact O-O 3.07Å; S194-E197 PolarHBondContact OG-N 3.17Å; E197-V247 HydrophobicContact CB-CG1 4.15Å; E197-V247 HydrophobicContact CG-CG1 4.35Å; E197-V248 WeakPolarHBondContact CA-O 3.02Å; E197-S250 PolarHBondContact N-OG 3.31Å
198A94.3Very high94.8Very high1 Ų149.8 Ų49.81%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-132.3153.6171.100000110.6H190 H191 V248H190-A198 WeakPolarHBondContact NE2-CB 3.24Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 VanDerWaalsContact O-CA 3.31Å; H191-A198 WeakPolarHBondContact O-CA 3.36Å; A198-V248 HydrophobicContact CB-CG2 4.37Å; A198-V248 PolarHBondContact N-O 2.92Å; A198-V248 WeakPolarHBondContact O-CG2 3.33Å; A198-V248 PolarHBondContact O-N 2.9Å
199T96.1Very high94.8Very high23 Ų2349.2 Ų49.214%0.14127%0.267CS..EExtended strand (participates in β ladder)trans-95.7121.1168-550000109H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.43Å; H191-T199 PolarHBondContact N-O 2.9Å; H191-T199 PolarHBondContact O-N 3.04Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.22Å; T199-A245 HydrophobicContact CG2-CB 3.9Å; T199-V246 WeakPolarHBondContact CA-O 3.34Å
200L96.8Very high94.9Very high0 Ų048.2 Ų48.20%026%0.263CS..EExtended strand (participates in β ladder)trans-93.2128.7164.6-64.3-177.7000108.7H190 W216 A245 V246 V248 E253 W273H190-L200 HydrophobicContact CB-CD2 3.99Å; L200-W216 HydrophobicContact CB-CH2 3.59Å; L200-W216 HydrophobicContact CB-CZ2 3.91Å; L200-W216 HydrophobicContact CB-CZ3 4.44Å; L200-W216 HydrophobicContact CD1-CH2 4.07Å; L200-W216 HydrophobicContact CD1-CZ3 4.27Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.32Å; L200-V246 HydrophobicContact CB-CG1 4.32Å; L200-V246 PolarHBondContact N-O 3.44Å; L200-V246 PolarHBondContact O-N 3.45Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.2Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; L200-E253 HydrophobicContact CD1-CB 4.05Å; L200-E253 HydrophobicContact CD1-CG 4.41Å; L200-E253 HydrophobicContact CD2-CG 4.29Å; L200-W273 HydrophobicContact CD1-CB 4.23Å; L200-W273 HydrophobicContact CD2-CB 3.93Å; L200-W273 HydrophobicContact CD2-CD2 4.32Å; L200-W273 HydrophobicContact CD2-CG 3.79Å
201R97.4Very high95Very high52 Ų5252 Ų5220%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-123.6124175.4-179.8-174.7-59.2115.3-0.1110.3M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.15Å; T189-R201 PolarHBondContact N-O 2.99Å; T189-R201 PolarHBondContact O-N 2.81Å; T189-R201 WeakPolarHBondContact OG1-CB 3.24Å; T189-R201 PolarHBondContact OG1-O 3.13Å; H191-R201 PolarHBondContact CD2-NH1 3.12Å; H191-R201 VanDerWaalsContact CD2-NH1 3.34Å; H191-R201 PolarHBondContact NE2-NH1 3.29Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; R201-W243 HydrophobicContact CG-CB 4.02Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.85Å; R201-W243 HydrophobicContact CG-CG 4.25Å; R201-A244 WeakPolarHBondContact CA-O 3.41Å; R201-A245 HydrophobicContact CB-CB 3.92Å; R201-A245 HydrophobicContact CG-CB 4.08Å
202C97.8Very high95.2Very high0 Ų048.5 Ų48.50%026%0.264CS..EExtended strand (participates in β ladder)trans-96.4122.4177-1770000109.2M188 W216 W243 A244 C258M188-C202 HydrophobicContact CE-CB 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.72Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.43Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.48Å; C202-A244 PolarHBondContact N-O 3.32Å; C202-A244 PolarHBondContact O-N 2.92Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.45Å; C202-C258 WeakPolarHBondContact SG-CB 3.34Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.7Å
203W98.2Very high95.6Very high47 Ų4747.6 Ų47.618%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-106.3141.4-179.2-67.488000110.7T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.1Å; T186-W203 WeakPolarHBondContact CB-O 3.44Å; H187-W203 AromaticContact CD2-CD1 3.87Å; H187-W203 WeakPolarHBondContact CE1-CB 3.17Å; H187-W203 AromaticContact CE1-CD1 3.77Å; H187-W203 AromaticContact CE1-CG 3.47Å; H187-W203 VanDerWaalsContact CE1-CG 3.47Å; H187-W203 PolarHBondContact N-O 3.11Å; H187-W203 AromaticContact NE2-CD1 3.37Å; H187-W203 AromaticContact NE2-CG 3.56Å; H187-W203 AromaticContact NE2-NE1 3.92Å; H187-W203 PolarHBondContact O-N 2.64Å; T189-W203 PolarHBondContact OG1-NE1 3.44Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; W203-L205 HydrophobicContact CE3-CD2 4.01Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.82Å; W203-W243 AromaticContact CE3-CD1 3.81Å; W203-W243 HydrophobicContact CE3-CG 4.11Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.69Å; W203-W243 HydrophobicContact CH2-CG 4.27Å; W203-W243 HydrophobicContact CZ3-CB 4.26Å; W203-W243 AromaticContact CZ3-CD1 3.36Å; W203-W243 HydrophobicContact CZ3-CG 4.03Å
204A98.4Very high96Very high0 Ų043.4 Ų43.40%023%0.225CC..EExtended strand (participates in β ladder)trans-124.1121.2163.500000107.8P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.89Å; T186-A204 HydrophobicContact CG2-CB 4.39Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.34Å; A204-I212 HydrophobicContact CB-CD1 3.69Å; A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.28Å; A204-Q241 CarbonylContact O-C 3.49Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.44Å; A204-K242 PolarHBondContact N-O 3.22Å; A204-K242 PolarHBondContact O-N 3.36Å; A204-K242 VanDerWaalsContact O-O 3.09Å
205L98.2Very high96.3Very high48 Ų4842.9 Ų42.925%0.25122%0.22SC..EExtended strand (participates in β ladder)trans-127.5155.6-175.8-58.7179.4000111.2K185 W203 F207 Q241K185-L205 HydrophobicContact CB-CB 4.49Å; K185-L205 PolarHBondContact N-O 3.34Å; K185-L205 PolarHBondContact O-N 2.89Å; W203-L205 HydrophobicContact CE3-CD2 4.01Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 3.43Å; L205-Q241 HydrophobicContact CD2-CB 3.55Å
206S97.6Very high96.8Very high41 Ų4135.8 Ų35.829%0.28718%0.182SC..EExtended strand (participates in β ladder)trans54.242.9171.3-55.40000113.9F240S206-F240 PolarHBondContact N-O 2.76Å
207F97.9Very high97.1Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-108.4158.3176.761.2-90000112.4D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.3Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 WeakPolarHBondContact O-CB 3.43Å; P184-F207 HydrophobicContact CB-CB 3.83Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.16Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.34Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 3.43Å; F207-P209 VanDerWaalsContact CD2-O 3.27Å; F207-P209 WeakPolarHBondContact CD2-O 3.36Å; F207-I212 HydrophobicContact CD1-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CB 4.31Å; F207-I212 HydrophobicContact CD2-CD1 4.01Å; F207-I212 HydrophobicContact CE1-CD1 3.84Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 4.05Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.49Å; F207-I212 VanDerWaalsContact CZ-CG2 3.49Å; F207-T232 HydrophobicContact CE2-CG2 4.11Å; F207-T232 HydrophobicContact CZ-CG2 3.86Å; F207-T239 WeakPolarHBondContact O-CA 3.22Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.47Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.2Å; F207-F240 WeakPolarHBondContact CE1-O 3.22Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 3.28Å; F207-F240 PolarHBondContact O-N 3.06Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.16Å; F207-H262 AromaticContact CD2-CD2 3.79Å; F207-H262 AromaticContact CD2-NE2 3.58Å
