A0A060VHG3_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VHG3, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 337 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
1S94.5Very high98.2Very high94 Ų9437.4 Ų37.466%0.65720%0.199SC*.  0157.1038.30000107.2V102S1-V102 WeakPolarHBondContact CB-O 3.49Å
2H97.9Very high98.1Very high41 Ų4135.7 Ų35.719%0.1919%0.192CC..EExtended strand (participates in β ladder)trans-131.4159.8-171.8-62-73.3000111.7D28 D101 V102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.29Å; H2-D28 WeakPolarHBondContact CA-OD1 3.49Å; H2-D28 IonicContact CE1-OD2 3.46Å; H2-D28 IonicContact CG-OD2 3.62Å; H2-D28 IonicContact ND1-OD2 3.52Å; H2-D28 PolarHBondContact ND1-OD2 2.82Å; H2-D101 CarbonylContact O-C 3.54Å; H2-D101 WeakPolarHBondContact O-CA 3.36Å; H2-V102 HydrophobicContact CB-CG2 4.08Å; H2-V102 PolarHBondContact N-O 3.15Å; H2-V102 VanDerWaalsContact N-O 3.09Å; H2-V102 PolarHBondContact O-N 3.47Å; H2-L167 HydrophobicContact CB-CD1 4.34Å; H2-L171 HydrophobicContact CB-CD1 3.69Å; H2-L171 HydrophobicContact CB-CD2 3.92Å; H2-L171 HydrophobicContact CB-CG 4.39Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å
3S98.4Very high97.9Very high27 Ų2738.5 Ų38.519%0.18920%0.199CC..EExtended strand (participates in β ladder)trans-138.7145.3-178.760.50000110.6V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.55Å; S3-V27 WeakPolarHBondContact O-CA 3.49Å; S3-D28 PolarHBondContact N-OD1 3.14Å; S3-D28 PolarHBondContact O-N 3.37Å; S3-D28 PolarHBondContact OG-OD1 2.82Å; S3-C100 WeakPolarHBondContact CA-O 3.34Å; S3-D101 VanDerWaalsContact CB-OD1 3.29Å; S3-D101 WeakPolarHBondContact CB-OD1 3.27Å
4M98.8Very high97.5Very high1 Ų139.6 Ų39.61%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-120.9124.4165.9-177.2172.16500108Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.35Å; M4-Y6 HydrophobicContact CG-CE2 4.24Å; M4-Y6 HydrophobicContact SD-CE2 4.13Å; M4-Y26 WeakPolarHBondContact CA-O 3.46Å; M4-V27 HydrophobicContact CG-CG2 4.34Å; M4-F32 HydrophobicContact CG-CE1 4.35Å; M4-F32 HydrophobicContact CG-CZ 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.19Å; M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.31Å; M4-C100 PolarHBondContact N-O 3.31Å; M4-C100 PolarHBondContact O-N 2.93Å; M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 VanDerWaalsContact CE-O 3.23Å; M4-C163 WeakPolarHBondContact CE-O 3.45Å; M4-C163 WeakPolarHBondContact CE-SG 3.16Å; M4-W166 HydrophobicContact CE-CB 4.17Å; M4-L167 HydrophobicContact CB-CB 4Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.06Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.45Å; M4-L167 HydrophobicContact SD-CB 4.49Å; M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.47Å; M4-Y170 WeakPolarHBondContact SD-CE2 3.45Å
5R98.7Very high97.1Very high51 Ų5143 Ų4319%0.19226%0.258CS..EExtended strand (participates in β ladder)trans-131.5135.6-178.1-56.6-61-175.4809110.5F7 Y26 Y98 D101 H112R5-F7 HydrophobicContact CB-CD2 4.4Å; R5-F7 HydrophobicContact CB-CE2 3.64Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; R5-Y26 PolarHBondContact N-O 2.89Å; R5-Y26 PolarHBondContact O-N 3.15Å; R5-Y98 WeakPolarHBondContact CA-O 3.33Å; R5-D101 IonicContact CZ-OD1 3.67Å; R5-D101 IonicContact NE-OD1 3.84Å; R5-D101 PolarHBondContact NE-OD1 3.11Å; R5-D101 VanDerWaalsContact NE-OD1 3.08Å; R5-D101 VanDerWaalsContact NH2-CG 3.33Å; R5-D101 IonicContact NH2-OD1 2.7Å; R5-D101 PolarHBondContact NH2-OD1 3.17Å; R5-D101 IonicContact NH2-OD2 3.43Å; R5-D101 PolarHBondContact NH2-OD2 3.41Å; R5-D101 VanDerWaalsContact NH2-OD2 3.13Å; R5-H112 PolarHBondContact NH2-NE2 2.98Å; R5-H112 VanDerWaalsContact NH2-NE2 3.13Å
6Y98.8Very high96.8Very high14 Ų1453.3 Ų53.36%0.05529%0.29CS..EExtended strand (participates in β ladder)trans-108139.2166.1-72.7-93.6000108.9M4 V24 F32 V33 F66 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.35Å; M4-Y6 HydrophobicContact CG-CE2 4.24Å; M4-Y6 HydrophobicContact SD-CE2 4.13Å; Y6-V24 WeakPolarHBondContact CA-O 3.46Å; Y6-F32 HydrophobicContact CE1-CZ 4.3Å; Y6-F32 HydrophobicContact CE2-CZ 4.35Å; Y6-F32 AromaticContact CZ-CZ 3.78Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.45Å; Y6-V33 HydrophobicContact CE1-CG2 3.87Å; Y6-F66 HydrophobicContact CD1-CZ 4.12Å; Y6-F66 AromaticContact CE1-CZ 3.98Å; Y6-F66 HydrophobicContact CE1-CZ 3.98Å; Y6-M97 WeakPolarHBondContact O-CA 3.38Å; Y6-Y98 HydrophobicContact CD2-CD2 4.42Å; Y6-Y98 AromaticContact CD2-CE2 3.72Å; Y6-Y98 HydrophobicContact CD2-CE2 3.72Å; Y6-Y98 AromaticContact CG-CE2 3.9Å; Y6-Y98 HydrophobicContact CG-CE2 3.9Å; Y6-Y98 AromaticContact CG-CZ 3.79Å; Y6-Y98 PolarHBondContact N-O 3.01Å; Y6-Y98 PolarHBondContact O-N 3.35Å; Y6-Y98 VanDerWaalsContact O-N 3.15Å
7F98.8Very high96.5Very high86 Ų8653.4 Ų53.438%0.37731%0.307SS..EExtended strand (participates in β ladder)trans-123.3111.1176.2-57.4-96.1000108.5R5 S23 V24 Y26 S96 M97R5-F7 HydrophobicContact CB-CD2 4.4Å; R5-F7 HydrophobicContact CB-CE2 3.64Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; F7-S23 WeakPolarHBondContact O-CA 3.32Å; F7-V24 HydrophobicContact CB-CG2 3.95Å; F7-V24 HydrophobicContact CD2-CG2 4.4Å; F7-V24 PolarHBondContact N-O 2.97Å; F7-V24 PolarHBondContact O-N 2.93Å; F7-Y26 HydrophobicContact CD2-CD2 4.14Å; F7-Y26 HydrophobicContact CE2-CD2 4.17Å; F7-S96 WeakPolarHBondContact CA-O 3.4Å; F7-M97 HydrophobicContact CD1-CB 4.04Å; F7-M97 HydrophobicContact CD1-CG 3.59Å; F7-M97 HydrophobicContact CE1-CB 4.25Å; F7-M97 HydrophobicContact CE1-CG 3.4Å; F7-M97 HydrophobicContact CG-CG 4.42Å; F7-M97 HydrophobicContact CZ-CG 4.08Å
8D98.7Very high96.4Very high3 Ų355.7 Ų55.72%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-101.1145.6176-62.4-7.6000109.5F21 I22 S23 N69 Q95 S96D8-F21 HydrophobicContact CB-CE2 3.77Å; D8-F21 HydrophobicContact CB-CZ 3.87Å; D8-F21 WeakPolarHBondContact OD2-CZ 3.31Å; D8-I22 CarbonylContact C-O 3.6Å; D8-I22 WeakPolarHBondContact CA-O 3.35Å; D8-S23 WeakPolarHBondContact OD1-CB 3.14Å; D8-S23 PolarHBondContact OD1-OG 3.31Å; D8-N69 PolarHBondContact OD2-ND2 2.92Å; D8-Q95 WeakPolarHBondContact O-CA 3.35Å; D8-S96 WeakPolarHBondContact CB-OG 3.31Å; D8-S96 PolarHBondContact N-O 2.79Å; D8-S96 PolarHBondContact O-N 2.89Å
9T98.8Very high96.4Very high34 Ų3453.9 Ų53.921%0.20931%0.305CS..EExtended strand (participates in β ladder)trans-145115.3176.8-63.80000110.4M11 F21 I22 T93 L94 Q95T9-M11 HydrophobicContact CG2-CE 4.11Å; T9-M11 HydrophobicContact CG2-CG 4.04Å; T9-M11 HydrophobicContact CG2-SD 4.27Å; T9-F21 WeakPolarHBondContact O-CA 3.39Å; T9-I22 PolarHBondContact N-O 3.24Å; T9-I22 PolarHBondContact O-N 3.2Å; T9-T93 HydrophobicContact CG2-CG2 3.93Å; T9-L94 WeakPolarHBondContact CA-O 3.4Å; T9-Q95 HydrophobicContact CG2-CG 4.15Å
10A98.5Very high96.5Very high1 Ų155.2 Ų55.21%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-108.2119.8175.900000110.7R20 F21 D73 L77 T93 L94A10-R20 CarbonylContact C-O 3.58Å; A10-R20 WeakPolarHBondContact CA-O 3.24Å; A10-F21 HydrophobicContact CB-CD2 4.26Å; A10-D73 HydrophobicContact CB-CB 3.62Å; A10-L77 HydrophobicContact CB-CD1 3.88Å; A10-T93 WeakPolarHBondContact O-CA 3.36Å; A10-L94 HydrophobicContact CB-CB 4.45Å; A10-L94 PolarHBondContact N-O 2.91Å; A10-L94 PolarHBondContact O-N 2.46Å
11M98.3Very high96.6Very high59 Ų5952.7 Ų52.729%0.29129%0.291SS..EExtended strand (participates in β ladder)trans-115.2114.5-177-65.7158.9-78.100110.3T9 P19 R20 I22 T93T9-M11 HydrophobicContact CG2-CE 4.11Å; T9-M11 HydrophobicContact CG2-CG 4.04Å; T9-M11 HydrophobicContact CG2-SD 4.27Å; M11-P19 CarbonylContact O-C 3.51Å; M11-P19 WeakPolarHBondContact O-CA 3.49Å; M11-R20 HydrophobicContact CE-CB 4.45Å; M11-R20 HydrophobicContact CE-CG 4.43Å; M11-R20 PolarHBondContact N-O 3.23Å; M11-R20 PolarHBondContact O-N 3.4Å; M11-I22 HydrophobicContact CE-CD1 3.86Å; M11-I22 HydrophobicContact CE-CG1 4.21Å; M11-T93 HydrophobicContact CG-CG2 4.05Å
12S97.5Very high96.8Very high17 Ų1750 Ų5012%0.11927%0.269CS..  trans-70.8142.5173.986.80000110.7S91 H92S12-S91 PolarHBondContact O-OG 3.43Å; S12-H92 PolarHBondContact N-O 2.5Å; S12-H92 PolarHBondContact OG-N 3.46Å; S12-H92 PolarHBondContact OG-O 3.32Å
13R95.6Very high96.9Very high73 Ų7348 Ų4828%0.27526%0.26SS..  trans-136.572.4-178.153.9172.7173.4-155.9-16.4111.9G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.95Å; R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 WeakPolarHBondContact CD-O 3.32Å; R13-R16 HydrophobicContact CG-CB 4.24Å; R13-R16 PolarHBondContact NE-O 2.9Å; R13-R16 PolarHBondContact O-N 3Å; R13-E18 VanDerWaalsContact CZ-O 3.25Å; R13-E18 PolarHBondContact NE-O 2.79Å; R13-E18 PolarHBondContact NH2-O 2.66Å; R13-D38 IonicContact CZ-OD1 3.92Å; R13-D38 IonicContact CZ-OD2 3.34Å; R13-D38 IonicContact NH1-OD1 2.67Å; R13-D38 PolarHBondContact NH1-OD1 3.44Å; R13-D38 IonicContact NH1-OD2 2.87Å; R13-D38 PolarHBondContact NH1-OD2 3.38Å; R13-D38 IonicContact NH2-OD1 3.14Å; R13-D38 PolarHBondContact NH2-OD1 2.9Å; R13-D38 IonicContact NH2-OD2 3.08Å
14P92.1Very high96.9Very high53 Ų5348.3 Ų48.334%0.34426%0.26SS..THydrogen-bonded Turntrans-48.9131.9-176.9-27.834.8000113R16 E88 G90P14-R16 PolarHBondContact O-N 2.65Å; P14-E88 WeakPolarHBondContact CB-O 3.39Å; P14-E88 VanDerWaalsContact CG-O 3.26Å; P14-E88 WeakPolarHBondContact CG-O 3.13Å; P14-G90 WeakPolarHBondContact CG-O 3.29Å