208Y96.8Very high97.2Very high3 Ų330.4 Ų30.41%0.01215%0.153CC..BIsolated β-bridgetrans-152.3135.8173.9-178.6-85.3000109.1T30 R180 T181 D182 G238 F240 H262T30-Y208 PolarHBondContact OG1-OH 2.62Å; T30-Y208 VanDerWaalsContact OG1-OH 3.13Å; R180-Y208 HydrophobicContact CG-CD1 3.87Å; R180-Y208 HydrophobicContact CG-CE1 4.32Å; R180-Y208 WeakPolarHBondContact O-CD1 3.33Å; T181-Y208 WeakPolarHBondContact CA-O 3.03Å; D182-Y208 PolarHBondContact N-O 3.21Å; D182-Y208 PolarHBondContact O-N 2.97Å; Y208-G238 WeakPolarHBondContact CD2-O 3.45Å; Y208-F240 HydrophobicContact CD2-CD2 4.35Å; Y208-F240 AromaticContact CD2-CE2 3.87Å; Y208-F240 HydrophobicContact CD2-CE2 3.87Å; Y208-F240 HydrophobicContact CE2-CE2 4.27Å; Y208-H262 PolarHBondContact O-CE1 2.75Å
209P96.1Very high97.2Very high21 Ų2135.1 Ų35.114%0.13618%0.178CC..SBendcis-74.8-175.5532.2-37.5000114.2F207 E211 H262F207-P209 VanDerWaalsContact CD2-O 3.27Å; F207-P209 WeakPolarHBondContact CD2-O 3.36Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 2.91Å; P209-H262 PolarHBondContact O-NE2 2.82Å
210A97Very high97Very high14 Ų1436.3 Ų36.312%0.11620%0.196CC..SBendtrans-71.8-23.9-17700000113.8D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.12Å; D29-A210 VanDerWaalsContact CG-CB 3.47Å; D29-A210 VanDerWaalsContact OD2-CB 3.32Å; D29-A210 WeakPolarHBondContact OD2-CB 3.32Å; D29-A210 PolarHBondContact OD2-N 3.49Å; A210-I212 PolarHBondContact O-N 2.82Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-T232 WeakPolarHBondContact O-CG2 3.49Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.71Å
211E96.8Very high96.9Very high146 Ų14642.6 Ų42.668%0.68223%0.225SC*.  trans-67.1113.5-178.8-171.361.4-153.400110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 2.91Å; E211-H262 PolarHBondContact O-CD2 3.32Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å
212I97.8Very high96.8Very high11 Ų1144.9 Ų44.96%0.05624%0.241CC..  trans-150143.1-179.4-164.5171000109.8P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; A204-I212 HydrophobicContact CB-CD1 3.69Å; F207-I212 HydrophobicContact CD1-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CB 4.31Å; F207-I212 HydrophobicContact CD2-CD1 4.01Å; F207-I212 HydrophobicContact CE1-CD1 3.84Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 4.05Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.49Å; F207-I212 VanDerWaalsContact CZ-CG2 3.49Å; A210-I212 PolarHBondContact O-N 2.82Å; I212-L214 HydrophobicContact CD1-CD1 3.71Å; I212-L214 HydrophobicContact CG1-CD1 3.67Å; I212-L214 HydrophobicContact CG2-CD1 4.16Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; I212-Q261 VanDerWaalsContact CG1-O 3.32Å; I212-Q261 WeakPolarHBondContact CG1-O 3.2Å; I212-H262 HydrophobicContact CD1-CB 4.29Å; I212-H262 HydrophobicContact CG1-CB 4.06Å
213T97.8Very high96.6Very high58 Ų5845.5 Ų45.536%0.35624%0.244SC..EExtended strand (participates in β ladder)trans-115122.5176-58.20000109.9T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.04Å; T213-V260 WeakPolarHBondContact O-CA 3.46Å; T213-Q261 PolarHBondContact N-O 3.14Å; T213-Q261 PolarHBondContact O-N 2.83Å
214L97.8Very high96Very high6 Ų648.3 Ų48.33%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-116.9122.4172.6-86.961.7000108.5A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.28Å; I212-L214 HydrophobicContact CD1-CD1 3.71Å; I212-L214 HydrophobicContact CG1-CD1 3.67Å; I212-L214 HydrophobicContact CG2-CD1 4.16Å; L214-L229 HydrophobicContact CB-CD1 4.1Å; L214-K242 HydrophobicContact CD1-CD 4.26Å; L214-K242 HydrophobicContact CD2-CB 4.38Å; L214-K242 HydrophobicContact CD2-CG 4.39Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.25Å; L214-H259 WeakPolarHBondContact CA-O 3.4Å; L214-V260 HydrophobicContact CD1-CG1 4.04Å; L214-V260 HydrophobicContact CD1-CG2 4.5Å; L214-V260 HydrophobicContact CG-CG2 4.31Å
215T97Very high95.3Very high42 Ų4257.5 Ų57.526%0.25831%0.309SS..EExtended strand (participates in β ladder)trans-131150.5175.459.20000111.5T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.04Å; T215-C258 CarbonylContact O-C 3.51Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; T215-H259 PolarHBondContact N-O 3.15Å; T215-H259 PolarHBondContact O-N 2.87Å
216W97.6Very high94.6Very high3 Ų360.4 Ų60.41%0.01133%0.325CS..EExtended strand (participates in β ladder)trans-105.8137.7170.9-82.1102.4000110.2M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.2Å; M188-W216 HydrophobicContact CE-CZ2 4Å; M188-W216 HydrophobicContact CE-CZ3 3.62Å; M188-W216 HydrophobicContact SD-CH2 4.11Å; L200-W216 HydrophobicContact CB-CH2 3.59Å; L200-W216 HydrophobicContact CB-CZ2 3.91Å; L200-W216 HydrophobicContact CB-CZ3 4.44Å; L200-W216 HydrophobicContact CD1-CH2 4.07Å; L200-W216 HydrophobicContact CD1-CZ3 4.27Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; C202-W216 HydrophobicContact CB-CZ2 3.72Å; W216-Q223 HydrophobicContact CB-CB 4.21Å; W216-Q223 PolarHBondContact O-N 2.8Å; W216-A244 PolarHBondContact NE1-O 2.95Å; W216-V246 HydrophobicContact CD2-CB 4.32Å; W216-V246 HydrophobicContact CD2-CG1 3.57Å; W216-V246 HydrophobicContact CE3-CG1 3.83Å; W216-V246 HydrophobicContact CG-CB 4.18Å; W216-V246 HydrophobicContact CG-CG1 3.94Å; W216-V246 HydrophobicContact CH2-CG1 4.28Å; W216-V246 HydrophobicContact CZ2-CG1 4.08Å; W216-V246 HydrophobicContact CZ3-CG1 4.18Å; W216-T257 WeakPolarHBondContact CA-O 3.29Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; W216-C258 HydrophobicContact CD2-CB 4.22Å; W216-C258 HydrophobicContact CE3-CB 4.19Å; W216-C258 HydrophobicContact CH2-CB 4.15Å; W216-C258 HydrophobicContact CZ2-CB 4.14Å; W216-C258 HydrophobicContact CZ3-CB 4.15Å
217Q97.4Very high94.4Very high43 Ų4359.6 Ų59.620%0.20132%0.319CS..EExtended strand (participates in β ladder)trans-124147.7171.3-68-172.6-11.500110.3E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.34Å; Q217-D222 VanDerWaalsContact CG-OD1 3.3Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.42Å; Q217-D222 PolarHBondContact NE2-OD1 3.4Å; Q217-Y256 CarbonylContact O-C 3.52Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.31Å; Q217-T257 PolarHBondContact N-O 3.42Å; Q217-T257 PolarHBondContact O-N 2.74Å; Q217-H259 PolarHBondContact OE1-NE2 3.19Å
218R96.4Very high94.3Very high80 Ų8065.1 Ų65.130%0.30234%0.344SS..EExtended strand (participates in β ladder)trans-119.2116.1168.9-177.6-179.169.9-162-3.1108.6G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.49Å; R218-E221 PolarHBondContact N-O 2.94Å; R218-E221 PolarHBondContact O-N 3.32Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; R218-R255 WeakPolarHBondContact CA-O 3.46Å; R218-R255 HydrophobicContact CG-CB 4.35Å; R218-Y256 HydrophobicContact CB-CD1 4.05Å; R218-Y256 HydrophobicContact CB-CE1 3.87Å; R218-Y256 VanDerWaalsContact CD-CZ 3.49Å; R218-Y256 WeakPolarHBondContact CD-OH 3.38Å; R218-Y256 HydrophobicContact CG-CD1 4.41Å; R218-Y256 HydrophobicContact CG-CE1 4.06Å; R218-Y256 HydrophobicContact CG-CE2 4.2Å
219D94.3Very high94.3Very high99 Ų9969.3 Ų69.353%0.52937%0.366SS..THydrogen-bonded Turntrans50.130.2-174.8-53.2-51000114.1R255D219-R255 PolarHBondContact N-O 2.89Å; D219-R255 IonicContact OD1-NE 3.44Å; D219-R255 PolarHBondContact OD1-NE 2.92Å; D219-R255 IonicContact OD2-CZ 3.07Å; D219-R255 IonicContact OD2-NE 2.78Å; D219-R255 PolarHBondContact OD2-NE 2.69Å; D219-R255 IonicContact OD2-NH2 2.61Å; D219-R255 PolarHBondContact OD2-NH2 2.84Å
220G91.5Very high94.3Very high49 Ų4969.9 Ų69.951%0.50537%0.37SS..THydrogen-bonded Turntrans91.4-2.4-177.800000115.6R218R218-G220 PolarHBondContact O-N 3.49Å