15G91.1Very high96.9Very high91 Ų9148.2 Ų48.294%0.93826%0.26SS*.THydrogen-bonded Turntrans71.73.2-177.200000115.9R13R13-G15 PolarHBondContact O-N 2.95Å
16R93.1Very high96.9Very high207 Ų20749.3 Ų49.378%0.78127%0.265SS*.SBendtrans-124.721.9-180-58.6-175.6-178.71781.2113.8R13 P14R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 WeakPolarHBondContact CD-O 3.32Å; R13-R16 HydrophobicContact CG-CB 4.24Å; R13-R16 PolarHBondContact NE-O 2.9Å; R13-R16 PolarHBondContact O-N 3Å; P14-R16 PolarHBondContact O-N 2.65Å
17G91.6Very high96.9Very high56 Ų5648.6 Ų48.658%0.57726%0.262SS*.SBendtrans100.3-165.818000000113.6
18E94.7Very high96.8Very high95 Ų9546 Ų4644%0.44425%0.252SS..SBendtrans-72156.7-179.3-63.7-58.8169.500112.4R13 R20 R74 R78R13-E18 VanDerWaalsContact CZ-O 3.25Å; R13-E18 PolarHBondContact NE-O 2.79Å; R13-E18 PolarHBondContact NH2-O 2.66Å; E18-R20 PolarHBondContact O-N 2.86Å; E18-R74 VanDerWaalsContact CD-CZ 3.46Å; E18-R74 VanDerWaalsContact CD-NE 3.28Å; E18-R74 IonicContact OE1-CZ 3.74Å; E18-R74 IonicContact OE1-NE 3.67Å; E18-R74 IonicContact OE1-NH2 3.7Å; E18-R74 PolarHBondContact OE1-NH2 2.91Å; E18-R74 IonicContact OE2-CZ 2.74Å; E18-R74 VanDerWaalsContact OE2-CZ 3.29Å; E18-R74 IonicContact OE2-NE 2.73Å; E18-R74 PolarHBondContact OE2-NE 3.26Å; E18-R74 IonicContact OE2-NH2 3.13Å; E18-R74 PolarHBondContact OE2-NH2 2.89Å; E18-R78 IonicContact OE2-NH2 3.09Å
19P96.5Very high96.7Very high21 Ų2148.7 Ų48.714%0.13627%0.266CS..PPolyproline II helixtrans-50.7136.1175.6-26.235000112.2M11 R74 L77M11-P19 CarbonylContact O-C 3.51Å; M11-P19 WeakPolarHBondContact O-CA 3.49Å; P19-R74 HydrophobicContact CG-CB 4.35Å; P19-R74 HydrophobicContact CG-CG 4.18Å; P19-L77 HydrophobicContact CB-CD1 3.69Å; P19-L77 HydrophobicContact CG-CD1 3.87Å
20R98.1Very high96.6Very high80 Ų8047.8 Ų47.830%0.30226%0.261SS..EExtended strand (participates in β ladder)trans-81.9127.9172.9-177.8-176.3-175.1-179.20.5108.6A10 M11 E18 I22 D36 S37 D38A10-R20 CarbonylContact C-O 3.58Å; A10-R20 WeakPolarHBondContact CA-O 3.24Å; M11-R20 HydrophobicContact CE-CB 4.45Å; M11-R20 HydrophobicContact CE-CG 4.43Å; M11-R20 PolarHBondContact N-O 3.23Å; M11-R20 PolarHBondContact O-N 3.4Å; E18-R20 PolarHBondContact O-N 2.86Å; R20-I22 HydrophobicContact CG-CG1 4.3Å; R20-D36 IonicContact CZ-OD1 3.62Å; R20-D36 IonicContact CZ-OD2 2.72Å; R20-D36 IonicContact NE-OD1 2.69Å; R20-D36 PolarHBondContact NE-OD1 2.93Å; R20-D36 IonicContact NE-OD2 3.35Å; R20-D36 VanDerWaalsContact NH2-CG 3.34Å; R20-D36 IonicContact NH2-OD1 3.56Å; R20-D36 PolarHBondContact NH2-OD1 3.49Å; R20-D36 IonicContact NH2-OD2 3.46Å; R20-D36 PolarHBondContact NH2-OD2 3.46Å; R20-S37 WeakPolarHBondContact CA-OG 3.44Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.28Å; R20-D38 HydrophobicContact CG-CB 4.33Å; R20-D38 IonicContact NE-OD2 3.91Å
21F98.6Very high96.6Very high2 Ų250.3 Ų50.31%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-109.3130.4174.7176.4-87000109.6D8 T9 A10 F35 S37 F66 N69 T70 D73D8-F21 HydrophobicContact CB-CE2 3.77Å; D8-F21 HydrophobicContact CB-CZ 3.87Å; D8-F21 WeakPolarHBondContact OD2-CZ 3.31Å; T9-F21 WeakPolarHBondContact O-CA 3.39Å; A10-F21 HydrophobicContact CB-CD2 4.26Å; F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.87Å; F21-F35 HydrophobicContact CD1-CE1 3.87Å; F21-F35 AromaticContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CE1 4.33Å; F21-S37 PolarHBondContact N-OG 3.43Å; F21-S37 PolarHBondContact O-N 2.91Å; F21-S37 PolarHBondContact O-OG 2.7Å; F21-F66 HydrophobicContact CE1-CB 4.19Å; F21-F66 HydrophobicContact CE1-CD1 4.05Å; F21-F66 HydrophobicContact CZ-CD1 4.26Å; F21-N69 HydrophobicContact CE1-CB 4.48Å; F21-N69 HydrophobicContact CE2-CB 3.89Å; F21-N69 HydrophobicContact CZ-CB 3.69Å; F21-T70 HydrophobicContact CB-CG2 3.89Å; F21-T70 VanDerWaalsContact CD1-OG1 3.27Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.42Å; F21-T70 WeakPolarHBondContact CG-OG1 3.36Å; F21-D73 HydrophobicContact CD2-CB 4.35Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.31Å
22I98.8Very high96.6Very high38 Ų3847.5 Ų47.520%0.19526%0.258CS..EExtended strand (participates in β ladder)trans-125.8136173.3-56.3177.9000107.1D8 T9 M11 R20 V24 F35D8-I22 CarbonylContact C-O 3.6Å; D8-I22 WeakPolarHBondContact CA-O 3.35Å; T9-I22 PolarHBondContact N-O 3.24Å; T9-I22 PolarHBondContact O-N 3.2Å; M11-I22 HydrophobicContact CE-CD1 3.86Å; M11-I22 HydrophobicContact CE-CG1 4.21Å; R20-I22 HydrophobicContact CG-CG1 4.3Å; I22-V24 HydrophobicContact CG2-CG1 4.48Å; I22-F35 WeakPolarHBondContact CA-O 3.27Å
23S98.8Very high96.7Very high0 Ų046.7 Ų46.70%025%0.253CS..EExtended strand (participates in β ladder)trans-124.5142.9167.7-176.80000110F7 D8 R34 F35 F66F7-S23 WeakPolarHBondContact O-CA 3.32Å; D8-S23 WeakPolarHBondContact OD1-CB 3.14Å; D8-S23 PolarHBondContact OD1-OG 3.31Å; S23-R34 CarbonylContact O-C 3.6Å; S23-R34 WeakPolarHBondContact O-CA 3.37Å; S23-F35 PolarHBondContact N-O 3.01Å; S23-F35 PolarHBondContact O-N 3.06Å; S23-F66 WeakPolarHBondContact OG-CE1 3.45Å
24V98.8Very high96.8Very high32 Ų3247.2 Ų47.219%0.19426%0.255CS..EExtended strand (participates in β ladder)trans-134.4132.7171.3-64.70000110.4Y6 F7 I22 Y26 Q31 R34Y6-V24 WeakPolarHBondContact CA-O 3.46Å; F7-V24 HydrophobicContact CB-CG2 3.95Å; F7-V24 HydrophobicContact CD2-CG2 4.4Å; F7-V24 PolarHBondContact N-O 2.97Å; F7-V24 PolarHBondContact O-N 2.93Å; I22-V24 HydrophobicContact CG2-CG1 4.48Å; V24-Y26 HydrophobicContact CB-CE2 4.07Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; V24-R34 HydrophobicContact CG1-CB 4.44Å; V24-R34 HydrophobicContact CG1-CG 4.24Å
25G98.7Very high97.1Very high0 Ų044.8 Ų44.80%024%0.239CC..EExtended strand (participates in β ladder)trans-107.4135.617700000111.4Q31 F32 V33G25-Q31 WeakPolarHBondContact O-CA 3.49Å; G25-Q31 WeakPolarHBondContact O-CG 3.36Å; G25-F32 WeakPolarHBondContact O-CD1 3.21Å; G25-F32 PolarHBondContact O-N 2.84Å; G25-V33 PolarHBondContact N-O 3.23Å; G25-V33 VanDerWaalsContact N-O 3.1Å; G25-V33 PolarHBondContact O-N 2.82Å
26Y98.7Very high97.5Very high73 Ų7341 Ų4129%0.28620%0.197SC..EExtended strand (participates in β ladder)trans-124.9141.1179.5-79.9-102.9000111.2M4 R5 F7 V24 T30 Q31M4-Y26 WeakPolarHBondContact CA-O 3.46Å; R5-Y26 PolarHBondContact N-O 2.89Å; R5-Y26 PolarHBondContact O-N 3.15Å; F7-Y26 HydrophobicContact CD2-CD2 4.14Å; F7-Y26 HydrophobicContact CE2-CD2 4.17Å; V24-Y26 HydrophobicContact CB-CE2 4.07Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; Y26-T30 WeakPolarHBondContact CA-O 3.37Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 HydrophobicContact CD2-CB 4.42Å; Y26-Q31 HydrophobicContact CD2-CG 4.25Å; Y26-Q31 HydrophobicContact CE1-CB 3.65Å; Y26-Q31 HydrophobicContact CE1-CG 4.4Å; Y26-Q31 HydrophobicContact CE2-CB 3.99Å; Y26-Q31 HydrophobicContact CE2-CG 3.81Å; Y26-Q31 HydrophobicContact CG-CB 4.46Å
27V98.6Very high97.7Very high0 Ų032.5 Ų32.50%017%0.169CC..EExtended strand (participates in β ladder)trans-111.5116.1157.5177.50000106.7S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.55Å; S3-V27 WeakPolarHBondContact O-CA 3.49Å; M4-V27 HydrophobicContact CG-CG2 4.34Å; V27-D29 PolarHBondContact O-N 2.8Å; V27-T30 PolarHBondContact N-O 2.82Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 3.37Å; V27-F32 HydrophobicContact CG2-CD1 3.94Å; V27-F32 HydrophobicContact CG2-CE1 3.93Å; V27-W50 HydrophobicContact CB-CH2 4.36Å; V27-W50 HydrophobicContact CB-CZ2 4.44Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.26Å; V27-Y170 HydrophobicContact CG2-CD2 3.84Å; V27-Y170 HydrophobicContact CG2-CG 4.44Å; V27-L171 HydrophobicContact CG1-CD2 4.12Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.23Å; V27-L178 HydrophobicContact CG1-CD1 3.9Å; V27-L178 HydrophobicContact CG1-CD2 4.14Å
28D97.4Very high98Very high31 Ų3133.1 Ų33.117%0.16616%0.159CC..THydrogen-bonded Turntrans45.4-132.6-164.6-54.6-44.6000110.4H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.29Å; H2-D28 WeakPolarHBondContact CA-OD1 3.49Å; H2-D28 IonicContact CE1-OD2 3.46Å; H2-D28 IonicContact CG-OD2 3.62Å; H2-D28 IonicContact ND1-OD2 3.52Å; H2-D28 PolarHBondContact ND1-OD2 2.82Å; S3-D28 PolarHBondContact N-OD1 3.14Å; S3-D28 PolarHBondContact O-N 3.37Å; S3-D28 PolarHBondContact OG-OD1 2.82Å; D28-T30 PolarHBondContact O-N 3.02Å
29D97Very high98.1Very high60 Ų6030.2 Ų30.232%0.32115%0.152SC..THydrogen-bonded Turntrans-80.710.5178.2-59.3-59.6000114.7V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.8Å; D29-Y208 HydrophobicContact CB-CE2 3.77Å; D29-P209 WeakPolarHBondContact OD2-CB 3.12Å; D29-A210 HydrophobicContact CB-CB 4.33Å; D29-A210 VanDerWaalsContact CG-CB 3.49Å; D29-A210 WeakPolarHBondContact OD2-CB 3.47Å; D29-A210 PolarHBondContact OD2-N 2.85Å; D29-F240 HydrophobicContact CB-CE2 3.71Å; D29-F240 HydrophobicContact CB-CZ 3.75Å
30T97.3Very high98.1Very high14 Ų1434.8 Ų34.89%0.08619%0.191CC..EExtended strand (participates in β ladder)trans-107.2112.3-177.8-58.30000111.5Y26 V27 D28 F32 L178 Y208 R238Y26-T30 WeakPolarHBondContact CA-O 3.37Å; V27-T30 PolarHBondContact N-O 2.82Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 3.37Å; D28-T30 PolarHBondContact O-N 3.02Å; T30-F32 PolarHBondContact O-N 2.84Å; T30-L178 HydrophobicContact CG2-CD2 4.15Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.15Å; T30-Y208 PolarHBondContact OG1-OH 3.3Å; T30-R238 PolarHBondContact OG1-NE 3.01Å
31Q97.9Very high98.1Very high54 Ų5434.4 Ų34.425%0.25220%0.201SC..EExtended strand (participates in β ladder)trans-66.3131171.4-166.4-178.4-0.900110.3V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; G25-Q31 WeakPolarHBondContact O-CA 3.49Å; G25-Q31 WeakPolarHBondContact O-CG 3.36Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 HydrophobicContact CD2-CB 4.42Å; Y26-Q31 HydrophobicContact CD2-CG 4.25Å; Y26-Q31 HydrophobicContact CE1-CB 3.65Å; Y26-Q31 HydrophobicContact CE1-CG 4.4Å; Y26-Q31 HydrophobicContact CE2-CB 3.99Å; Y26-Q31 HydrophobicContact CE2-CG 3.81Å; Y26-Q31 HydrophobicContact CG-CB 4.46Å; Q31-V33 PolarHBondContact NE2-O 3.44Å; Q31-R47 HydrophobicContact CG-CB 4.16Å; Q31-R47 HydrophobicContact CG-CG 4.42Å
32F98.3Very high98Very high0 Ų036 Ų360%021%0.212CC..EExtended strand (participates in β ladder)trans-119.6-24.2179.474.6-82.5000114.4M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.35Å; M4-F32 HydrophobicContact CG-CZ 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.19Å; Y6-F32 HydrophobicContact CE1-CZ 4.3Å; Y6-F32 HydrophobicContact CE2-CZ 4.35Å; Y6-F32 AromaticContact CZ-CZ 3.78Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.45Å; G25-F32 WeakPolarHBondContact O-CD1 3.21Å; G25-F32 PolarHBondContact O-N 2.84Å; V27-F32 HydrophobicContact CG2-CD1 3.94Å; V27-F32 HydrophobicContact CG2-CE1 3.93Å; T30-F32 PolarHBondContact O-N 2.84Å; F32-R47 PolarHBondContact O-N 2.98Å; F32-A48 HydrophobicContact CB-CB 4.14Å; F32-W50 HydrophobicContact CB-CH2 3.18Å; F32-W50 HydrophobicContact CB-CZ2 3.42Å; F32-W50 VanDerWaalsContact CB-CZ2 3.42Å; F32-W50 HydrophobicContact CB-CZ3 3.94Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CZ3 4.05Å; F32-W50 AromaticContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CH2 3.44Å; F32-W50 VanDerWaalsContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CZ2 4.14Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; F32-I51 HydrophobicContact CD2-CB 4.43Å; F32-I51 HydrophobicContact CD2-CD1 3.99Å; F32-I51 HydrophobicContact CD2-CG1 4.08Å; F32-I51 HydrophobicContact CE2-CD1 4.31Å; F32-I51 VanDerWaalsContact O-CG2 3.31Å; F32-I51 WeakPolarHBondContact O-CG2 3.33Å; F32-Y170 HydrophobicContact CD2-CE2 4.28Å; F32-Y170 HydrophobicContact CE1-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.09Å; F32-Y170 AromaticContact CE2-CE2 3.44Å; F32-Y170 HydrophobicContact CE2-CE2 3.44Å; F32-Y170 VanDerWaalsContact CE2-CE2 3.44Å; F32-Y170 AromaticContact CE2-CZ 3.8Å; F32-Y170 HydrophobicContact CZ-CD2 4.13Å; F32-Y170 AromaticContact CZ-CE2 3.57Å; F32-Y170 HydrophobicContact CZ-CE2 3.57Å
33V98.6Very high98Very high1 Ų140.6 Ų40.61%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-140.7159.4177.1-72.30000113.3Y6 G25 Q31 E44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.87Å; G25-V33 PolarHBondContact N-O 3.23Å; G25-V33 VanDerWaalsContact N-O 3.1Å; G25-V33 PolarHBondContact O-N 2.82Å; Q31-V33 PolarHBondContact NE2-O 3.44Å; V33-E44 HydrophobicContact CB-CG 3.9Å; V33-E44 WeakPolarHBondContact CB-OE1 3.19Å; V33-E44 HydrophobicContact CG1-CG 3.97Å; V33-E44 WeakPolarHBondContact CG1-OE1 3.32Å; V33-E44 WeakPolarHBondContact CG2-OE1 3.35Å; V33-E45 WeakPolarHBondContact CA-O 3.41Å; V33-I51 HydrophobicContact CG1-CG1 4.36Å; V33-W59 HydrophobicContact CG1-CH2 4.14Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å
34R98.6Very high97.9Very high84 Ų8441 Ų4132%0.31723%0.228SC..EExtended strand (participates in β ladder)trans-144.5145.4170.4177.4174.6169.7-179.3-5.2111.2S23 V24 D36 E44 E45 R47S23-R34 CarbonylContact O-C 3.6Å; S23-R34 WeakPolarHBondContact O-CA 3.37Å; V24-R34 HydrophobicContact CG1-CB 4.44Å; V24-R34 HydrophobicContact CG1-CG 4.24Å; R34-D36 IonicContact CZ-OD2 3.19Å; R34-D36 IonicContact NE-OD2 2.92Å; R34-D36 IonicContact NH2-OD2 3.4Å; R34-D36 PolarHBondContact NH2-OD2 2.93Å; R34-E44 CarbonylContact O-C 3.57Å; R34-E44 WeakPolarHBondContact O-CA 3.45Å; R34-E45 PolarHBondContact N-O 3.41Å; R34-E45 PolarHBondContact O-N 3Å; R34-R47 HydrophobicContact CB-CG 4.03Å
35F98.8Very high97.9Very high2 Ų242.9 Ų42.91%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-125.6146.7162.1-179.4-84.9000109.7F21 I22 S23 P42 R43 F66 K67F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.87Å; F21-F35 HydrophobicContact CD1-CE1 3.87Å; F21-F35 AromaticContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CE1 4.33Å; I22-F35 WeakPolarHBondContact CA-O 3.27Å; S23-F35 PolarHBondContact N-O 3.01Å; S23-F35 PolarHBondContact O-N 3.06Å; F35-P42 HydrophobicContact CE1-CB 4.46Å; F35-P42 HydrophobicContact CE2-CB 3.97Å; F35-P42 HydrophobicContact CZ-CB 3.68Å; F35-R43 VanDerWaalsContact CD2-C 3.45Å; F35-R43 WeakPolarHBondContact CD2-O 3.21Å; F35-F66 HydrophobicContact CB-CB 4.08Å; F35-F66 HydrophobicContact CB-CD2 3.84Å; F35-F66 HydrophobicContact CB-CE2 4.44Å; F35-F66 HydrophobicContact CB-CG 3.9Å; F35-F66 HydrophobicContact CD1-CB 3.82Å; F35-F66 HydrophobicContact CD1-CG 4.49Å; F35-F66 HydrophobicContact CD2-CB 3.53Å; F35-F66 HydrophobicContact CD2-CD2 4.08Å; F35-F66 HydrophobicContact CD2-CG 4.13Å; F35-F66 HydrophobicContact CE1-CB 4.08Å; F35-F66 HydrophobicContact CE2-CB 3.82Å; F35-F66 HydrophobicContact CG-CB 3.54Å; F35-F66 HydrophobicContact CG-CD2 4.12Å; F35-F66 AromaticContact CG-CG 3.94Å; F35-F66 HydrophobicContact CG-CG 3.94Å; F35-F66 HydrophobicContact CZ-CB 4.08Å; F35-K67 HydrophobicContact CE2-CG 4.28Å; F35-K67 HydrophobicContact CZ-CG 4.05Å
36D98.6Very high97.9Very high12 Ų1245.2 Ų45.26%0.06425%0.25CS..EExtended strand (participates in β ladder)trans-144.8118.8176.2-161.6-31.7000109.9R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.62Å; R20-D36 IonicContact CZ-OD2 2.72Å; R20-D36 IonicContact NE-OD1 2.69Å; R20-D36 PolarHBondContact NE-OD1 2.93Å; R20-D36 IonicContact NE-OD2 3.35Å; R20-D36 VanDerWaalsContact NH2-CG 3.34Å; R20-D36 IonicContact NH2-OD1 3.56Å; R20-D36 PolarHBondContact NH2-OD1 3.49Å; R20-D36 IonicContact NH2-OD2 3.46Å; R20-D36 PolarHBondContact NH2-OD2 3.46Å; R34-D36 IonicContact CZ-OD2 3.19Å; R34-D36 IonicContact NE-OD2 2.92Å; R34-D36 IonicContact NH2-OD2 3.4Å; R34-D36 PolarHBondContact NH2-OD2 2.93Å; D36-D38 PolarHBondContact O-N 3.03Å; D36-D38 PolarHBondContact OD1-N 3.46Å; D36-A39 HydrophobicContact CB-CB 4.48Å; D36-A39 WeakPolarHBondContact O-CB 3.37Å; D36-A39 PolarHBondContact O-N 3.18Å
37S98.1Very high97.9Very high27 Ų2747.2 Ų47.219%0.18926%0.257CS..THydrogen-bonded Turntrans-66.3-21.6-177.370.60000113.6R20 F21 P42R20-S37 WeakPolarHBondContact CA-OG 3.44Å; F21-S37 PolarHBondContact N-OG 3.43Å; F21-S37 PolarHBondContact O-N 2.91Å; F21-S37 PolarHBondContact O-OG 2.7Å; S37-P42 WeakPolarHBondContact O-CG 3.22Å
38D97.4Very high97.8Very high69 Ų6947.5 Ų47.537%0.36926%0.259SS..THydrogen-bonded Turntrans-89.4-1.2179.8-78.19000112.9R13 R20 D36R13-D38 IonicContact CZ-OD1 3.92Å; R13-D38 IonicContact CZ-OD2 3.34Å; R13-D38 IonicContact NH1-OD1 2.67Å; R13-D38 PolarHBondContact NH1-OD1 3.44Å; R13-D38 IonicContact NH1-OD2 2.87Å; R13-D38 PolarHBondContact NH1-OD2 3.38Å; R13-D38 IonicContact NH2-OD1 3.14Å; R13-D38 PolarHBondContact NH2-OD1 2.9Å; R13-D38 IonicContact NH2-OD2 3.08Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.28Å; R20-D38 HydrophobicContact CG-CB 4.33Å; R20-D38 IonicContact NE-OD2 3.91Å; D36-D38 PolarHBondContact O-N 3.03Å; D36-D38 PolarHBondContact OD1-N 3.46Å
39A97.2Very high97.7Very high34 Ų3451.1 Ų51.128%0.28128%0.284SS..SBendtrans-63.1149.4172.400000111.1D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.48Å; D36-A39 WeakPolarHBondContact O-CB 3.37Å; D36-A39 PolarHBondContact O-N 3.18Å; A39-S41 PolarHBondContact O-N 3.04Å; A39-S41 VanDerWaalsContact O-N 3.14Å; A39-P42 VanDerWaalsContact O-CD 3.22Å; A39-P42 WeakPolarHBondContact O-CD 3.34Å; A39-P42 WeakPolarHBondContact O-CG 3.42Å
40A96.8Very high97.7Very high118 Ų11849 Ų4998%0.97527%0.272SS*.SBendtrans-61.4-25.3-179.200000113.7
41S96.4Very high97.8Very high72 Ų7248.4 Ų48.450%0.50327%0.268SS..SBendtrans-139.690.9168161.30000108.5A39 R43A39-S41 PolarHBondContact O-N 3.04Å; A39-S41 VanDerWaalsContact O-N 3.14Å; S41-R43 PolarHBondContact O-N 3.46Å; S41-R43 VanDerWaalsContact O-N 3.15Å
42P97.3Very high97.7Very high36 Ų3651.9 Ų51.923%0.23428%0.284CS..  trans-61.8116.9-176.4-25.336.5000112.3F35 S37 A39 K67F35-P42 HydrophobicContact CE1-CB 4.46Å; F35-P42 HydrophobicContact CE2-CB 3.97Å; F35-P42 HydrophobicContact CZ-CB 3.68Å; S37-P42 WeakPolarHBondContact O-CG 3.22Å; A39-P42 VanDerWaalsContact O-CD 3.22Å; A39-P42 WeakPolarHBondContact O-CD 3.34Å; A39-P42 WeakPolarHBondContact O-CG 3.42Å; P42-K67 WeakPolarHBondContact O-CE 3.37Å; P42-K67 PolarHBondContact O-NZ 2.78Å
43R98.1Very high97.6Very high134 Ų13457.6 Ų57.651%0.50631%0.311SS..  trans-145.7160177.8-65.4-171.5178.7-138.6-5.7109.1F35 S41 T63F35-R43 VanDerWaalsContact CD2-C 3.45Å; F35-R43 WeakPolarHBondContact CD2-O 3.21Å; S41-R43 PolarHBondContact O-N 3.46Å; S41-R43 VanDerWaalsContact O-N 3.15Å; R43-T63 WeakPolarHBondContact CA-OG1 3.33Å; R43-T63 HydrophobicContact CB-CG2 4.32Å; R43-T63 HydrophobicContact CG-CG2 4.16Å