221E94.8Very high94.3Very high131 Ų13177.5 Ų77.561%0.61240%0.403SS*.EExtended strand (participates in β ladder)trans-95.9128.3175.2-63.7-175.9166.200111.9Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.34Å; R218-E221 PolarHBondContact N-O 2.94Å; R218-E221 PolarHBondContact O-N 3.32Å; E221-Q223 PolarHBondContact O-NE2 2.88Å
222D94.7Very high94.3Very high100 Ų10072.7 Ų72.754%0.53538%0.384SS..EExtended strand (participates in β ladder)trans-61.8136.8-179.9-69-25.1000112.7Q217Q217-D222 VanDerWaalsContact CG-OD1 3.3Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.42Å; Q217-D222 PolarHBondContact NE2-OD1 3.4Å
223Q93.8Very high94.3Very high14 Ų1476.7 Ų76.77%0.06540%0.398CS..  trans-110.236.5-177.3-58-59.6-71.400112.7W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.21Å; W216-Q223 PolarHBondContact O-N 2.8Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; E221-Q223 PolarHBondContact O-NE2 2.88Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.47Å; Q223-D226 PolarHBondContact O-N 3.17Å; Q223-T227 WeakPolarHBondContact O-CB 3.37Å; Q223-T227 PolarHBondContact O-N 3.39Å; Q223-T227 PolarHBondContact O-OG1 3.34Å; Q223-Y256 HydrophobicContact CG-CE1 4.38Å
224T85.4Confident94.3Very high106 Ų10678.4 Ų78.465%0.6541%0.41SS*.THydrogen-bonded Turntrans-58.8-35.3-169.4-47.30000114.2
225Q84.8Confident94.2Very high192 Ų19280.5 Ų80.590%0.89743%0.428SS*.THydrogen-bonded Turntrans-76.2-30.4-178.9-67.4-173.96.500113.3Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.47Å; Q225-T227 VanDerWaalsContact C-N 3.33Å
226D84.5Confident94Very high110 Ų11082.1 Ų82.159%0.58845%0.453SS*.THydrogen-bonded Turntrans-94.22.7-178-57.8-46.2000112.3Q223Q223-D226 PolarHBondContact O-N 3.17Å
227T92.8Very high93.8Very high24 Ų2487 Ų8715%0.14748%0.48CS..EExtended strand (participates in β ladder)trans-97.1121.7-178.7-640000111Q223 Q225 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.37Å; Q223-T227 PolarHBondContact O-N 3.39Å; Q223-T227 PolarHBondContact O-OG1 3.34Å; Q225-T227 VanDerWaalsContact C-N 3.33Å; T227-L229 HydrophobicContact CG2-CB 4.34Å; T227-L229 PolarHBondContact O-N 3.01Å; T227-A244 HydrophobicContact CG2-CB 3.99Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.26Å
228E95.8Very high93.5Very high116 Ų11686.9 Ų86.954%0.54249%0.49SS..EExtended strand (participates in β ladder)trans-78.8105.3163.6-173.1-174.6-171.300108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 HydrophobicContact CG-CH2 3.86Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact O-CZ3 3.34Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.26Å; E228-A244 CarbonylContact O-C 3.5Å; E228-A244 WeakPolarHBondContact O-CA 3.44Å; E228-A245 HydrophobicContact CB-CB 4.38Å; E228-A245 PolarHBondContact N-O 3.15Å; E228-A245 PolarHBondContact O-N 3.02Å
229L96.3Very high93.5Very high90 Ų9083.7 Ų83.747%0.47148%0.479SS..EExtended strand (participates in β ladder)trans-110.7121.1178.4-175.568.1000110.1L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.1Å; T227-L229 HydrophobicContact CG2-CB 4.34Å; T227-L229 PolarHBondContact O-N 3.01Å; L229-K242 HydrophobicContact CD1-CD 4.5Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
230V96.6Very high93.7Very high34 Ų3480.1 Ų80.121%0.20646%0.459CS..PPolyproline II helixtrans-85.4152.5174.1-64.80000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.3Å; V230-K242 WeakPolarHBondContact O-CE 3.17Å; V230-K242 WeakPolarHBondContact O-CG 3.37Å; V230-K242 PolarHBondContact O-NZ 2.89Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.99Å; V230-W243 HydrophobicContact CG1-CE3 4.31Å; V230-W243 HydrophobicContact CG1-CH2 3.59Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.13Å; V230-W243 HydrophobicContact CG2-CD2 3.76Å; V230-W243 HydrophobicContact CG2-CE3 4.49Å; V230-W243 HydrophobicContact CG2-CG 3.74Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.37Å; V230-W243 PolarHBondContact N-O 3.1Å
231E96.6Very high94Very high174 Ų17479.8 Ų79.881%0.81345%0.445SS*.PPolyproline II helixtrans-57.8149.9167.1-67.1-173.8163.100111.2R233E231-R233 PolarHBondContact O-N 3.21Å
232T97.8Very high94.2Very high45 Ų4574.6 Ų74.628%0.27642%0.42SS..PPolyproline II helixtrans-68.2130.6175-56.20000108.6F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.11Å; F207-T232 HydrophobicContact CZ-CG2 3.86Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-T232 WeakPolarHBondContact O-CG2 3.49Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.36Å; T232-K242 PolarHBondContact OG1-NZ 3.13Å
233R96.9Very high94.3Very high95 Ų9571 Ų7136%0.35840%0.399SS..EExtended strand (participates in β ladder)trans-125.6145.2-175.169.2-166.7-179.5-173.83.9111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 3.21Å; R233-F240 WeakPolarHBondContact O-CA 3.43Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.11Å; R233-Q241 VanDerWaalsContact NE-OE1 3.16Å; R233-Q241 WeakPolarHBondContact O-CG 3.34Å; R233-Q241 PolarHBondContact O-N 2.78Å
234P96.9Very high94.5Very high94 Ų9470.3 Ų70.361%0.6140%0.396SS*.EExtended strand (participates in β ladder)trans-68.2145.517728.5-34.4000111.1F240P234-F240 HydrophobicContact CB-CE1 4.35Å
235A96.3Very high95.1Very high49 Ų4965.3 Ų65.341%0.40537%0.365SS..  trans-88.8-17173.400000113.1T239 Q241A235-T239 WeakPolarHBondContact CB-O 3.34Å; A235-T239 PolarHBondContact N-O 3.43Å; A235-Q241 HydrophobicContact CB-CG 4.5Å
236G93.2Very high95.7Very high77 Ų7756.4 Ų56.479%0.79432%0.324SS*.SBendtrans97.3-8.217900000114.9
237D92.3Very high96.2Very high105 Ų10554.8 Ų54.856%0.56132%0.318SS*.SBendtrans-10614.217762.4-1.8000112.9T239D237-T239 WeakPolarHBondContact OD1-CB 3.35Å; D237-T239 PolarHBondContact OD1-N 3.16Å; D237-T239 PolarHBondContact OD1-OG1 3.35Å
238G91.7Very high96.4Very high41 Ų4153.6 Ų53.642%0.42331%0.311SS..SBendtrans84.25.5-173.800000114.5Y208Y208-G238 WeakPolarHBondContact CD2-O 3.45Å
239T96.6Very high96.3Very high12 Ų1250.4 Ų50.47%0.07430%0.3CS..  trans-108.4172.9171.673.20000112.3F207 A235 D237F207-T239 WeakPolarHBondContact O-CA 3.22Å; A235-T239 WeakPolarHBondContact CB-O 3.34Å; A235-T239 PolarHBondContact N-O 3.43Å; D237-T239 WeakPolarHBondContact OD1-CB 3.35Å; D237-T239 PolarHBondContact OD1-N 3.16Å; D237-T239 PolarHBondContact OD1-OG1 3.35Å
240F98.1Very high96Very high24 Ų2448.7 Ų48.711%0.10530%0.296CS..EExtended strand (participates in β ladder)trans-120.2162.6-177.7-62.8-84.6000112.5D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.85Å; D29-F240 HydrophobicContact CB-CZ 3.54Å; S206-F240 PolarHBondContact N-O 2.76Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.47Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.2Å; F207-F240 WeakPolarHBondContact CE1-O 3.22Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 3.28Å; F207-F240 PolarHBondContact O-N 3.06Å; Y208-F240 HydrophobicContact CD2-CD2 4.35Å; Y208-F240 AromaticContact CD2-CE2 3.87Å; Y208-F240 HydrophobicContact CD2-CE2 3.87Å; Y208-F240 HydrophobicContact CE2-CE2 4.27Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.71Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.43Å; P234-F240 HydrophobicContact CB-CE1 4.35Å
241Q98.2Very high95.7Very high43 Ų4350.3 Ų50.320%0.20132%0.319CS..EExtended strand (participates in β ladder)trans-141.6147174.141165.5-20.200110.2A204 L205 R233 A235A204-Q241 CarbonylContact O-C 3.49Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.44Å; L205-Q241 HydrophobicContact CD2-CB 3.55Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.11Å; R233-Q241 VanDerWaalsContact NE-OE1 3.16Å; R233-Q241 WeakPolarHBondContact O-CG 3.34Å; R233-Q241 PolarHBondContact O-N 2.78Å; A235-Q241 HydrophobicContact CB-CG 4.5Å