44E98.4Very high97.6Very high8 Ų858.1 Ų58.14%0.03731%0.314CS..  trans-70.2133.6163.6-169.5-174-14000108.5V33 R34 Y58 W59 N62 T63 F66V33-E44 HydrophobicContact CB-CG 3.9Å; V33-E44 WeakPolarHBondContact CB-OE1 3.19Å; V33-E44 HydrophobicContact CG1-CG 3.97Å; V33-E44 WeakPolarHBondContact CG1-OE1 3.32Å; V33-E44 WeakPolarHBondContact CG2-OE1 3.35Å; R34-E44 CarbonylContact O-C 3.57Å; R34-E44 WeakPolarHBondContact O-CA 3.45Å; E44-Y58 WeakPolarHBondContact OE2-CE1 3.37Å; E44-W59 HydrophobicContact CB-CE3 4.15Å; E44-W59 HydrophobicContact CB-CZ3 4.43Å; E44-W59 HydrophobicContact CG-CE3 4.14Å; E44-W59 HydrophobicContact CG-CZ3 3.95Å; E44-N62 WeakPolarHBondContact OE2-CB 3.46Å; E44-N62 PolarHBondContact OE2-ND2 3.02Å; E44-T63 PolarHBondContact N-OG1 3.18Å; E44-F66 HydrophobicContact CB-CD2 4.21Å; E44-F66 HydrophobicContact CB-CE2 4.2Å; E44-F66 HydrophobicContact CG-CD2 4.39Å; E44-F66 HydrophobicContact CG-CE2 3.9Å; E44-F66 WeakPolarHBondContact OE1-CE2 3.47Å
45E98.3Very high97.5Very high72 Ų7255.8 Ų55.834%0.33632%0.316SS..EExtended strand (participates in β ladder)trans-121.3137.7-176.9-62.8176.5148.300110.5V33 R34 R47V33-E45 WeakPolarHBondContact CA-O 3.41Å; R34-E45 PolarHBondContact N-O 3.41Å; R34-E45 PolarHBondContact O-N 3Å; E45-R47 IonicContact OE2-CZ 3.49Å; E45-R47 IonicContact OE2-NH2 2.78Å; E45-R47 PolarHBondContact OE2-NH2 3.28Å
46P98.3Very high97.4Very high49 Ų4960.3 Ų60.332%0.31835%0.345SS..EExtended strand (participates in β ladder)trans-65.3145.9174.928.1-35.3000111.8I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.71Å; P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.1Å; P46-W59 HydrophobicContact CB-CH2 3.68Å; P46-W59 HydrophobicContact CB-CZ2 4.16Å; P46-W59 HydrophobicContact CB-CZ3 4.47Å; P46-W59 HydrophobicContact CG-CH2 4.27Å
47R97.8Very high97.4Very high115 Ų11567.9 Ų67.943%0.43438%0.38SS..  trans-130.9-4.2175.7-58.6-65.2167-174.6-0.4113.8Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.16Å; Q31-R47 HydrophobicContact CG-CG 4.42Å; F32-R47 PolarHBondContact O-N 2.98Å; R34-R47 HydrophobicContact CB-CG 4.03Å; E45-R47 IonicContact OE2-CZ 3.49Å; E45-R47 IonicContact OE2-NH2 2.78Å; E45-R47 PolarHBondContact OE2-NH2 3.28Å
48A96.6Very high97.4Very high5 Ų567 Ų674%0.04137%0.373CS..SBendtrans-134.6143.9171.500000110.8F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.14Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.12Å; A48-W50 PolarHBondContact O-N 3.13Å; A48-W50 VanDerWaalsContact O-N 3.16Å; A48-I51 VanDerWaalsContact O-CG2 3.28Å; A48-I51 WeakPolarHBondContact O-CG2 2.95Å; A48-I51 PolarHBondContact O-N 3.4Å
49P96.8Very high97.4Very high107 Ų10765.7 Ų65.770%0.69536%0.363SS*.G310 helixtrans-59.2-32.3-176.6-26.735.3000114.3I51 E52P49-I51 VanDerWaalsContact C-N 3.29Å; P49-I51 PolarHBondContact O-N 3.44Å; P49-E52 WeakPolarHBondContact O-CB 3.17Å; P49-E52 PolarHBondContact O-N 3.31Å
50W96.8Very high97.5Very high17 Ų1768.2 Ų68.26%0.06437%0.372CS..G310 helixtrans-73.3-13.2-17654.6-108.5000114.7V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.36Å; V27-W50 HydrophobicContact CB-CZ2 4.44Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; F32-W50 HydrophobicContact CB-CH2 3.18Å; F32-W50 HydrophobicContact CB-CZ2 3.42Å; F32-W50 VanDerWaalsContact CB-CZ2 3.42Å; F32-W50 HydrophobicContact CB-CZ3 3.94Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CZ3 4.05Å; F32-W50 AromaticContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CH2 3.44Å; F32-W50 VanDerWaalsContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CZ2 4.14Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.12Å; A48-W50 PolarHBondContact O-N 3.13Å; A48-W50 VanDerWaalsContact O-N 3.16Å; W50-Q53 PolarHBondContact O-NE2 2.94Å; W50-Y170 HydrophobicContact CE3-CD1 4.49Å; W50-Y170 HydrophobicContact CH2-CD2 4.4Å; W50-Y170 HydrophobicContact CH2-CG 4.12Å; W50-Y170 AromaticContact CZ3-CD1 3.78Å; W50-Y170 HydrophobicContact CZ3-CD1 3.78Å; W50-Y170 HydrophobicContact CZ3-CD2 4.23Å; W50-Y170 AromaticContact CZ3-CG 3.61Å; W50-Y170 HydrophobicContact CZ3-CG 3.61Å; W50-N173 WeakPolarHBondContact CB-O 3.44Å; W50-L178 HydrophobicContact CD2-CD1 4.46Å; W50-L178 HydrophobicContact CH2-CD1 4.28Å; W50-L178 HydrophobicContact CZ2-CD1 3.76Å; W50-L178 HydrophobicContact CZ2-CD2 4.06Å; W50-L178 HydrophobicContact CZ2-CG 4.32Å
51I97.9Very high97.5Very high0 Ų068.1 Ų68.10%035%0.346CS..G310 helixtrans-89.3-20171.6-160.873.2000111.9F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.43Å; F32-I51 HydrophobicContact CD2-CD1 3.99Å; F32-I51 HydrophobicContact CD2-CG1 4.08Å; F32-I51 HydrophobicContact CE2-CD1 4.31Å; F32-I51 VanDerWaalsContact O-CG2 3.31Å; F32-I51 WeakPolarHBondContact O-CG2 3.33Å; V33-I51 HydrophobicContact CG1-CG1 4.36Å; P46-I51 HydrophobicContact CB-CG2 3.71Å; A48-I51 VanDerWaalsContact O-CG2 3.28Å; A48-I51 WeakPolarHBondContact O-CG2 2.95Å; A48-I51 PolarHBondContact O-N 3.4Å; P49-I51 VanDerWaalsContact C-N 3.29Å; P49-I51 PolarHBondContact O-N 3.44Å; I51-Q53 PolarHBondContact O-N 3.02Å; I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.11Å; I51-E54 WeakPolarHBondContact O-CB 3.01Å; I51-E54 WeakPolarHBondContact O-CG 3.26Å; I51-E54 PolarHBondContact O-N 3.34Å; I51-Y58 HydrophobicContact CD1-CE1 4.33Å; I51-Y58 HydrophobicContact CG1-CE1 4.21Å; I51-W59 HydrophobicContact CB-CH2 4.44Å; I51-W59 HydrophobicContact CG1-CH2 3.83Å; I51-W59 HydrophobicContact CG1-CZ2 4.09Å; I51-W59 HydrophobicContact CG2-CH2 3.83Å; I51-W59 HydrophobicContact CG2-CZ2 4.3Å; I51-W59 WeakPolarHBondContact O-CZ2 3.22Å; I51-Y170 HydrophobicContact CD1-CD1 3.79Å; I51-Y170 HydrophobicContact CD1-CE1 3.25Å
52E97.1Very high97.6Very high127 Ų12765.3 Ų65.359%0.59333%0.325SS*.THydrogen-bonded Turntrans-62.6-19.8-176.5-63.9-179.4-171.500113.7P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.1Å; P49-E52 WeakPolarHBondContact O-CB 3.17Å; P49-E52 PolarHBondContact O-N 3.31Å; E52-E54 VanDerWaalsContact C-N 3.27Å; E52-E54 PolarHBondContact O-N 3.34Å
53Q96.2Very high97.7Very high121 Ų12163.9 Ų63.957%0.56532%0.316SS*.THydrogen-bonded Turntrans-73.8-11.6174.270.8-172.2-48.100114.4W50 I51 N173W50-Q53 PolarHBondContact O-NE2 2.94Å; I51-Q53 PolarHBondContact O-N 3.02Å; Q53-N173 VanDerWaalsContact NE2-CG 3.34Å
54E97.7Very high97.7Very high12 Ų1262.9 Ų62.96%0.05632%0.317CS..SBendtrans-68.2136.2177.9-67.2-60.2161.600111.5I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.11Å; I51-E54 WeakPolarHBondContact O-CB 3.01Å; I51-E54 WeakPolarHBondContact O-CG 3.26Å; I51-E54 PolarHBondContact O-N 3.34Å; E52-E54 VanDerWaalsContact C-N 3.27Å; E52-E54 PolarHBondContact O-N 3.34Å; E54-Y58 HydrophobicContact CB-CD1 3.73Å; E54-Y58 HydrophobicContact CB-CD2 4.45Å; E54-Y58 HydrophobicContact CB-CE1 4.38Å; E54-Y58 HydrophobicContact CB-CG 3.8Å; E54-Y58 HydrophobicContact CG-CD1 4.24Å; E54-Y58 HydrophobicContact CG-CD2 4.38Å; E54-Y58 HydrophobicContact CG-CG 4.21Å; E54-W59 HydrophobicContact CB-CZ2 4.45Å; E54-W59 PolarHBondContact O-NE1 3.43Å; E54-R169 VanDerWaalsContact CD-NH2 3.31Å; E54-R169 IonicContact OE1-CZ 3.54Å; E54-R169 IonicContact OE1-NE 3.47Å; E54-R169 PolarHBondContact OE1-NE 3.28Å; E54-R169 IonicContact OE1-NH2 2.76Å; E54-R169 PolarHBondContact OE1-NH2 3.02Å; E54-R169 VanDerWaalsContact OE1-NH2 3.1Å; E54-R169 IonicContact OE2-CZ 2.68Å; E54-R169 IonicContact OE2-NE 3.39Å; E54-R169 IonicContact OE2-NH2 3.53Å; E54-R169 PolarHBondContact OE2-NH2 2.95Å; E54-N173 PolarHBondContact OE1-ND2 3.01Å
55G97.1Very high97.6Very high35 Ų3566.1 Ų66.136%0.36133%0.334SS..  trans-69.4165.9-174.600000113.9E57 Y58 W59G55-E57 PolarHBondContact O-N 2.9Å; G55-E57 VanDerWaalsContact O-N 3.11Å; G55-Y58 WeakPolarHBondContact O-CB 3.37Å; G55-Y58 PolarHBondContact O-N 3.06Å; G55-W59 VanDerWaalsContact O-CD1 3.28Å
56P97.6Very high97.6Very high97 Ų9763 Ų6363%0.6332%0.319SS*.Hα-helixtrans-56.7-32.5-177.322.9-34000113.5Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.74Å; P56-W59 PolarHBondContact O-N 3Å; P56-D60 WeakPolarHBondContact O-CB 3.35Å; P56-D60 PolarHBondContact O-N 2.74Å
57E97.8Very high97.6Very high170 Ų17064.5 Ų64.579%0.79432%0.321SS*.Hα-helixtrans-59.8-34.1176.8-62.1-179.4-178.600113.3G55 R61G55-E57 PolarHBondContact O-N 2.9Å; G55-E57 VanDerWaalsContact O-N 3.11Å; E57-R61 WeakPolarHBondContact O-CB 3.3Å; E57-R61 PolarHBondContact O-N 2.91Å; E57-R61 VanDerWaalsContact O-N 3.12Å
58Y97.9Very high97.6Very high9 Ų962.4 Ų62.44%0.03532%0.321CS..Hα-helixtrans-65.1-53.8174.8171.1-89.8000110.3E44 I51 E54 G55 P56 D60 R61 N62 W166 Y170E44-Y58 WeakPolarHBondContact OE2-CE1 3.37Å; I51-Y58 HydrophobicContact CD1-CE1 4.33Å; I51-Y58 HydrophobicContact CG1-CE1 4.21Å; E54-Y58 HydrophobicContact CB-CD1 3.73Å; E54-Y58 HydrophobicContact CB-CD2 4.45Å; E54-Y58 HydrophobicContact CB-CE1 4.38Å; E54-Y58 HydrophobicContact CB-CG 3.8Å; E54-Y58 HydrophobicContact CG-CD1 4.24Å; E54-Y58 HydrophobicContact CG-CD2 4.38Å; E54-Y58 HydrophobicContact CG-CG 4.21Å; G55-Y58 WeakPolarHBondContact O-CB 3.37Å; G55-Y58 PolarHBondContact O-N 3.06Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.74Å; Y58-D60 PolarHBondContact O-N 3.45Å; Y58-R61 PolarHBondContact O-N 3.42Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.49Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.43Å; Y58-N62 WeakPolarHBondContact O-CB 3.48Å; Y58-N62 VanDerWaalsContact O-CG 3.31Å; Y58-N62 PolarHBondContact O-N 2.86Å; Y58-N62 PolarHBondContact O-OD1 2.73Å; Y58-N62 PolarHBondContact OH-ND2 3.21Å; Y58-N62 VanDerWaalsContact OH-ND2 3.12Å; Y58-W166 HydrophobicContact CD2-CE3 4.48Å; Y58-W166 AromaticContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CZ2 4.28Å; Y58-W166 AromaticContact CD2-CZ3 3.67Å; Y58-W166 HydrophobicContact CD2-CZ3 3.67Å; Y58-W166 HydrophobicContact CE2-CE3 4.13Å; Y58-W166 HydrophobicContact CE2-CH2 4.03Å; Y58-W166 AromaticContact CE2-CZ3 3.72Å; Y58-W166 HydrophobicContact CE2-CZ3 3.72Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.48Å; Y58-Y170 PolarHBondContact OH-OH 2.8Å
59W98.4Very high97.6Very high41 Ų4164 Ų6416%0.15533%0.329CS..Hα-helixtrans-63.6-42.4-177-61.4108.5000112.7V33 E44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.14Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å; E44-W59 HydrophobicContact CB-CE3 4.15Å; E44-W59 HydrophobicContact CB-CZ3 4.43Å; E44-W59 HydrophobicContact CG-CE3 4.14Å; E44-W59 HydrophobicContact CG-CZ3 3.95Å; P46-W59 HydrophobicContact CB-CH2 3.68Å; P46-W59 HydrophobicContact CB-CZ2 4.16Å; P46-W59 HydrophobicContact CB-CZ3 4.47Å; P46-W59 HydrophobicContact CG-CH2 4.27Å; I51-W59 HydrophobicContact CB-CH2 4.44Å; I51-W59 HydrophobicContact CG1-CH2 3.83Å; I51-W59 HydrophobicContact CG1-CZ2 4.09Å; I51-W59 HydrophobicContact CG2-CH2 3.83Å; I51-W59 HydrophobicContact CG2-CZ2 4.3Å; I51-W59 WeakPolarHBondContact O-CZ2 3.22Å; E54-W59 HydrophobicContact CB-CZ2 4.45Å; E54-W59 PolarHBondContact O-NE1 3.43Å; G55-W59 VanDerWaalsContact O-CD1 3.28Å; P56-W59 PolarHBondContact O-N 3Å; W59-T63 WeakPolarHBondContact O-CB 3.32Å; W59-T63 PolarHBondContact O-N 2.68Å; W59-T63 PolarHBondContact O-OG1 3.26Å
60D98.3Very high97.6Very high88 Ų8859.9 Ų59.947%0.47130%0.302SS..Hα-helixtrans-68.6-43.1178.5-77.3-25.4000111.4P56 Y58 Q64P56-D60 WeakPolarHBondContact O-CB 3.35Å; P56-D60 PolarHBondContact O-N 2.74Å; Y58-D60 PolarHBondContact O-N 3.45Å; D60-Q64 WeakPolarHBondContact O-CB 3.32Å; D60-Q64 PolarHBondContact O-N 3.31Å
61R97.9Very high97.6Very high116 Ų11663.3 Ų63.344%0.43832%0.318SS..Hα-helixtrans-61-51.9176.8-177.7-170.769.7-168.3-1.6111.3E57 Y58 Q64 I65E57-R61 WeakPolarHBondContact O-CB 3.3Å; E57-R61 PolarHBondContact O-N 2.91Å; E57-R61 VanDerWaalsContact O-N 3.12Å; Y58-R61 PolarHBondContact O-N 3.42Å; R61-Q64 PolarHBondContact O-N 2.81Å; R61-Q64 VanDerWaalsContact O-N 3.15Å; R61-I65 HydrophobicContact CG-CD1 4.29Å; R61-I65 WeakPolarHBondContact O-CG1 3.48Å; R61-I65 PolarHBondContact O-N 3.09Å
62N97.7Very high97.6Very high13 Ų1366.7 Ų66.77%0.0734%0.339CS..Hα-helixtrans-69.5-38-177.2-67.22.5000111.9E44 Y58 Q64 I65 F66E44-N62 WeakPolarHBondContact OE2-CB 3.46Å; E44-N62 PolarHBondContact OE2-ND2 3.02Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.49Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.43Å; Y58-N62 WeakPolarHBondContact O-CB 3.48Å; Y58-N62 VanDerWaalsContact O-CG 3.31Å; Y58-N62 PolarHBondContact O-N 2.86Å; Y58-N62 PolarHBondContact O-OD1 2.73Å; Y58-N62 PolarHBondContact OH-ND2 3.21Å; Y58-N62 VanDerWaalsContact OH-ND2 3.12Å; N62-Q64 PolarHBondContact O-N 3.24Å; N62-I65 WeakPolarHBondContact O-CB 3.33Å; N62-I65 PolarHBondContact O-N 3.27Å; N62-I65 VanDerWaalsContact O-N 3.11Å; N62-F66 HydrophobicContact CB-CE2 4.37Å; N62-F66 WeakPolarHBondContact O-CD2 3.46Å; N62-F66 PolarHBondContact O-N 2.78Å
63T98.4Very high97.6Very high6 Ų661.1 Ų61.14%0.03731%0.313CS..Hα-helixtrans-53.5-41.5169.2-71.10000111.5R43 E44 W59 K67R43-T63 WeakPolarHBondContact CA-OG1 3.33Å; R43-T63 HydrophobicContact CB-CG2 4.32Å; R43-T63 HydrophobicContact CG-CG2 4.16Å; E44-T63 PolarHBondContact N-OG1 3.18Å; W59-T63 WeakPolarHBondContact O-CB 3.32Å; W59-T63 PolarHBondContact O-N 2.68Å; W59-T63 PolarHBondContact O-OG1 3.26Å; T63-K67 HydrophobicContact CG2-CD 4.05Å; T63-K67 WeakPolarHBondContact O-CB 3.37Å; T63-K67 VanDerWaalsContact O-CG 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.49Å; T63-K67 PolarHBondContact O-N 2.97Å
64Q98.3Very high97.6Very high113 Ų11358.2 Ų58.253%0.52830%0.297SS..Hα-helixtrans-73.6-32.3178.5-170.65728.100113D60 R61 N62 T68D60-Q64 WeakPolarHBondContact O-CB 3.32Å; D60-Q64 PolarHBondContact O-N 3.31Å; R61-Q64 PolarHBondContact O-N 2.81Å; R61-Q64 VanDerWaalsContact O-N 3.15Å; N62-Q64 PolarHBondContact O-N 3.24Å; Q64-T68 PolarHBondContact O-N 3.5Å; Q64-T68 PolarHBondContact O-OG1 2.98Å
65I97.3Very high97.6Very high76 Ų7663.1 Ų63.139%0.3932%0.32SS..Hα-helixtrans-60.4-54.3169.2-67.7167.8000109.9R61 N62 K67 T68 N69R61-I65 HydrophobicContact CG-CD1 4.29Å; R61-I65 WeakPolarHBondContact O-CG1 3.48Å; R61-I65 PolarHBondContact O-N 3.09Å; N62-I65 WeakPolarHBondContact O-CB 3.33Å; N62-I65 PolarHBondContact O-N 3.27Å; N62-I65 VanDerWaalsContact O-N 3.11Å; I65-K67 VanDerWaalsContact C-N 3.3Å; I65-K67 PolarHBondContact O-N 2.85Å; I65-T68 CarbonylContact O-C 3.56Å; I65-T68 WeakPolarHBondContact O-CA 3.46Å; I65-T68 VanDerWaalsContact O-CB 3.29Å; I65-T68 WeakPolarHBondContact O-CB 3.18Å; I65-T68 PolarHBondContact O-N 2.7Å; I65-N69 PolarHBondContact O-N 2.86Å; I65-N69 PolarHBondContact O-OD1 3.4Å
66F97.8Very high97.7Very high6 Ų663.3 Ų63.33%0.02632%0.316CS..Hα-helixtrans-64.3-32-179.1-65.7-55.9000113.8Y6 F21 S23 F35 E44 N62 T68 N69 T70Y6-F66 HydrophobicContact CD1-CZ 4.12Å; Y6-F66 AromaticContact CE1-CZ 3.98Å; Y6-F66 HydrophobicContact CE1-CZ 3.98Å; F21-F66 HydrophobicContact CE1-CB 4.19Å; F21-F66 HydrophobicContact CE1-CD1 4.05Å; F21-F66 HydrophobicContact CZ-CD1 4.26Å; S23-F66 WeakPolarHBondContact OG-CE1 3.45Å; F35-F66 HydrophobicContact CB-CB 4.08Å; F35-F66 HydrophobicContact CB-CD2 3.84Å; F35-F66 HydrophobicContact CB-CE2 4.44Å; F35-F66 HydrophobicContact CB-CG 3.9Å; F35-F66 HydrophobicContact CD1-CB 3.82Å; F35-F66 HydrophobicContact CD1-CG 4.49Å; F35-F66 HydrophobicContact CD2-CB 3.53Å; F35-F66 HydrophobicContact CD2-CD2 4.08Å; F35-F66 HydrophobicContact CD2-CG 4.13Å; F35-F66 HydrophobicContact CE1-CB 4.08Å; F35-F66 HydrophobicContact CE2-CB 3.82Å; F35-F66 HydrophobicContact CG-CB 3.54Å; F35-F66 HydrophobicContact CG-CD2 4.12Å; F35-F66 AromaticContact CG-CG 3.94Å; F35-F66 HydrophobicContact CG-CG 3.94Å; F35-F66 HydrophobicContact CZ-CB 4.08Å; E44-F66 HydrophobicContact CB-CD2 4.21Å; E44-F66 HydrophobicContact CB-CE2 4.2Å; E44-F66 HydrophobicContact CG-CD2 4.39Å; E44-F66 HydrophobicContact CG-CE2 3.9Å; E44-F66 WeakPolarHBondContact OE1-CE2 3.47Å; N62-F66 HydrophobicContact CB-CE2 4.37Å; N62-F66 WeakPolarHBondContact O-CD2 3.46Å; N62-F66 PolarHBondContact O-N 2.78Å; F66-T68 VanDerWaalsContact C-N 3.3Å; F66-T68 PolarHBondContact O-N 2.79Å; F66-N69 PolarHBondContact O-N 3.24Å; F66-T70 WeakPolarHBondContact O-CB 3.33Å; F66-T70 PolarHBondContact O-N 2.76Å; F66-T70 PolarHBondContact O-OG1 2.74Å
67K97.7Very high97.7Very high81 Ų8159.2 Ų59.235%0.35229%0.289SS..Hα-helixtrans-64.9-33.8170.1-77.4171.5-178.7169.30112.8F35 P42 T63 I65F35-K67 HydrophobicContact CE2-CG 4.28Å; F35-K67 HydrophobicContact CZ-CG 4.05Å; P42-K67 WeakPolarHBondContact O-CE 3.37Å; P42-K67 PolarHBondContact O-NZ 2.78Å; T63-K67 HydrophobicContact CG2-CD 4.05Å; T63-K67 WeakPolarHBondContact O-CB 3.37Å; T63-K67 VanDerWaalsContact O-CG 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.49Å; T63-K67 PolarHBondContact O-N 2.97Å; I65-K67 VanDerWaalsContact C-N 3.3Å; I65-K67 PolarHBondContact O-N 2.85Å
68T97.7Very high97.7Very high71 Ų7156.6 Ų56.644%0.43627%0.271SS..Hα-helixtrans-71.1-51.1174.1-54.90000109.9Q64 I65 F66 T70 Q71 T72Q64-T68 PolarHBondContact O-N 3.5Å; Q64-T68 PolarHBondContact O-OG1 2.98Å; I65-T68 CarbonylContact O-C 3.56Å; I65-T68 WeakPolarHBondContact O-CA 3.46Å; I65-T68 VanDerWaalsContact O-CB 3.29Å; I65-T68 WeakPolarHBondContact O-CB 3.18Å; I65-T68 PolarHBondContact O-N 2.7Å; F66-T68 VanDerWaalsContact C-N 3.3Å; F66-T68 PolarHBondContact O-N 2.79Å; T68-T70 VanDerWaalsContact C-N 3.26Å; T68-T70 PolarHBondContact O-N 2.99Å; T68-Q71 PolarHBondContact O-N 3.21Å; T68-T72 PolarHBondContact O-N 3.21Å; T68-T72 PolarHBondContact O-OG1 3.08Å
69N96.5Very high97.7Very high39 Ų3959.6 Ų59.621%0.20929%0.288CS..Hα-helixtrans-53.5-41.7174.6-66.718.4000111.7D8 F21 I65 F66 Q71 T72 D73D8-N69 PolarHBondContact OD2-ND2 2.92Å; F21-N69 HydrophobicContact CE1-CB 4.48Å; F21-N69 HydrophobicContact CE2-CB 3.89Å; F21-N69 HydrophobicContact CZ-CB 3.69Å; I65-N69 PolarHBondContact O-N 2.86Å; I65-N69 PolarHBondContact O-OD1 3.4Å; F66-N69 PolarHBondContact O-N 3.24Å; N69-Q71 VanDerWaalsContact C-N 3.25Å; N69-Q71 PolarHBondContact O-N 3.12Å; N69-T72 PolarHBondContact O-N 2.7Å; N69-T72 VanDerWaalsContact O-N 3.15Å; N69-D73 WeakPolarHBondContact O-CB 3.37Å; N69-D73 PolarHBondContact O-N 2.95Å
70T97.3Very high97.7Very high20 Ų2058 Ų5812%0.12328%0.282CS..Hα-helixtrans-55.5-37175.2-59.60000112.7F21 F66 T68 R74F21-T70 HydrophobicContact CB-CG2 3.89Å; F21-T70 VanDerWaalsContact CD1-OG1 3.27Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.42Å; F21-T70 WeakPolarHBondContact CG-OG1 3.36Å; F66-T70 WeakPolarHBondContact O-CB 3.33Å; F66-T70 PolarHBondContact O-N 2.76Å; F66-T70 PolarHBondContact O-OG1 2.74Å; T68-T70 VanDerWaalsContact C-N 3.26Å; T68-T70 PolarHBondContact O-N 2.99Å; T70-R74 VanDerWaalsContact O-CB 3.28Å; T70-R74 WeakPolarHBondContact O-CB 3.25Å; T70-R74 PolarHBondContact O-N 2.68Å