242K98.5Very high95.5Very high22 Ų2245.1 Ų45.110%0.09629%0.294CS..EExtended strand (participates in β ladder)trans-151.6154177.2-162-176.9-171.969.90109.1A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.22Å; A204-K242 PolarHBondContact O-N 3.36Å; A204-K242 VanDerWaalsContact O-O 3.09Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.16Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; L214-K242 HydrophobicContact CD1-CD 4.26Å; L214-K242 HydrophobicContact CD2-CB 4.38Å; L214-K242 HydrophobicContact CD2-CG 4.39Å; L229-K242 HydrophobicContact CD1-CD 4.5Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.3Å; V230-K242 WeakPolarHBondContact O-CE 3.17Å; V230-K242 WeakPolarHBondContact O-CG 3.37Å; V230-K242 PolarHBondContact O-NZ 2.89Å; T232-K242 WeakPolarHBondContact OG1-CD 3.36Å; T232-K242 PolarHBondContact OG1-NZ 3.13Å
243W98.1Very high95.3Very high23 Ų2343.9 Ų43.99%0.08729%0.285CS..EExtended strand (participates in β ladder)trans-143.8157.3169.559.3-98.7000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.02Å; 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 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.43Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.48Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.82Å; W203-W243 AromaticContact CE3-CD1 3.81Å; W203-W243 HydrophobicContact CE3-CG 4.11Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.69Å; W203-W243 HydrophobicContact CH2-CG 4.27Å; W203-W243 HydrophobicContact CZ3-CB 4.26Å; W203-W243 AromaticContact CZ3-CD1 3.36Å; W203-W243 HydrophobicContact CZ3-CG 4.03Å; E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 HydrophobicContact CG-CH2 3.86Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact O-CZ3 3.34Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.26Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.99Å; V230-W243 HydrophobicContact CG1-CE3 4.31Å; V230-W243 HydrophobicContact CG1-CH2 3.59Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.13Å; V230-W243 HydrophobicContact CG2-CD2 3.76Å; V230-W243 HydrophobicContact CG2-CE3 4.49Å; V230-W243 HydrophobicContact CG2-CG 3.74Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.37Å; V230-W243 PolarHBondContact N-O 3.1Å; W243-A245 HydrophobicContact CE3-CB 4.01Å; W243-A245 HydrophobicContact CZ3-CB 3.71Å
244A97.9Very high95.1Very high0 Ų044 Ų440%029%0.29CS..EExtended strand (participates in β ladder)trans-131.2132.217400000108.7R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.41Å; C202-A244 PolarHBondContact N-O 3.32Å; C202-A244 PolarHBondContact O-N 2.92Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.25Å; W216-A244 PolarHBondContact NE1-O 2.95Å; T227-A244 HydrophobicContact CG2-CB 3.99Å; E228-A244 CarbonylContact O-C 3.5Å; E228-A244 WeakPolarHBondContact O-CA 3.44Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
245A97.3Very high95.1Very high2 Ų244.6 Ų44.62%0.01728%0.28CS..EExtended strand (participates in β ladder)trans-123.3146.9179.500000112T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.9Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.32Å; R201-A245 HydrophobicContact CB-CB 3.92Å; R201-A245 HydrophobicContact CG-CB 4.08Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.26Å; E228-A245 HydrophobicContact CB-CB 4.38Å; E228-A245 PolarHBondContact N-O 3.15Å; E228-A245 PolarHBondContact O-N 3.02Å; W243-A245 HydrophobicContact CE3-CB 4.01Å; W243-A245 HydrophobicContact CZ3-CB 3.71Å
246V96.9Very high95.1Very high4 Ų442.6 Ų42.62%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-136.2142.4175.864.70000109.1T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.34Å; L200-V246 HydrophobicContact CB-CG1 4.32Å; L200-V246 PolarHBondContact N-O 3.44Å; L200-V246 PolarHBondContact O-N 3.45Å; W216-V246 HydrophobicContact CD2-CB 4.32Å; W216-V246 HydrophobicContact CD2-CG1 3.57Å; W216-V246 HydrophobicContact CE3-CG1 3.83Å; W216-V246 HydrophobicContact CG-CB 4.18Å; W216-V246 HydrophobicContact CG-CG1 3.94Å; W216-V246 HydrophobicContact CH2-CG1 4.28Å; W216-V246 HydrophobicContact CZ2-CG1 4.08Å; W216-V246 HydrophobicContact CZ3-CG1 4.18Å; V246-V248 HydrophobicContact CG1-CG1 3.76Å; V246-Y256 HydrophobicContact CG1-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CD1 4.37Å; V246-Y256 HydrophobicContact CG2-CE1 4.13Å
247V96.2Very high95.3Very high76 Ų7639.4 Ų39.446%0.46123%0.228SC..EExtended strand (participates in β ladder)trans-84.8127.3171.5-178.70000108.2E197E197-V247 HydrophobicContact CB-CG1 4.15Å; E197-V247 HydrophobicContact CG-CG1 4.35Å
248V95.3Very high95.5Very high0 Ų034.4 Ų34.40%020%0.201CC..EExtended strand (participates in β ladder)trans-125.4142.8-176.5-52.80000110.5E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.02Å; A198-V248 HydrophobicContact CB-CG2 4.37Å; A198-V248 PolarHBondContact N-O 2.92Å; A198-V248 WeakPolarHBondContact O-CG2 3.33Å; A198-V248 PolarHBondContact O-N 2.9Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.2Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; V246-V248 HydrophobicContact CG1-CG1 3.76Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.67Å; V248-Y256 HydrophobicContact CG1-CD1 3.74Å; V248-Y256 HydrophobicContact CG1-CD2 3.51Å; V248-Y256 HydrophobicContact CG1-CE1 3.75Å; V248-Y256 HydrophobicContact CG1-CE2 3.52Å; V248-Y256 HydrophobicContact CG1-CG 3.62Å
249P94.9Very high95.8Very high48 Ų4834 Ų3431%0.31219%0.188SC..EExtended strand (participates in β ladder)trans-63.7140.2170.1-20.432.3000111H196 G251 Q252H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.25Å; P249-G251 PolarHBondContact O-N 3Å; P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.01Å; P249-Q252 PolarHBondContact O-N 3.26Å
250S90.1Very high95.9Very high55 Ų5533.4 Ų33.439%0.38518%0.184SC..THydrogen-bonded Turntrans-56.4132.4177.1-61.50000111.4H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 2.94Å; H196-S250 PolarHBondContact O-OG 3.02Å; E197-S250 PolarHBondContact N-OG 3.31Å; S250-Q252 VanDerWaalsContact C-N 3.3Å; S250-E253 WeakPolarHBondContact CA-OE1 3.24Å
251G89.4Confident95.9Very high67 Ų6737 Ų3769%0.69120%0.202SC*.THydrogen-bonded Turntrans84.4-3.3-17700000114.7P249 E253P249-G251 PolarHBondContact O-N 3Å; G251-E253 WeakPolarHBondContact CA-OE2 3.41Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 3.18Å; G251-E253 PolarHBondContact N-OE2 3.31Å
252Q93.6Very high95.9Very high65 Ų6535.8 Ų35.830%0.30420%0.195SC..  trans-104.55.5175.7-59.5-167.836.500113.3P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.01Å; P249-Q252 PolarHBondContact O-N 3.26Å; S250-Q252 VanDerWaalsContact C-N 3.3Å; Q252-Q254 PolarHBondContact O-N 3.33Å; Q252-Q254 VanDerWaalsContact O-N 3.11Å; Q252-R255 WeakPolarHBondContact O-CB 3.49Å; Q252-R255 PolarHBondContact O-N 3.02Å; Q252-Y256 HydrophobicContact CB-CE2 4.35Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.43Å