71Q97.4Very high97.6Very high88 Ų8856.8 Ų56.841%0.41127%0.271SS..Hα-helixtrans-80.5-40.6175.5-59.4-50.8-50.500112T68 N69 D73 R74 E75T68-Q71 PolarHBondContact O-N 3.21Å; N69-Q71 VanDerWaalsContact C-N 3.25Å; N69-Q71 PolarHBondContact O-N 3.12Å; Q71-D73 PolarHBondContact O-N 2.85Å; Q71-R74 WeakPolarHBondContact O-CB 3.4Å; Q71-R74 PolarHBondContact O-N 2.03Å; Q71-E75 PolarHBondContact O-N 2.81Å
72T97.4Very high97.6Very high72 Ų7253.3 Ų53.344%0.44227%0.271SS..Hα-helixtrans-58.8-46176.5-56.60000111.5T68 N69 E75 S76T68-T72 PolarHBondContact O-N 3.21Å; T68-T72 PolarHBondContact O-OG1 3.08Å; N69-T72 PolarHBondContact O-N 2.7Å; N69-T72 VanDerWaalsContact O-N 3.15Å; T72-E75 PolarHBondContact O-N 3.19Å; T72-S76 WeakPolarHBondContact O-CB 3.44Å; T72-S76 PolarHBondContact O-N 3.32Å; T72-S76 PolarHBondContact O-OG 3.08Å
73D97.3Very high97.6Very high10 Ų1055.3 Ų55.35%0.05328%0.278CS..Hα-helixtrans-69.6-34.3178.7-80.110000112.5A10 F21 N69 Q71 E75 S76 L77 L94A10-D73 HydrophobicContact CB-CB 3.62Å; F21-D73 HydrophobicContact CD2-CB 4.35Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.31Å; N69-D73 WeakPolarHBondContact O-CB 3.37Å; N69-D73 PolarHBondContact O-N 2.95Å; Q71-D73 PolarHBondContact O-N 2.85Å; D73-E75 VanDerWaalsContact C-N 3.31Å; D73-E75 PolarHBondContact O-N 3.2Å; D73-S76 PolarHBondContact O-N 3.49Å; D73-L77 WeakPolarHBondContact O-CB 3.5Å; D73-L77 VanDerWaalsContact O-CG 3.27Å; D73-L77 WeakPolarHBondContact O-CG 3.32Å; D73-L77 PolarHBondContact O-N 3.31Å; D73-L94 HydrophobicContact CB-CD2 4.2Å
74R97.2Very high97.6Very high59 Ų5958.4 Ų58.422%0.22329%0.29CS..Hα-helixtrans-61.8-38.4171.6172.8-173.4-177.7-143.10.2111.9E18 P19 T70 Q71 R78E18-R74 VanDerWaalsContact CD-CZ 3.46Å; E18-R74 VanDerWaalsContact CD-NE 3.28Å; E18-R74 IonicContact OE1-CZ 3.74Å; E18-R74 IonicContact OE1-NE 3.67Å; E18-R74 IonicContact OE1-NH2 3.7Å; E18-R74 PolarHBondContact OE1-NH2 2.91Å; E18-R74 IonicContact OE2-CZ 2.74Å; E18-R74 VanDerWaalsContact OE2-CZ 3.29Å; E18-R74 IonicContact OE2-NE 2.73Å; E18-R74 PolarHBondContact OE2-NE 3.26Å; E18-R74 IonicContact OE2-NH2 3.13Å; E18-R74 PolarHBondContact OE2-NH2 2.89Å; P19-R74 HydrophobicContact CG-CB 4.35Å; P19-R74 HydrophobicContact CG-CG 4.18Å; T70-R74 VanDerWaalsContact O-CB 3.28Å; T70-R74 WeakPolarHBondContact O-CB 3.25Å; T70-R74 PolarHBondContact O-N 2.68Å; Q71-R74 WeakPolarHBondContact O-CB 3.4Å; Q71-R74 PolarHBondContact O-N 2.03Å; R74-R78 VanDerWaalsContact NH2-NH2 3.14Å; R74-R78 WeakPolarHBondContact O-CG 3.46Å; R74-R78 PolarHBondContact O-N 3.42Å
75E97.6Very high97.6Very high116 Ų11660.2 Ų60.254%0.54230%0.303SS..Hα-helixtrans-73-41.5172.8-70-175.2179.900112Q71 T72 D73 L77 R78 N79Q71-E75 PolarHBondContact O-N 2.81Å; T72-E75 PolarHBondContact O-N 3.19Å; D73-E75 VanDerWaalsContact C-N 3.31Å; D73-E75 PolarHBondContact O-N 3.2Å; E75-L77 PolarHBondContact O-N 2.76Å; E75-R78 WeakPolarHBondContact O-CB 3.37Å; E75-R78 PolarHBondContact O-N 3.42Å; E75-R78 VanDerWaalsContact O-N 3.15Å; E75-N79 PolarHBondContact O-N 3.46Å; E75-N79 PolarHBondContact O-ND2 2.89Å
76S98.1Very high97.6Very high39 Ų3959.4 Ų59.427%0.27330%0.298SS..Hα-helixtrans-58.8-45.7175-64.30000111.9T72 D73 R78 N79 L80T72-S76 WeakPolarHBondContact O-CB 3.44Å; T72-S76 PolarHBondContact O-N 3.32Å; T72-S76 PolarHBondContact O-OG 3.08Å; D73-S76 PolarHBondContact O-N 3.49Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 2.94Å; S76-N79 WeakPolarHBondContact O-CB 3.32Å; S76-N79 PolarHBondContact O-N 3.1Å; S76-N79 VanDerWaalsContact O-N 3.12Å; S76-L80 WeakPolarHBondContact O-CB 3.04Å; S76-L80 WeakPolarHBondContact O-CD1 3.32Å; S76-L80 WeakPolarHBondContact O-CG 3.43Å; S76-L80 PolarHBondContact O-N 3Å
77L98.3Very high97.5Very high10 Ų1063 Ų635%0.05232%0.324CS..Hα-helixtrans-57.2-38.4174.3-77.1168.7000112.7A10 P19 D73 E75 R81 H92 L94 Y117A10-L77 HydrophobicContact CB-CD1 3.88Å; P19-L77 HydrophobicContact CB-CD1 3.69Å; P19-L77 HydrophobicContact CG-CD1 3.87Å; D73-L77 WeakPolarHBondContact O-CB 3.5Å; D73-L77 VanDerWaalsContact O-CG 3.27Å; D73-L77 WeakPolarHBondContact O-CG 3.32Å; D73-L77 PolarHBondContact O-N 3.31Å; E75-L77 PolarHBondContact O-N 2.76Å; L77-R81 VanDerWaalsContact O-CB 3.27Å; L77-R81 WeakPolarHBondContact O-CB 3.48Å; L77-R81 PolarHBondContact O-N 3.34Å; L77-R81 VanDerWaalsContact O-N 3.16Å; L77-H92 HydrophobicContact CD2-CB 4.35Å; L77-L94 HydrophobicContact CD2-CB 3.68Å; L77-L94 HydrophobicContact CG-CB 4.09Å; L77-Y117 HydrophobicContact CD2-CE2 4Å
78R96.9Very high97.2Very high115 Ų11565.6 Ų65.643%0.43434%0.337SS..Hα-helixtrans-68.7-42.6175.1-69.4169.1178.5163.30.1111.8E18 R74 E75 S76 G82E18-R78 IonicContact OE2-NH2 3.09Å; R74-R78 VanDerWaalsContact NH2-NH2 3.14Å; R74-R78 WeakPolarHBondContact O-CG 3.46Å; R74-R78 PolarHBondContact O-N 3.42Å; E75-R78 WeakPolarHBondContact O-CB 3.37Å; E75-R78 PolarHBondContact O-N 3.42Å; E75-R78 VanDerWaalsContact O-N 3.15Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 2.94Å; R78-G82 PolarHBondContact O-N 3.2Å
79N97.8Very high97Very high73 Ų7366.1 Ų66.139%0.3935%0.348SS..Hα-helixtrans-63.6-49.4178-75.6-42.9000111.6E75 S76 G82 Y83E75-N79 PolarHBondContact O-N 3.46Å; E75-N79 PolarHBondContact O-ND2 2.89Å; S76-N79 WeakPolarHBondContact O-CB 3.32Å; S76-N79 PolarHBondContact O-N 3.1Å; S76-N79 VanDerWaalsContact O-N 3.12Å; N79-G82 CarbonylContact O-C 3.58Å; N79-G82 WeakPolarHBondContact O-CA 3.34Å; N79-G82 PolarHBondContact O-N 3.47Å; N79-G82 VanDerWaalsContact O-N 3.09Å; N79-Y83 HydrophobicContact CB-CE2 4.21Å; N79-Y83 VanDerWaalsContact O-CD1 3.31Å; N79-Y83 WeakPolarHBondContact O-CD1 3.33Å; N79-Y83 VanDerWaalsContact O-CG 3.3Å; N79-Y83 PolarHBondContact O-N 2.91Å
80L98.3Very high96.9Very high6 Ų665.3 Ų65.33%0.03135%0.35CS..Hα-helixtrans-59.1-50.7179.6-70.1162.9000111.2S76 G82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.04Å; S76-L80 WeakPolarHBondContact O-CD1 3.32Å; S76-L80 WeakPolarHBondContact O-CG 3.43Å; S76-L80 PolarHBondContact O-N 3Å; L80-G82 PolarHBondContact O-N 3.47Å; L80-G82 VanDerWaalsContact O-N 3.17Å; L80-Y83 PolarHBondContact O-N 3.35Å; L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.03Å; L80-Y84 PolarHBondContact O-N 3.49Å; L80-L94 HydrophobicContact CD1-CD1 3.9Å; L80-L94 HydrophobicContact CD1-CD2 4.18Å; L80-L94 HydrophobicContact CD1-CG 4.46Å; L80-Y117 HydrophobicContact CB-CD1 4.32Å; L80-Y117 HydrophobicContact CB-CD2 4.16Å; L80-Y117 HydrophobicContact CB-CE1 3.95Å; L80-Y117 HydrophobicContact CB-CE2 3.8Å; L80-Y117 HydrophobicContact CB-CG 4.4Å; L80-Y117 HydrophobicContact CD1-CD2 3.62Å; L80-Y117 HydrophobicContact CD1-CE2 3.92Å; L80-Y117 HydrophobicContact CD1-CG 4.1Å; L80-Y117 HydrophobicContact CD2-CG 4.45Å; L80-Y117 HydrophobicContact CG-CD2 4.37Å; L80-Y117 HydrophobicContact CG-CE2 4.45Å; L80-Y122 HydrophobicContact CD2-CD1 4.22Å; L80-Y122 HydrophobicContact CD2-CD2 4.01Å; L80-Y122 HydrophobicContact CD2-CE1 3.69Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 HydrophobicContact CD2-CG 4.37Å
81R97.4Very high96.9Very high64 Ų6468.4 Ų68.424%0.24237%0.372CS..Hα-helixtrans-52.7-39.1174-173.2-168.965.9166.711.5112L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.27Å; L77-R81 WeakPolarHBondContact O-CB 3.48Å; L77-R81 PolarHBondContact O-N 3.34Å; L77-R81 VanDerWaalsContact O-N 3.16Å; R81-N85 PolarHBondContact O-N 2.9Å; R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 PolarHBondContact O-N 3.32Å; R81-E88 IonicContact CZ-OE1 2.79Å; R81-E88 IonicContact NH1-OE1 3.34Å; R81-E88 PolarHBondContact NH1-OE1 3.32Å; R81-E88 IonicContact NH2-OE1 3.52Å; R81-E88 PolarHBondContact NH2-OE1 2.93Å
82G97.4Very high96.9Very high42 Ų4265 Ų6543%0.43336%0.356SS..Hα-helixtrans-66.7-47173.600000113.6R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 3.2Å; N79-G82 CarbonylContact O-C 3.58Å; N79-G82 WeakPolarHBondContact O-CA 3.34Å; N79-G82 PolarHBondContact O-N 3.47Å; N79-G82 VanDerWaalsContact O-N 3.09Å; L80-G82 PolarHBondContact O-N 3.47Å; L80-G82 VanDerWaalsContact O-N 3.17Å; G82-Y84 VanDerWaalsContact C-N 3.29Å; G82-Y84 PolarHBondContact O-N 3.32Å; G82-N85 PolarHBondContact O-N 3.34Å; G82-N85 VanDerWaalsContact O-N 3.12Å
83Y98.1Very high97Very high56 Ų5663.5 Ų63.522%0.2235%0.347CS..Hα-helixtrans-64.2-34.4-179.2-57.9-16.4000112.5N79 L80 I141 K145N79-Y83 HydrophobicContact CB-CE2 4.21Å; N79-Y83 VanDerWaalsContact O-CD1 3.31Å; N79-Y83 WeakPolarHBondContact O-CD1 3.33Å; N79-Y83 VanDerWaalsContact O-CG 3.3Å; N79-Y83 PolarHBondContact O-N 2.91Å; L80-Y83 PolarHBondContact O-N 3.35Å; Y83-I141 HydrophobicContact CD1-CD1 4.17Å; Y83-I141 HydrophobicContact CD2-CB 4.5Å; Y83-I141 HydrophobicContact CD2-CD1 4.39Å; Y83-I141 HydrophobicContact CE1-CG2 4.37Å; Y83-I141 HydrophobicContact CE2-CB 4.36Å; Y83-I141 HydrophobicContact CE2-CG2 4.08Å; Y83-I141 HydrophobicContact CG-CD1 4.07Å; Y83-K145 PolarHBondContact OH-NZ 2.8Å
84Y98.1Very high97Very high70 Ų7063.2 Ų63.228%0.27535%0.345SS..THydrogen-bonded Turntrans-88.62.7176-68.1-69.1000114.3L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.03Å; L80-Y84 PolarHBondContact O-N 3.49Å; G82-Y84 VanDerWaalsContact C-N 3.29Å; G82-Y84 PolarHBondContact O-N 3.32Å; Y84-Q86 PolarHBondContact O-N 3.49Å; Y84-Y117 AromaticContact CD2-CD1 3.7Å; Y84-Y117 HydrophobicContact CD2-CD1 3.7Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.49Å; Y84-Y117 HydrophobicContact CE2-CD1 3.49Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.49Å; Y84-Y117 AromaticContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CG-CE1 4.44Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.17Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.2Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.47Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 2.9Å; Y84-D136 PolarHBondContact OH-OD2 3.48Å; Y84-A138 HydrophobicContact CD1-CB 4.21Å; Y84-A138 HydrophobicContact CE1-CB 3.67Å; Y84-A138 HydrophobicContact CE2-CB 4Å
85N97.1Very high97.1Very high151 Ų15164.1 Ų64.181%0.80735%0.352SS*.THydrogen-bonded Turntrans52.936.8-177.2-56.1-79.7000113.6R81 G82R81-N85 PolarHBondContact O-N 2.9Å; G82-N85 PolarHBondContact O-N 3.34Å; G82-N85 VanDerWaalsContact O-N 3.12Å
86Q97.5Very high97.2Very high59 Ų5959 Ų5928%0.27633%0.329SS..  trans-83.7152.9-176.3-71.7165.4-40.800112.3R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 PolarHBondContact O-N 3.32Å; Y84-Q86 PolarHBondContact O-N 3.49Å; Q86-H92 PolarHBondContact NE2-CE1 2.9Å; Q86-H92 PolarHBondContact OE1-CE1 2.95Å; Q86-Y117 PolarHBondContact OE1-OH 2.86Å; Q86-D118 PolarHBondContact NE2-OD2 2.89Å
87S95.7Very high97.2Very high83 Ų8358.3 Ų58.358%0.5832%0.322SS*.  trans-69144.9-179.6178.90000112.6A89 G90S87-A89 PolarHBondContact O-N 3.38Å; S87-A89 PolarHBondContact OG-N 2.93Å; S87-G90 PolarHBondContact O-N 3.45Å; S87-G90 VanDerWaalsContact O-N 3.07Å
88E92.9Very high97.2Very high135 Ų13559.4 Ų59.463%0.63133%0.325SS*.THydrogen-bonded Turntrans-63.9-20.7174.5-57.4-145107.900114.1P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.39Å; P14-E88 VanDerWaalsContact CG-O 3.26Å; P14-E88 WeakPolarHBondContact CG-O 3.13Å; R81-E88 IonicContact CZ-OE1 2.79Å; R81-E88 IonicContact NH1-OE1 3.34Å; R81-E88 PolarHBondContact NH1-OE1 3.32Å; R81-E88 IonicContact NH2-OE1 3.52Å; R81-E88 PolarHBondContact NH2-OE1 2.93Å; E88-G90 VanDerWaalsContact C-N 3.28Å
89A93.4Very high97.3Very high81 Ų8154 Ų5467%0.66931%0.305SS*.THydrogen-bonded Turntrans-79.3-9.6176.100000113.4S87S87-A89 PolarHBondContact O-N 3.38Å; S87-A89 PolarHBondContact OG-N 2.93Å
90G93.5Very high97.3Very high23 Ų2350.5 Ų50.524%0.23729%0.286CS..  trans-73.2130.4178.300000112.7P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.29Å; S87-G90 PolarHBondContact O-N 3.45Å; S87-G90 VanDerWaalsContact O-N 3.07Å; E88-G90 VanDerWaalsContact C-N 3.28Å; G90-H92 PolarHBondContact O-CD2 2.92Å
91S96.9Very high97.4Very high84 Ų8451.7 Ų51.759%0.58729%0.293SS*.  trans-81.9131163.2-1750000107.9S12S12-S91 PolarHBondContact O-OG 3.43Å
92H98.3Very high97.4Very high17 Ų1748.7 Ų48.78%0.07928%0.282CS..  trans-134.6150.1-172.8-66.6-71.7000110.2S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 2.5Å; S12-H92 PolarHBondContact OG-N 3.46Å; S12-H92 PolarHBondContact OG-O 3.32Å; L77-H92 HydrophobicContact CD2-CB 4.35Å; Q86-H92 PolarHBondContact NE2-CE1 2.9Å; Q86-H92 PolarHBondContact OE1-CE1 2.95Å; G90-H92 PolarHBondContact O-CD2 2.92Å; H92-Y117 HydrophobicContact CB-CE2 3.9Å; H92-Y117 WeakPolarHBondContact CB-OH 3.29Å; H92-Y117 VanDerWaalsContact CG-OH 3.27Å; H92-Y117 AromaticContact ND1-CZ 3.99Å; H92-Y117 PolarHBondContact ND1-OH 2.93Å; H92-D118 WeakPolarHBondContact CA-OD1 3.45Å; H92-D118 WeakPolarHBondContact CB-OD1 3.2Å; H92-D118 IonicContact CE1-OD2 3.29Å; H92-D118 IonicContact CG-OD1 2.69Å; H92-D118 IonicContact CG-OD2 3.2Å; H92-D118 IonicContact ND1-OD1 3.7Å; H92-D118 PolarHBondContact ND1-OD1 3.45Å; H92-D118 IonicContact ND1-OD2 2.69Å; H92-D118 PolarHBondContact ND1-OD2 2.99Å
93T98.6Very high97.4Very high40 Ų4046.9 Ų46.925%0.24526%0.263CS..EExtended strand (participates in β ladder)trans-124.5127.1-176.3-54.50000110.3T9 A10 M11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.93Å; A10-T93 WeakPolarHBondContact O-CA 3.36Å; M11-T93 HydrophobicContact CG-CG2 4.05Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; T93-Y117 CarbonylContact O-C 3.57Å; T93-Y117 WeakPolarHBondContact O-CA 3.35Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.3Å; T93-D118 PolarHBondContact N-OD1 3.48Å; T93-D118 PolarHBondContact O-N 2.93Å
94L98.8Very high97.2Very high5 Ų550.5 Ų50.53%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-108.1131.6167.117461.3000107.7T9 A10 D73 L77 L80 Y115T9-L94 WeakPolarHBondContact CA-O 3.4Å; A10-L94 HydrophobicContact CB-CB 4.45Å; A10-L94 PolarHBondContact N-O 2.91Å; A10-L94 PolarHBondContact O-N 2.46Å; D73-L94 HydrophobicContact CB-CD2 4.2Å; L77-L94 HydrophobicContact CD2-CB 3.68Å; L77-L94 HydrophobicContact CG-CB 4.09Å; L80-L94 HydrophobicContact CD1-CD1 3.9Å; L80-L94 HydrophobicContact CD1-CD2 4.18Å; L80-L94 HydrophobicContact CD1-CG 4.46Å; L94-Y115 HydrophobicContact CD1-CD1 4.36Å
95Q98.8Very high97.1Very high78 Ų7851.4 Ų51.436%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-124145.3175.9-58.9176.9-99.600108.6D8 T9 T93 Y115 A116D8-Q95 WeakPolarHBondContact O-CA 3.35Å; T9-Q95 HydrophobicContact CG2-CG 4.15Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; Q95-Y115 CarbonylContact O-C 3.54Å; Q95-Y115 VanDerWaalsContact O-CA 3.27Å; Q95-Y115 WeakPolarHBondContact O-CA 3.4Å; Q95-A116 HydrophobicContact CB-CB 4.44Å; Q95-A116 PolarHBondContact N-O 2.94Å; Q95-A116 PolarHBondContact O-N 3.43Å
96S98.5Very high96.9Very high8 Ų844.9 Ų44.96%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-129.6150.6167.283.40000110.6F7 D8 Q114 Y115F7-S96 WeakPolarHBondContact CA-O 3.4Å; D8-S96 WeakPolarHBondContact CB-OG 3.31Å; D8-S96 PolarHBondContact N-O 2.79Å; D8-S96 PolarHBondContact O-N 2.89Å; S96-Q114 CarbonylContact C-O 3.51Å; S96-Q114 VanDerWaalsContact CA-O 3.29Å; S96-Q114 WeakPolarHBondContact CA-O 3.13Å; S96-Y115 VanDerWaalsContact CB-CD1 3.46Å; S96-Y115 VanDerWaalsContact CB-CE1 3.41Å
97M98.7Very high96.9Very high24 Ų2450 Ų5012%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-134.8124168.4-173.9-78-6800108.1Y6 F7 H112 Q114Y6-M97 WeakPolarHBondContact O-CA 3.38Å; F7-M97 HydrophobicContact CD1-CB 4.04Å; F7-M97 HydrophobicContact CD1-CG 3.59Å; F7-M97 HydrophobicContact CE1-CB 4.25Å; F7-M97 HydrophobicContact CE1-CG 3.4Å; F7-M97 HydrophobicContact CG-CG 4.42Å; F7-M97 HydrophobicContact CZ-CG 4.08Å; M97-H112 HydrophobicContact CE-CB 3.97Å; M97-H112 HydrophobicContact SD-CB 4.17Å; M97-Q114 HydrophobicContact CB-CG 4.17Å; M97-Q114 HydrophobicContact CE-CG 3.95Å; M97-Q114 VanDerWaalsContact CE-OE1 3.23Å; M97-Q114 PolarHBondContact N-O 3.39Å; M97-Q114 PolarHBondContact O-N 2.76Å
98Y98.7Very high97Very high34 Ų3448.5 Ų48.513%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-140153.8177.165.5-89.6000111.3R5 Y6 H112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.33Å; Y6-Y98 HydrophobicContact CD2-CD2 4.42Å; Y6-Y98 AromaticContact CD2-CE2 3.72Å; Y6-Y98 HydrophobicContact CD2-CE2 3.72Å; Y6-Y98 AromaticContact CG-CE2 3.9Å; Y6-Y98 HydrophobicContact CG-CE2 3.9Å; Y6-Y98 AromaticContact CG-CZ 3.79Å; Y6-Y98 PolarHBondContact N-O 3.01Å; Y6-Y98 PolarHBondContact O-N 3.35Å; Y6-Y98 VanDerWaalsContact O-N 3.15Å; Y98-H112 CarbonylContact C-O 3.56Å; Y98-H112 WeakPolarHBondContact CA-O 3.49Å; Y98-H112 WeakPolarHBondContact CB-O 3.46Å; Y98-Y158 AromaticContact CD2-CE1 3.99Å; Y98-Y158 HydrophobicContact CD2-CE1 3.99Å; Y98-Y158 HydrophobicContact CE2-CE1 4.22Å
99G98.7Very high97.3Very high0 Ų047.8 Ų47.80%027%0.273CS..EExtended strand (participates in β ladder)trans154.8-176.1-177.800000114.5M4 G111 H112 L159M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.31Å; G99-G111 CarbonylContact O-C 3.6Å; G99-H112 PolarHBondContact N-O 3.3Å; G99-H112 PolarHBondContact O-N 2.97Å; G99-L159 WeakPolarHBondContact O-CD2 3.45Å
100C98.8Very high97.5Very high0 Ų048.7 Ų48.70%026%0.259CS..EExtended strand (participates in β ladder)trans-134.1144.6-171.352.30000111.5S3 M4 L108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.34Å; M4-C100 PolarHBondContact N-O 3.31Å; M4-C100 PolarHBondContact O-N 2.93Å; C100-L108 HydrophobicContact CB-CD1 3.6Å; C100-R110 WeakPolarHBondContact CA-O 3.47Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.44Å; C100-C163 PolarHBondContact N-SG 3.47Å; C100-C163 WeakPolarHBondContact SG-CB 3.09Å; C100-C163 PolarHBondContact SG-O 3.46Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.48Å; C100-V164 HydrophobicContact CB-CG2 4.41Å
101D98.6Very high97.7Very high31 Ų3147.9 Ų47.917%0.16625%0.251CS..EExtended strand (participates in β ladder)trans-110.1134.7173.1-51.7-30.2000108.8H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.54Å; H2-D101 WeakPolarHBondContact O-CA 3.36Å; S3-D101 VanDerWaalsContact CB-OD1 3.29Å; S3-D101 WeakPolarHBondContact CB-OD1 3.27Å; R5-D101 IonicContact CZ-OD1 3.67Å; R5-D101 IonicContact NE-OD1 3.84Å; R5-D101 PolarHBondContact NE-OD1 3.11Å; R5-D101 VanDerWaalsContact NE-OD1 3.08Å; R5-D101 VanDerWaalsContact NH2-CG 3.33Å; R5-D101 IonicContact NH2-OD1 2.7Å; R5-D101 PolarHBondContact NH2-OD1 3.17Å; R5-D101 IonicContact NH2-OD2 3.43Å; R5-D101 PolarHBondContact NH2-OD2 3.41Å; R5-D101 VanDerWaalsContact NH2-OD2 3.13Å; D101-L109 PolarHBondContact O-N 3.07Å; D101-R110 HydrophobicContact CB-CB 4.38Å; D101-R110 PolarHBondContact N-O 3.22Å; D101-R110 PolarHBondContact O-N 3.36Å; D101-H112 IonicContact OD1-NE2 3.09Å; D101-H112 IonicContact OD2-CD2 3.58Å; D101-H112 IonicContact OD2-CE1 3.86Å; D101-H112 IonicContact OD2-NE2 2.7Å; D101-H112 PolarHBondContact OD2-NE2 2.9Å