253E93.5Very high95.7Very high19 Ų1941.8 Ų41.89%0.08922%0.224CC..G310 helixtrans-55.1-36.4-174.1-59.679-175.500112L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.05Å; L200-E253 HydrophobicContact CD1-CG 4.41Å; L200-E253 HydrophobicContact CD2-CG 4.29Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.24Å; G251-E253 WeakPolarHBondContact CA-OE2 3.41Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 3.18Å; G251-E253 PolarHBondContact N-OE2 3.31Å; E253-R255 PolarHBondContact O-N 3.34Å; E253-Y256 PolarHBondContact O-N 2.89Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; E253-W273 HydrophobicContact CB-CD2 4.24Å; E253-W273 HydrophobicContact CB-CE3 3.45Å; E253-W273 VanDerWaalsContact CB-CE3 3.45Å; E253-W273 HydrophobicContact CB-CZ3 3.93Å; E253-W273 HydrophobicContact CG-CE3 3.86Å; E253-W273 HydrophobicContact CG-CZ3 3.98Å
254Q92.9Very high95.6Very high97 Ų9741.5 Ų41.545%0.45323%0.228SC..G310 helixtrans-68.1-19.2-179.7-64.6-57.8-42.600114.4Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 3.33Å; Q252-Q254 VanDerWaalsContact O-N 3.11Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å; Q254-W273 PolarHBondContact NE2-O 2.9Å
255R95.3Very high95.6Very high108 Ų10842.7 Ų42.741%0.40823%0.234SC..G310 helixtrans-77.3-16.4175.9-63.3174.567.4-175.58.2112R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.46Å; R218-R255 HydrophobicContact CG-CB 4.35Å; D219-R255 PolarHBondContact N-O 2.89Å; D219-R255 IonicContact OD1-NE 3.44Å; D219-R255 PolarHBondContact OD1-NE 2.92Å; D219-R255 IonicContact OD2-CZ 3.07Å; D219-R255 IonicContact OD2-NE 2.78Å; D219-R255 PolarHBondContact OD2-NE 2.69Å; D219-R255 IonicContact OD2-NH2 2.61Å; D219-R255 PolarHBondContact OD2-NH2 2.84Å; Q252-R255 WeakPolarHBondContact O-CB 3.49Å; Q252-R255 PolarHBondContact O-N 3.02Å; E253-R255 PolarHBondContact O-N 3.34Å
256Y96.3Very high95.5Very high6 Ų649 Ų492%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-97.3130.6-178-67-99.4000111Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.52Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.31Å; R218-Y256 HydrophobicContact CB-CD1 4.05Å; R218-Y256 HydrophobicContact CB-CE1 3.87Å; R218-Y256 VanDerWaalsContact CD-CZ 3.49Å; R218-Y256 WeakPolarHBondContact CD-OH 3.38Å; R218-Y256 HydrophobicContact CG-CD1 4.41Å; R218-Y256 HydrophobicContact CG-CE1 4.06Å; R218-Y256 HydrophobicContact CG-CE2 4.2Å; Q223-Y256 HydrophobicContact CG-CE1 4.38Å; V246-Y256 HydrophobicContact CG1-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CD1 4.37Å; V246-Y256 HydrophobicContact CG2-CE1 4.13Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.67Å; V248-Y256 HydrophobicContact CG1-CD1 3.74Å; V248-Y256 HydrophobicContact CG1-CD2 3.51Å; V248-Y256 HydrophobicContact CG1-CE1 3.75Å; V248-Y256 HydrophobicContact CG1-CE2 3.52Å; V248-Y256 HydrophobicContact CG1-CG 3.62Å; Q252-Y256 HydrophobicContact CB-CE2 4.35Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.43Å; E253-Y256 PolarHBondContact O-N 2.89Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å
257T97.3Very high95.5Very high11 Ų1156.6 Ų56.67%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-123.3134.4175.9460000110.5W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.29Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; Q217-T257 PolarHBondContact N-O 3.42Å; Q217-T257 PolarHBondContact O-N 2.74Å; T257-H259 PolarHBondContact OG1-NE2 2.84Å; T257-T270 HydrophobicContact CG2-CG2 3.88Å; T257-L271 WeakPolarHBondContact CA-O 3.34Å; T257-R272 HydrophobicContact CG2-CG 3.53Å; T257-R272 VanDerWaalsContact CG2-NE 3.35Å
258C97.8Very high95.5Very high0 Ų056.9 Ų56.90%031%0.311CS..EExtended strand (participates in β ladder)trans-94.7128.9168.9174.50000109.4M188 C202 T215 W216 T270 L271M188-C258 HydrophobicContact CE-CB 3.4Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.45Å; C202-C258 WeakPolarHBondContact SG-CB 3.34Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.7Å; T215-C258 CarbonylContact O-C 3.51Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; W216-C258 HydrophobicContact CD2-CB 4.22Å; W216-C258 HydrophobicContact CE3-CB 4.19Å; W216-C258 HydrophobicContact CH2-CB 4.15Å; W216-C258 HydrophobicContact CZ2-CB 4.14Å; W216-C258 HydrophobicContact CZ3-CB 4.15Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.47Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 2.73Å; C258-L271 PolarHBondContact O-N 2.88Å
259H97.7Very high95.6Very high32 Ų3259.9 Ų59.915%0.14833%0.327CS..EExtended strand (participates in β ladder)trans-107.9128.7177.3-62.2-103.2000109.5L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.4Å; T215-H259 PolarHBondContact N-O 3.15Å; T215-H259 PolarHBondContact O-N 2.87Å; Q217-H259 PolarHBondContact OE1-NE2 3.19Å; T257-H259 PolarHBondContact OG1-NE2 2.84Å; H259-L269 WeakPolarHBondContact CA-O 3.32Å; H259-T270 PolarHBondContact ND1-OG1 3.41Å
260V98.2Very high95.7Very high0 Ų061.4 Ų61.40%034%0.335CS..EExtended strand (participates in β ladder)trans-121.1119.7-178.5-174.60000108.9P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.99Å; T186-V260 HydrophobicContact CG2-CG1 4.32Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; 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 4.04Å; L214-V260 HydrophobicContact CD1-CG2 4.5Å; L214-V260 HydrophobicContact CG-CG2 4.31Å; V260-L265 HydrophobicContact CG1-CD1 4.18Å; V260-P268 WeakPolarHBondContact O-CA 3.43Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.36Å; V260-L269 PolarHBondContact O-N 3.24Å; V260-L271 HydrophobicContact CG2-CD1 3.99Å
261Q98.3Very high96Very high100 Ų10060.5 Ų60.547%0.46733%0.326SS..EExtended strand (participates in β ladder)trans-115.2129173.7-51-178.718.400109.1I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.32Å; I212-Q261 WeakPolarHBondContact CG1-O 3.2Å; T213-Q261 PolarHBondContact N-O 3.14Å; T213-Q261 PolarHBondContact O-N 2.83Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.16Å
262H97.9Very high96.2Very high16 Ų1664.8 Ų64.87%0.07432%0.321CS..  trans-155.7145.8-178.9-175.7-100.6000108.6D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.04Å; P184-H262 HydrophobicContact CG-CB 4.15Å; F207-H262 AromaticContact CD2-CD2 3.79Å; F207-H262 AromaticContact CD2-NE2 3.58Å; Y208-H262 PolarHBondContact O-CE1 2.75Å; P209-H262 PolarHBondContact O-NE2 2.82Å; E211-H262 PolarHBondContact O-CD2 3.32Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å; I212-H262 HydrophobicContact CD1-CB 4.29Å; I212-H262 HydrophobicContact CG1-CB 4.06Å; H262-G264 VanDerWaalsContact C-N 3.25Å; H262-G264 PolarHBondContact ND1-N 2.83Å; H262-G264 PolarHBondContact O-N 3.32Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.23Å; H262-L265 PolarHBondContact O-N 3.17Å
263E95.3Very high96.1Very high149 Ų14963.9 Ų63.970%0.69632%0.315SS*.THydrogen-bonded Turntrans-61.1-34.1-178.3-174.5176.7172.800112.8T181 L265T181-E263 HydrophobicContact CG2-CG 4.1Å; E263-L265 PolarHBondContact O-N 2.04Å
264G95.1Very high95.7Very high17 Ų1770.6 Ų70.618%0.17535%0.347CS..THydrogen-bonded Turntrans-68.9-4.917400000115A183 H262A183-G264 WeakPolarHBondContact CB-O 3.29Å; H262-G264 VanDerWaalsContact C-N 3.25Å; H262-G264 PolarHBondContact ND1-N 2.83Å; H262-G264 PolarHBondContact O-N 3.32Å
265L97.4Very high95Very high24 Ų2469.8 Ų69.813%0.12635%0.35CS..  trans-100.6127175.5-65.8170.3000110.4A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 3.98Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.44Å; P184-L265 HydrophobicContact CG-CG 4.2Å; V260-L265 HydrophobicContact CG1-CD1 4.18Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.23Å; H262-L265 PolarHBondContact O-N 3.17Å; E263-L265 PolarHBondContact O-N 2.04Å; L265-K267 WeakPolarHBondContact CB-O 3.46Å; L265-K267 PolarHBondContact O-N 3.39Å; L265-L269 HydrophobicContact CD1-CB 4.42Å; L265-L269 HydrophobicContact CD1-CD1 3.87Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CD2-CD1 3.58Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.39Å; L265-L269 HydrophobicContact CG-CG 4.44Å
266P95.8Very high93.4Very high134 Ų13469.2 Ų69.287%0.8736%0.362SS*.SBendtrans-66.1-25178.127.2-34.8000112.7
267K96.6Very high91Very high165 Ų16574.3 Ų74.372%0.71740%0.399SS*.SBendtrans-145.5151173.3-65.1-176.2-177.9178.30109L265 L269L265-K267 WeakPolarHBondContact CB-O 3.46Å; L265-K267 PolarHBondContact O-N 3.39Å; K267-L269 PolarHBondContact O-N 2.87Å
268P96.9Very high88.6Confident81 Ų8181.4 Ų81.453%0.52643%0.431SS..  trans-51.4135.7172-28.136.4000112V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.43Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.16Å
269L97.1Very high85.9Confident63 Ų6386.5 Ų86.533%0.3346%0.464SS..EExtended strand (participates in β ladder)trans-86.7141.5173.4-67.7176.9000109.7T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.42Å; H259-L269 WeakPolarHBondContact CA-O 3.32Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.36Å; V260-L269 PolarHBondContact O-N 3.24Å; L265-L269 HydrophobicContact CD1-CB 4.42Å; L265-L269 HydrophobicContact CD1-CD1 3.87Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CD2-CD1 3.58Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.39Å; L265-L269 HydrophobicContact CG-CG 4.44Å; K267-L269 PolarHBondContact O-N 2.87Å
270T97.1Very high83.6Confident80 Ų8091.3 Ų91.349%0.49150%0.496SS..EExtended strand (participates in β ladder)trans-120.7118.1171-56.60000107.9T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.88Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.47Å; H259-T270 PolarHBondContact ND1-OG1 3.41Å
271L95.8Very high81.5Confident36 Ų3696.3 Ų96.319%0.18852%0.521CS..EExtended strand (participates in β ladder)trans-108.5137.2-176.9-64157.7000109T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.06Å; M188-L271 HydrophobicContact CE-CB 3.76Å; M188-L271 VanDerWaalsContact CE-O 3.26Å; M188-L271 WeakPolarHBondContact CE-O 3.3Å; M188-L271 HydrophobicContact SD-CB 4.46Å; T257-L271 WeakPolarHBondContact CA-O 3.34Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 2.73Å; C258-L271 PolarHBondContact O-N 2.88Å; V260-L271 HydrophobicContact CG2-CD1 3.99Å
272R93.9Very high79.3Confident157 Ų15795.7 Ų95.759%0.59253%0.526SS*.EExtended strand (participates in β ladder)trans-117.7151.7168.2-72.6-177.6179.7157.20.1108.6T257 E274T257-R272 HydrophobicContact CG2-CG 3.53Å; T257-R272 VanDerWaalsContact CG2-NE 3.35Å; R272-E274 PolarHBondContact O-N 2.71Å
273W92.1Very high77.4Confident46 Ų46100.4 Ų100.417%0.17455%0.551CS.*  trans-72125.3174.8174.271.6000108.7M188 H190 L200 E253 Q254 P275M188-W273 WeakPolarHBondContact SD-CA 3.33Å; M188-W273 HydrophobicContact SD-CB 3.83Å; M188-W273 PolarHBondContact SD-N 2.98Å; H190-W273 HydrophobicContact CB-CZ2 4.17Å; H190-W273 AromaticContact CD2-CZ2 3.96Å; H190-W273 AromaticContact CG-CE2 3.98Å; H190-W273 AromaticContact CG-CZ2 3.97Å; H190-W273 AromaticContact CG-NE1 3.98Å; L200-W273 HydrophobicContact CD1-CB 4.23Å; L200-W273 HydrophobicContact CD2-CB 3.93Å; L200-W273 HydrophobicContact CD2-CD2 4.32Å; L200-W273 HydrophobicContact CD2-CG 3.79Å; E253-W273 HydrophobicContact CB-CD2 4.24Å; E253-W273 HydrophobicContact CB-CE3 3.45Å; E253-W273 VanDerWaalsContact CB-CE3 3.45Å; E253-W273 HydrophobicContact CB-CZ3 3.93Å; E253-W273 HydrophobicContact CG-CE3 3.86Å; E253-W273 HydrophobicContact CG-CZ3 3.98Å; Q254-W273 PolarHBondContact NE2-O 2.9Å; W273-P275 HydrophobicContact CE3-CG 4.3Å; W273-P275 HydrophobicContact CH2-CB 3.89Å; W273-P275 HydrophobicContact CH2-CG 3.68Å; W273-P275 HydrophobicContact CZ2-CB 4.1Å; W273-P275 HydrophobicContact CZ2-CG 4.26Å; W273-P275 HydrophobicContact CZ3-CB 4.4Å; W273-P275 HydrophobicContact CZ3-CG 3.7Å
274E84.3Confident75.5Confident161 Ų16199 Ų9975%0.75255%0.552SS**  trans-108126.6170-74.8-178176.500108.6R272 S276R272-E274 PolarHBondContact O-N 2.71Å; E274-S276 PolarHBondContact O-N 3.17Å; E274-S276 VanDerWaalsContact O-N 3.16Å
275P78.1Confident73.8Confident80 Ų80100.3 Ų100.352%0.51957%0.566SS.*  trans-57.5122.9170.7-14.524000108.5W273 S277W273-P275 HydrophobicContact CE3-CG 4.3Å; W273-P275 HydrophobicContact CH2-CB 3.89Å; W273-P275 HydrophobicContact CH2-CG 3.68Å; W273-P275 HydrophobicContact CZ2-CB 4.1Å; W273-P275 HydrophobicContact CZ2-CG 4.26Å; W273-P275 HydrophobicContact CZ3-CB 4.4Å; W273-P275 HydrophobicContact CZ3-CG 3.7Å; P275-S277 PolarHBondContact O-N 2.99Å
276S62.3Low72.3Confident95 Ų95103.7 Ų103.766%0.66458%0.583SS**  trans-50.4109174.81400000109.7E274 Q278E274-S276 PolarHBondContact O-N 3.17Å; E274-S276 VanDerWaalsContact O-N 3.16Å; S276-Q278 PolarHBondContact O-N 3.37Å; S276-Q278 PolarHBondContact OG-N 3.48Å
277S46.6Very low70.9Confident113 Ų113101.9 Ų101.979%0.7957%0.565SS**  trans-76.266.7165.862.70000108.2P275 P279P275-S277 PolarHBondContact O-N 2.99Å; S277-P279 WeakPolarHBondContact O-CD 3.04Å
278Q45.4Very low69.5Low160 Ų16096.4 Ų96.475%0.74855%0.55SS**  trans-68.4113.8157.2-85.9-173.3-14.300105.2S276 T280S276-Q278 PolarHBondContact O-N 3.37Å; S276-Q278 PolarHBondContact OG-N 3.48Å; Q278-T280 PolarHBondContact O-N 3.43Å
279P42.7Very low68.4Low107 Ų10794 Ų9470%0.69554%0.541SS*.  trans-59.1117.5166.624.4-29.1000105.2S277 I281S277-P279 WeakPolarHBondContact O-CD 3.04Å; P279-I281 PolarHBondContact O-N 2.94Å
280T49.4Very low67.4Low133 Ų13396.7 Ų96.782%0.81656%0.555SS**  trans-61.984.7163.3-35.60000105Q278 P282Q278-T280 PolarHBondContact O-N 3.43Å; T280-P282 VanDerWaalsContact O-CD 3.25Å; T280-P282 WeakPolarHBondContact O-CD 3.03Å
281I52.7Low66.3Low105 Ų10597.5 Ų97.554%0.53856%0.559SS.*  trans-52.7118.4168.2-64.1175.7000103.1P279 I283 I286P279-I281 PolarHBondContact O-N 2.94Å; I281-I283 PolarHBondContact O-N 2.99Å; I281-I286 HydrophobicContact CG2-CD1 3.76Å
282P52.7Low65.2Low87 Ų87101.5 Ų101.557%0.56558%0.58SS**  trans-7383.1-176.529.1-32000106.6T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.25Å; T280-P282 WeakPolarHBondContact O-CD 3.03Å; P282-V284 PolarHBondContact O-N 2.99Å; P282-V284 VanDerWaalsContact O-N 3.11Å; P282-G285 WeakPolarHBondContact O-CA 3.36Å; P282-G285 PolarHBondContact O-N 3.02Å; P282-I286 PolarHBondContact O-N 2.99Å
283I58.8Low64.1Low115 Ų115101.1 Ų101.159%0.5958%0.583SS**Hα-helixtrans-53.8-33.3178.1-67.5167000108.9I281 G285 I286 I287I281-I283 PolarHBondContact O-N 2.99Å; I283-G285 PolarHBondContact O-N 3.46Å; I283-I286 PolarHBondContact O-N 2.7Å; I283-I287 HydrophobicContact CG2-CD1 3.74Å; I283-I287 HydrophobicContact CG2-CG1 4.39Å; I283-I287 VanDerWaalsContact O-CG1 3.25Å; I283-I287 WeakPolarHBondContact O-CG1 3.42Å; I283-I287 PolarHBondContact O-N 3.2Å
284V54.9Low63.1Low121 Ų121100.5 Ų100.573%0.73359%0.591SS**Hα-helixtrans-62.1-40.1173.9-175.10000112.7P282 A288P282-V284 PolarHBondContact O-N 2.99Å; P282-V284 VanDerWaalsContact O-N 3.11Å; V284-A288 WeakPolarHBondContact O-CB 3.2Å; V284-A288 PolarHBondContact O-N 3.13Å
285G59.3Low62.6Low44 Ų4495.7 Ų95.745%0.45458%0.578SS.*Hα-helixtrans-69.7-36.417900000112.9P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.36Å; P282-G285 PolarHBondContact O-N 3.02Å; I283-G285 PolarHBondContact O-N 3.46Å; G285-G289 PolarHBondContact O-N 3.34Å
286I64.8Low62.5Low94 Ų9496.7 Ų96.748%0.48258%0.583SS.*Hα-helixtrans-70.1-42.5176.1-61.3174.7000110.4I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.76Å; P282-I286 PolarHBondContact O-N 2.99Å; I283-I286 PolarHBondContact O-N 2.7Å; I286-G289 PolarHBondContact O-N 3.26Å; I286-L290 HydrophobicContact CG2-CD1 3.97Å; I286-L290 HydrophobicContact CG2-CG 4.49Å; I286-L290 WeakPolarHBondContact O-CB 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.45Å; I286-L290 PolarHBondContact O-N 2.95Å
287I67.1Low63Low96 Ų9697 Ų9749%0.49258%0.576SS.*Hα-helixtrans-64.6-46.4176.9-67.1168.9000110.8I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.74Å; I283-I287 HydrophobicContact CG2-CG1 4.39Å; I283-I287 VanDerWaalsContact O-CG1 3.25Å; I283-I287 WeakPolarHBondContact O-CG1 3.42Å; I283-I287 PolarHBondContact O-N 3.2Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 3.05Å; I287-L290 PolarHBondContact O-N 3.43Å; I287-V291 HydrophobicContact CG2-CG2 4.35Å; I287-V291 VanDerWaalsContact O-CG2 3.29Å; I287-V291 WeakPolarHBondContact O-CG2 3.47Å; I287-V291 PolarHBondContact O-N 2.94Å
288A68.1Low64.1Low50 Ų5095.9 Ų95.941%0.41357%0.565SS.*Hα-helixtrans-60.9-41.8176.900000111.9V284 V291 L292V284-A288 WeakPolarHBondContact O-CB 3.2Å; V284-A288 PolarHBondContact O-N 3.13Å; A288-V291 PolarHBondContact O-N 3.42Å; A288-L292 WeakPolarHBondContact O-CB 2.85Å; A288-L292 WeakPolarHBondContact O-CG 3.45Å; A288-L292 PolarHBondContact O-N 3.43Å
289G72.3Confident65.4Low32 Ų3290.2 Ų90.233%0.3355%0.55SS..Hα-helixtrans-61.7-44.7175.500000113.1G285 I286 I287 L292 F293G285-G289 PolarHBondContact O-N 3.34Å; I286-G289 PolarHBondContact O-N 3.26Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 3.05Å; G289-L292 PolarHBondContact O-N 3.22Å; G289-F293 WeakPolarHBondContact O-CB 3.37Å; G289-F293 PolarHBondContact O-N 2.87Å
290L76.2Confident66.9Low119 Ų11988 Ų8862%0.62354%0.54SS*.Hα-helixtrans-67.5-39178.4-75.2169.7000112.8I286 I287 F293 G294I286-L290 HydrophobicContact CG2-CD1 3.97Å; I286-L290 HydrophobicContact CG2-CG 4.49Å; I286-L290 WeakPolarHBondContact O-CB 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.45Å; I286-L290 PolarHBondContact O-N 2.95Å; I287-L290 PolarHBondContact O-N 3.43Å; L290-F293 PolarHBondContact O-N 3.01Å; L290-G294 PolarHBondContact O-N 2.92Å
291V75.3Confident68Low97 Ų9785.7 Ų85.759%0.58853%0.525SS*.Hα-helixtrans-65.3-43.3176.3171.80000110.7I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.35Å; I287-V291 VanDerWaalsContact O-CG2 3.29Å; I287-V291 WeakPolarHBondContact O-CG2 3.47Å; I287-V291 PolarHBondContact O-N 2.94Å; A288-V291 PolarHBondContact O-N 3.42Å; V291-G294 PolarHBondContact O-N 3.23Å; V291-A295 WeakPolarHBondContact O-CB 3.46Å; V291-A295 PolarHBondContact O-N 3.35Å
292L72.4Confident69Low119 Ų11984.5 Ų84.562%0.62352%0.523SS*.Hα-helixtrans-64.6-44.9176.2-74.8168.8000111.7A288 G289 G294 A295 V296A288-L292 WeakPolarHBondContact O-CB 2.85Å; A288-L292 WeakPolarHBondContact O-CG 3.45Å; A288-L292 PolarHBondContact O-N 3.43Å; G289-L292 PolarHBondContact O-N 3.22Å; L292-G294 PolarHBondContact O-N 2.88Å; L292-A295 PolarHBondContact O-N 2.87Å; L292-V296 WeakPolarHBondContact O-CG2 3.42Å; L292-V296 PolarHBondContact O-N 2.84Å
293F71.1Confident69.9Low150 Ų15083.1 Ų83.166%0.65852%0.519SS*.Hα-helixtrans-61.6-43.7175.9-111.7-89000112G289 L290 V296 I297G289-F293 WeakPolarHBondContact O-CB 3.37Å; G289-F293 PolarHBondContact O-N 2.87Å; L290-F293 PolarHBondContact O-N 3.01Å; F293-V296 PolarHBondContact O-N 2.87Å; F293-I297 HydrophobicContact CD1-CD1 4.43Å; F293-I297 WeakPolarHBondContact O-CG1 3.42Å; F293-I297 PolarHBondContact O-N 3.29Å
294G70.5Confident70.5Confident32 Ų3280.3 Ų80.333%0.3351%0.513SS..Hα-helixtrans-59.1-46.617500000112L290 V291 L292 V296 I297 T298L290-G294 PolarHBondContact O-N 2.92Å; V291-G294 PolarHBondContact O-N 3.23Å; L292-G294 PolarHBondContact O-N 2.88Å; G294-V296 PolarHBondContact O-N 2.94Å; G294-I297 PolarHBondContact O-N 3.2Å; G294-T298 WeakPolarHBondContact O-CB 3.18Å; G294-T298 PolarHBondContact O-N 3.12Å; G294-T298 PolarHBondContact O-OG1 3.48Å
295A73.3Confident71.3Confident60 Ų6078.4 Ų78.450%0.49650%0.502SS..Hα-helixtrans-62.4-41.6178.300000112.6V291 L292 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.46Å; V291-A295 PolarHBondContact O-N 3.35Å; L292-A295 PolarHBondContact O-N 2.87Å; A295-T298 PolarHBondContact O-N 3.27Å; A295-G299 PolarHBondContact O-N 2.68Å
296V76.6Confident71.9Confident102 Ų10282.6 Ų82.662%0.61851%0.511SS*.Hα-helixtrans-64.9-45.6177.5172.20000111.3L292 F293 G294 T298 G299 A300L292-V296 WeakPolarHBondContact O-CG2 3.42Å; L292-V296 PolarHBondContact O-N 2.84Å; F293-V296 PolarHBondContact O-N 2.87Å; G294-V296 PolarHBondContact O-N 2.94Å; V296-T298 VanDerWaalsContact C-N 3.35Å; V296-T298 PolarHBondContact O-N 3.42Å; V296-G299 PolarHBondContact O-N 2.84Å; V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 3.23Å
297I72.7Confident72.1Confident101 Ų10187.9 Ų87.952%0.51853%0.525SS..Hα-helixtrans-63-44.6178-67.9176.5000110.2F293 G294 G299 A300 V301F293-I297 HydrophobicContact CD1-CD1 4.43Å; F293-I297 WeakPolarHBondContact O-CG1 3.42Å; F293-I297 PolarHBondContact O-N 3.29Å; G294-I297 PolarHBondContact O-N 3.2Å; I297-G299 PolarHBondContact O-N 3.26Å; I297-A300 PolarHBondContact O-N 3.17Å; I297-V301 HydrophobicContact CG2-CG2 4.34Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.25Å; I297-V301 PolarHBondContact O-N 3.13Å
298T70.7Confident72Confident89 Ų8992.8 Ų92.855%0.54654%0.537SS..Hα-helixtrans-63.9-43.4179.7-40.20000111G294 A295 V296 V301 V302G294-T298 WeakPolarHBondContact O-CB 3.18Å; G294-T298 PolarHBondContact O-N 3.12Å; G294-T298 PolarHBondContact O-OG1 3.48Å; A295-T298 PolarHBondContact O-N 3.27Å; V296-T298 VanDerWaalsContact C-N 3.35Å; V296-T298 PolarHBondContact O-N 3.42Å; T298-V301 PolarHBondContact O-N 3.44Å; T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.45Å; T298-V302 PolarHBondContact O-N 2.85Å
299G71.6Confident71.6Confident42 Ų4299.7 Ų99.743%0.43355%0.552SS.*Hα-helixtrans-61.6-43.2174.800000113.1A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 2.68Å; V296-G299 PolarHBondContact O-N 2.84Å; I297-G299 PolarHBondContact O-N 3.26Å; G299-V302 PolarHBondContact O-N 3.4Å; G299-A303 WeakPolarHBondContact O-CB 3.34Å; G299-A303 PolarHBondContact O-N 3.14Å
300A73.5Confident70.8Confident60 Ų60106.8 Ų106.850%0.49657%0.574SS.*Hα-helixtrans-65.1-41.2177.300000112.3V296 I297 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 3.23Å; I297-A300 PolarHBondContact O-N 3.17Å; A300-A303 PolarHBondContact O-N 3.48Å; A300-A304 VanDerWaalsContact O-CB 3.3Å; A300-A304 WeakPolarHBondContact O-CB 3.42Å; A300-A304 PolarHBondContact O-N 3.04Å
301V74.6Confident69.7Low84 Ų84104.5 Ų104.551%0.50957%0.568SS.*Hα-helixtrans-65.3-45.2176.5172.20000110.8I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.34Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.25Å; I297-V301 PolarHBondContact O-N 3.13Å; T298-V301 PolarHBondContact O-N 3.44Å; V301-A303 PolarHBondContact O-N 3.17Å; V301-A304 PolarHBondContact O-N 2.82Å; V301-V305 HydrophobicContact CG1-CG2 4.29Å; V301-V305 WeakPolarHBondContact O-CB 3.1Å; V301-V305 VanDerWaalsContact O-CG2 3.25Å; V301-V305 WeakPolarHBondContact O-CG2 3.42Å; V301-V305 PolarHBondContact O-N 3.39Å
302V73.6Confident68.6Low80 Ų80103.8 Ų103.849%0.48557%0.568SS.*Hα-helixtrans-61.6-44.5176.8172.80000110.8T298 G299 A304 V305 M306T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.45Å; T298-V302 PolarHBondContact O-N 2.85Å; G299-V302 PolarHBondContact O-N 3.4Å; V302-A304 PolarHBondContact O-N 3.17Å; V302-V305 PolarHBondContact O-N 2.89Å; V302-M306 HydrophobicContact CG1-CG 4.5Å; V302-M306 HydrophobicContact CG1-SD 4.19Å; V302-M306 WeakPolarHBondContact O-CB 3.28Å; V302-M306 WeakPolarHBondContact O-CG 3.41Å; V302-M306 PolarHBondContact O-N 3.4Å
303A70.4Confident67.4Low58 Ų58105.6 Ų105.648%0.47958%0.578SS.*Hα-helixtrans-61.7-43.4176.200000112.2G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.34Å; G299-A303 PolarHBondContact O-N 3.14Å; A300-A303 PolarHBondContact O-N 3.48Å; V301-A303 PolarHBondContact O-N 3.17Å; A303-M306 PolarHBondContact O-N 3.25Å; A303-W307 WeakPolarHBondContact O-CB 3.46Å; A303-W307 PolarHBondContact O-N 3.23Å
304A71.6Confident66.2Low57 Ų57108.8 Ų108.847%0.47159%0.586SS.*Hα-helixtrans-65.6-39.5177.100000112.6A300 V301 V302 W307 R308A300-A304 VanDerWaalsContact O-CB 3.3Å; A300-A304 WeakPolarHBondContact O-CB 3.42Å; A300-A304 PolarHBondContact O-N 3.04Å; V301-A304 PolarHBondContact O-N 2.82Å; V302-A304 PolarHBondContact O-N 3.17Å; A304-W307 PolarHBondContact O-N 3.44Å; A304-R308 WeakPolarHBondContact O-CB 3.38Å; A304-R308 PolarHBondContact O-N 2.94Å
305V71.5Confident64.7Low81 Ų81117 Ų11749%0.49161%0.613SS.*Hα-helixtrans-67.6-42176.4170.10000111V301 V302 W307 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.29Å; V301-V305 WeakPolarHBondContact O-CB 3.1Å; V301-V305 VanDerWaalsContact O-CG2 3.25Å; V301-V305 WeakPolarHBondContact O-CG2 3.42Å; V301-V305 PolarHBondContact O-N 3.39Å; V302-V305 PolarHBondContact O-N 2.89Å; V305-W307 VanDerWaalsContact C-N 3.34Å; V305-R308 PolarHBondContact O-N 2.91Å; V305-R309 PolarHBondContact O-N 3.34Å
306M71.5Confident62.8Low131 Ų131117.9 Ų117.965%0.64563%0.627SS**Hα-helixtrans-63.8-39.8174.2-73.5-176.26900111.9V302 A303 R309 K310V302-M306 HydrophobicContact CG1-CG 4.5Å; V302-M306 HydrophobicContact CG1-SD 4.19Å; V302-M306 WeakPolarHBondContact O-CB 3.28Å; V302-M306 WeakPolarHBondContact O-CG 3.41Å; V302-M306 PolarHBondContact O-N 3.4Å; A303-M306 PolarHBondContact O-N 3.25Å; M306-R309 PolarHBondContact O-N 3.33Å; M306-K310 WeakPolarHBondContact O-CB 3.22Å; M306-K310 PolarHBondContact O-N 3.17Å
307W69.8Low60.7Low206 Ų206117 Ų11778%0.7864%0.638SS**Hα-helixtrans-63.5-44173.9-161.7-60.6000111.4A303 A304 V305 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.46Å; A303-W307 PolarHBondContact O-N 3.23Å; A304-W307 PolarHBondContact O-N 3.44Å; V305-W307 VanDerWaalsContact C-N 3.34Å; W307-K310 PolarHBondContact O-N 2.78Å; W307-S311 PolarHBondContact O-N 3.15Å; W307-S311 PolarHBondContact O-OG 3.16Å
308R65.2Low58.9Low198 Ų198117.8 Ų117.875%0.74765%0.653SS**Hα-helixtrans-61.6-43.7176.2-94.5-173.2177.4176.30.5112.4A304 V305 K310 S311 S312A304-R308 WeakPolarHBondContact O-CB 3.38Å; A304-R308 PolarHBondContact O-N 2.94Å; V305-R308 PolarHBondContact O-N 2.91Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.26Å; R308-S311 WeakPolarHBondContact CA-OG 3.39Å; R308-S311 PolarHBondContact O-N 3.19Å; R308-S311 VanDerWaalsContact O-N 3.16Å; R308-S311 PolarHBondContact O-OG 3.15Å; R308-S312 PolarHBondContact O-N 3.35Å; R308-S312 PolarHBondContact O-OG 3.36Å
309R59.7Low57Low195 Ų195124 Ų12474%0.73667%0.668SS**Hα-helixtrans-61.6-39.6175.3-104.6-176.6166.1177.1-3.6112.1V305 M306 S311 S312V305-R309 PolarHBondContact O-N 3.34Å; M306-R309 PolarHBondContact O-N 3.33Å; R309-S311 VanDerWaalsContact C-N 3.32Å; R309-S311 PolarHBondContact O-N 3.06Å; R309-S312 PolarHBondContact O-OG 3.04Å; R309-S312 VanDerWaalsContact O-OG 3.11Å
310K54.2Low55.2Low181 Ų181127 Ų12779%0.78768%0.683SS**Hα-helixtrans-71.1-25.4176-166.6171.3178.41790113M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.22Å; M306-K310 PolarHBondContact O-N 3.17Å; W307-K310 PolarHBondContact O-N 2.78Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.26Å
311S53.8Low53.3Low71 Ų71133.3 Ų133.350%0.49770%0.702SS.*Hα-helixtrans-87.6-23.9175.560.10000114.7W307 R308 R309W307-S311 PolarHBondContact O-N 3.15Å; W307-S311 PolarHBondContact O-OG 3.16Å; R308-S311 WeakPolarHBondContact CA-OG 3.39Å; R308-S311 PolarHBondContact O-N 3.19Å; R308-S311 VanDerWaalsContact O-N 3.16Å; R308-S311 PolarHBondContact O-OG 3.15Å; R309-S311 VanDerWaalsContact C-N 3.32Å; R309-S311 PolarHBondContact O-N 3.06Å
312S52.5Low51.2Low83 Ų83134 Ų13458%0.5872%0.716SS**Hα-helixtrans-79.5-17.1-179.856.40000114.1R308 R309 R314R308-S312 PolarHBondContact O-N 3.35Å; R308-S312 PolarHBondContact O-OG 3.36Å; R309-S312 PolarHBondContact O-OG 3.04Å; R309-S312 VanDerWaalsContact O-OG 3.11Å; S312-R314 PolarHBondContact O-N 3Å
313D47.1Very low49.3Very low156 Ų156134.5 Ų134.583%0.83473%0.729SS**THydrogen-bonded Turntrans-76.45173.5-97.5-7.5000114
314R46.1Very low47.5Very low218 Ų218137 Ų13782%0.82374%0.743SS**THydrogen-bonded Turntrans-126.913.2-171.5-144.7-175170.2155.1-1.2117.9S312S312-R314 PolarHBondContact O-N 3Å
315K37.9Very low45.9Very low205 Ų205140 Ų14089%0.89176%0.76SS**  trans-167.297.2164.7-111.5155-174.8-171.60113
316G34.7Very low44.2Very low78 Ų78143.2 Ų143.280%0.80477%0.774SS**  trans-79141.2158.300000111.3
317G32.7Very low42.8Very low82 Ų82142.2 Ų142.285%0.84578%0.78SS**  trans74.6109.9143.900000119.3
318S33.8Very low41.3Very low119 Ų119136.7 Ų136.783%0.83278%0.779SS**  -170.5133.9119.1-174.20000111.6
319Y32.2Very low40.2Very low219 Ų219136.6 Ų136.686%0.85979%0.787SS**  trans-55.3156.7163-74.4-107.2000110.3
320S33.1Very low39.1Very low106 Ų106130 Ų13074%0.74178%0.78SS**  -175.7139.753.1380000113.4
321Q32.8Very low38.5Very low192 Ų192126.4 Ų126.490%0.89778%0.777SS**  51.1133.6128.1-149169400125.1
322A31.4Very low37.9Very low97 Ų97129.7 Ų129.780%0.80279%0.789SS**  trans73142.3156.800000118.1
323A33.1Very low37.2Very low92 Ų92130.8 Ų130.876%0.7679%0.792SS**  cis-151.4141.621.400000110.2
324S32.4Very low36.8Very low110 Ų110128 Ų12877%0.76979%0.785SS**  59.4105.3106-173.10000116.4
325S37.7Very low36.5Very low120 Ų120124.3 Ų124.384%0.83978%0.781SS**  -159.8140.3129.2560000111.3
326D35.6Very low36.5Very low148 Ų148120.1 Ų120.179%0.79177%0.773SS**  trans-75178.6-164.1-72.8-57.1000116.7
327S43.5Very low36.7Very low110 Ų110120.4 Ų120.477%0.76977%0.767SS**  trans97.698.3159.368.20000114.2
328A38.2Very low36.8Very low91 Ų91122 Ų12275%0.75277%0.765SS**  51120.854.200000109.8
329Q41.8Very low37Very low195 Ų195125.6 Ų125.691%0.91177%0.765SS**  cis-149159.730.3-73.8156.7-5900106
330G35.8Very low37.4Very low57 Ų57125.4 Ų125.459%0.58879%0.786SS**  cis150.9144.118.900000106.4
331S42.8Very low37.7Very low106 Ų106126.4 Ų126.474%0.74179%0.788SS**  trans58.5138.5142.212.70000118.5
332D41.7Very low37.9Very low139 Ų139122.9 Ų122.974%0.74378%0.783SS**  cis-164.9136.28.3-103.9-30.5000105.6
333V37.6Very low38.3Very low106 Ų106124.3 Ų124.364%0.64278%0.782SS**  5793.792.1178.50000110.2
334S38.2Very low38.6Very low98 Ų98126.2 Ų126.269%0.68578%0.783SS**  58.212987.6-51.20000112.8
335L39.3Very low39Very low141 Ų141127.3 Ų127.374%0.73878%0.784SS**  160.3135.8108.8-93.1165.3000112.7
336T38Very low39Very low116 Ų116127.7 Ų127.771%0.71278%0.78SS**  trans57.4121.8144.138.60000119.6
337A38.2Very low39.3Very low84 Ų84126.3 Ų126.369%0.69478%0.779SS**  64.4112.975.200000113.7
338C36Very low39Very low117 Ų117127.5 Ų127.579%0.79178%0.78SS**  158.3126.4107.5-100.40000110.9
339K37.8Very low39Very low194 Ų194130.6 Ų130.684%0.84378%0.782SS**  53.9112.5120.8-145.4177.3-167.71780118.3
340V41.3Very low38.8Very low214 Ų214124.7 Ų124.7100%1.29777%0.77SS**  -140.80106.11760000107.7

Retrieved 340 of 340 residues in 1467.7 ms (Link to these results)

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