102V98.4Very high97.8Very high2 Ų244.8 Ų44.81%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-124.1145.1-178.1-60.20000113.2S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CB-O 3.49Å; H2-V102 HydrophobicContact CB-CG2 4.08Å; H2-V102 PolarHBondContact N-O 3.15Å; H2-V102 VanDerWaalsContact N-O 3.09Å; H2-V102 PolarHBondContact O-N 3.47Å; V102-R107 CarbonylContact C-O 3.54Å; V102-R107 WeakPolarHBondContact CA-O 3.32Å; V102-R107 WeakPolarHBondContact CB-O 3.5Å; V102-V164 HydrophobicContact CG1-CB 4.48Å; V102-V164 HydrophobicContact CG1-CG1 4.11Å; V102-V164 HydrophobicContact CG1-CG2 4.01Å; V102-L167 HydrophobicContact CB-CD2 4.37Å; V102-L167 HydrophobicContact CG1-CD2 3.94Å; V102-L167 HydrophobicContact CG2-CD2 3.6Å; V102-L167 HydrophobicContact CG2-CG 4.19Å
103G97.1Very high97.8Very high4 Ų444.4 Ų44.44%0.04123%0.226CC..  trans-73173.7174.900000112.7D105 G106 R107G103-D105 PolarHBondContact O-N 3.46Å; G103-G106 WeakPolarHBondContact O-CA 3.44Å; G103-G106 PolarHBondContact O-N 2.8Å; G103-R107 PolarHBondContact N-O 2.71Å
104P94.8Very high97.8Very high131 Ų13145.8 Ų45.885%0.85123%0.229SC*.THydrogen-bonded Turntrans-61.4-20.2172.8-22.234.2000114
105D95.1Very high97.8Very high89 Ų8948 Ų4848%0.47624%0.237SC..THydrogen-bonded Turntrans-84.96.417172.3-15.7000113.1G103 R107G103-D105 PolarHBondContact O-N 3.46Å; D105-R107 PolarHBondContact O-N 2.93Å; D105-R107 WeakPolarHBondContact OD1-CB 3.46Å; D105-R107 PolarHBondContact OD1-N 2.95Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 WeakPolarHBondContact OD2-CG 3.3Å; D105-R107 IonicContact OD2-CZ 3.73Å; D105-R107 IonicContact OD2-NE 3.4Å; D105-R107 IonicContact OD2-NH1 2.82Å; D105-R107 PolarHBondContact OD2-NH1 2.85Å
106G94.3Very high97.8Very high14 Ų1445.1 Ų45.114%0.14423%0.227CC..SBendtrans69.44.8-177.800000114.8G103 V164 R168G103-G106 WeakPolarHBondContact O-CA 3.44Å; G103-G106 PolarHBondContact O-N 2.8Å; G106-V164 WeakPolarHBondContact O-CG1 3.34Å; G106-R168 VanDerWaalsContact O-CZ 3.24Å; G106-R168 PolarHBondContact O-NE 3.15Å; G106-R168 PolarHBondContact O-NH2 3.42Å
107R96.8Very high97.8Very high166 Ų16645.2 Ų45.263%0.62623%0.227SC*.  trans-79.2149.6179.1-65.1-171.9-178.1130.5-10.3111.5V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.54Å; V102-R107 WeakPolarHBondContact CA-O 3.32Å; V102-R107 WeakPolarHBondContact CB-O 3.5Å; G103-R107 PolarHBondContact N-O 2.71Å; D105-R107 PolarHBondContact O-N 2.93Å; D105-R107 WeakPolarHBondContact OD1-CB 3.46Å; D105-R107 PolarHBondContact OD1-N 2.95Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 WeakPolarHBondContact OD2-CG 3.3Å; D105-R107 IonicContact OD2-CZ 3.73Å; D105-R107 IonicContact OD2-NE 3.4Å; D105-R107 IonicContact OD2-NH1 2.82Å; D105-R107 PolarHBondContact OD2-NH1 2.85Å; R107-L109 PolarHBondContact O-N 2.86Å
108L98.3Very high97.8Very high53 Ų5347 Ų4728%0.27724%0.237SC..EExtended strand (participates in β ladder)trans-57.9126.6173.9-17372000110.2C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.6Å; L108-R110 WeakPolarHBondContact CD1-O 3.34Å; L108-L129 HydrophobicContact CD2-CD1 4.16Å; L108-E160 HydrophobicContact CD2-CB 4.49Å; L108-E160 HydrophobicContact CD2-CG 3.78Å; L108-V164 HydrophobicContact CB-CG2 4.04Å; L108-V164 HydrophobicContact CD1-CG2 3.84Å
109L98Very high97.8Very high119 Ų11948.2 Ų48.262%0.62326%0.259SS*.EExtended strand (participates in β ladder)trans-96.9-42.5167-62.5177.6000110.7D101 R107D101-L109 PolarHBondContact O-N 3.07Å; R107-L109 PolarHBondContact O-N 2.86Å
110R97.8Very high97.8Very high100 Ų10055.8 Ų55.838%0.37729%0.292SS..EExtended strand (participates in β ladder)trans-154.6138.3-176.2-172.5174.2179.8123.48.9110.9C100 D101 L108 H112 E127C100-R110 WeakPolarHBondContact CA-O 3.47Å; D101-R110 HydrophobicContact CB-CB 4.38Å; D101-R110 PolarHBondContact N-O 3.22Å; D101-R110 PolarHBondContact O-N 3.36Å; L108-R110 WeakPolarHBondContact CD1-O 3.34Å; R110-H112 WeakPolarHBondContact CD-CE1 3.45Å; R110-H112 PolarHBondContact NE-CE1 3.47Å; R110-E127 IonicContact CZ-OE1 2.79Å; R110-E127 IonicContact NH1-OE1 2.7Å; R110-E127 PolarHBondContact NH1-OE1 2.66Å; R110-E127 IonicContact NH1-OE2 3.55Å; R110-E127 IonicContact NH2-OE1 3.82Å; R110-E127 PolarHBondContact NH2-OE1 3.35Å
111G98.4Very high97.8Very high6 Ų661.4 Ų61.46%0.06232%0.322CS..EExtended strand (participates in β ladder)trans-106.1152.4165.600000110.5G99G99-G111 CarbonylContact O-C 3.6Å
112H98.4Very high97.8Very high20 Ų2060.3 Ų60.39%0.09332%0.316CS..EExtended strand (participates in β ladder)trans-133.6136.9178.9-52.5-101.4000109.4R5 M97 Y98 G99 D101 R110R5-H112 PolarHBondContact NH2-NE2 2.98Å; R5-H112 VanDerWaalsContact NH2-NE2 3.13Å; M97-H112 HydrophobicContact CE-CB 3.97Å; M97-H112 HydrophobicContact SD-CB 4.17Å; Y98-H112 CarbonylContact C-O 3.56Å; Y98-H112 WeakPolarHBondContact CA-O 3.49Å; Y98-H112 WeakPolarHBondContact CB-O 3.46Å; G99-H112 PolarHBondContact N-O 3.3Å; G99-H112 PolarHBondContact O-N 2.97Å; D101-H112 IonicContact OD1-NE2 3.09Å; D101-H112 IonicContact OD2-CD2 3.58Å; D101-H112 IonicContact OD2-CE1 3.86Å; D101-H112 IonicContact OD2-NE2 2.7Å; D101-H112 PolarHBondContact OD2-NE2 2.9Å; R110-H112 WeakPolarHBondContact CD-CE1 3.45Å; R110-H112 PolarHBondContact NE-CE1 3.47Å
113N98.6Very high97.8Very high9 Ų960.4 Ų60.45%0.04832%0.316CS..EExtended strand (participates in β ladder)trans-148112.1159.2-17414.6000108.1Y115 L125 D155N113-Y115 WeakPolarHBondContact OD1-CE2 3.44Å; N113-L125 HydrophobicContact CB-CB 4.08Å; N113-L125 HydrophobicContact CB-CD2 4.16Å; N113-L125 WeakPolarHBondContact O-CB 3.48Å; N113-L125 PolarHBondContact O-N 3.11Å; N113-D155 PolarHBondContact ND2-OD2 2.8Å
114Q98.7Very high97.9Very high69 Ų6961.7 Ų61.732%0.32233%0.326SS..EExtended strand (participates in β ladder)trans-143.7149.3-175.862.7-177.290.500112.1S96 M97 I123 A124S96-Q114 CarbonylContact C-O 3.51Å; S96-Q114 VanDerWaalsContact CA-O 3.29Å; S96-Q114 WeakPolarHBondContact CA-O 3.13Å; M97-Q114 HydrophobicContact CB-CG 4.17Å; M97-Q114 HydrophobicContact CE-CG 3.95Å; M97-Q114 VanDerWaalsContact CE-OE1 3.23Å; M97-Q114 PolarHBondContact N-O 3.39Å; M97-Q114 PolarHBondContact O-N 2.76Å; Q114-I123 WeakPolarHBondContact CA-O 3.19Å; Q114-A124 HydrophobicContact CB-CB 3.82Å
115Y98.8Very high98.1Very high50 Ų5056.1 Ų56.120%0.19629%0.289CS..EExtended strand (participates in β ladder)trans-128.4142.8-176.2-61.2-100.2000110.7L94 Q95 S96 N113 Y122 I123 W146L94-Y115 HydrophobicContact CD1-CD1 4.36Å; Q95-Y115 CarbonylContact O-C 3.54Å; Q95-Y115 VanDerWaalsContact O-CA 3.27Å; Q95-Y115 WeakPolarHBondContact O-CA 3.4Å; S96-Y115 VanDerWaalsContact CB-CD1 3.46Å; S96-Y115 VanDerWaalsContact CB-CE1 3.41Å; N113-Y115 WeakPolarHBondContact OD1-CE2 3.44Å; Y115-Y122 WeakPolarHBondContact O-CB 3.47Å; Y115-Y122 PolarHBondContact O-N 3.47Å; Y115-I123 HydrophobicContact CD2-CG2 4.02Å; Y115-I123 HydrophobicContact CG-CG2 4.47Å; Y115-I123 PolarHBondContact N-O 3.47Å; Y115-I123 PolarHBondContact O-N 3.05Å; Y115-W146 AromaticContact CD2-CH2 3.72Å; Y115-W146 HydrophobicContact CD2-CH2 3.72Å; Y115-W146 HydrophobicContact CD2-CZ3 4.08Å; Y115-W146 AromaticContact CE2-CH2 3.42Å; Y115-W146 HydrophobicContact CE2-CH2 3.42Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.42Å; Y115-W146 AromaticContact CE2-CZ3 3.85Å; Y115-W146 HydrophobicContact CE2-CZ3 3.85Å; Y115-W146 HydrophobicContact CG-CH2 4.43Å; Y115-W146 AromaticContact CZ-CH2 3.88Å
116A98.9Very high98.2Very high18 Ų1853.9 Ų53.915%0.14928%0.277CS..EExtended strand (participates in β ladder)trans-126.4143.6174.100000110.6Q95 K120Q95-A116 HydrophobicContact CB-CB 4.44Å; Q95-A116 PolarHBondContact N-O 2.94Å; Q95-A116 PolarHBondContact O-N 3.43Å; A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.44Å; A116-K120 VanDerWaalsContact CB-O 3.26Å; A116-K120 WeakPolarHBondContact CB-O 3.44Å
117Y98.8Very high98.4Very high11 Ų1159.9 Ų59.94%0.04330%0.302CS..EExtended strand (participates in β ladder)trans-124.4130.5178.1-173.5-120.1000110.6L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4Å; L80-Y117 HydrophobicContact CB-CD1 4.32Å; L80-Y117 HydrophobicContact CB-CD2 4.16Å; L80-Y117 HydrophobicContact CB-CE1 3.95Å; L80-Y117 HydrophobicContact CB-CE2 3.8Å; L80-Y117 HydrophobicContact CB-CG 4.4Å; L80-Y117 HydrophobicContact CD1-CD2 3.62Å; L80-Y117 HydrophobicContact CD1-CE2 3.92Å; L80-Y117 HydrophobicContact CD1-CG 4.1Å; L80-Y117 HydrophobicContact CD2-CG 4.45Å; L80-Y117 HydrophobicContact CG-CD2 4.37Å; L80-Y117 HydrophobicContact CG-CE2 4.45Å; Y84-Y117 AromaticContact CD2-CD1 3.7Å; Y84-Y117 HydrophobicContact CD2-CD1 3.7Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.49Å; Y84-Y117 HydrophobicContact CE2-CD1 3.49Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.49Å; Y84-Y117 AromaticContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CG-CE1 4.44Å; Q86-Y117 PolarHBondContact OE1-OH 2.86Å; H92-Y117 HydrophobicContact CB-CE2 3.9Å; H92-Y117 WeakPolarHBondContact CB-OH 3.29Å; H92-Y117 VanDerWaalsContact CG-OH 3.27Å; H92-Y117 AromaticContact ND1-CZ 3.99Å; H92-Y117 PolarHBondContact ND1-OH 2.93Å; T93-Y117 CarbonylContact O-C 3.57Å; T93-Y117 WeakPolarHBondContact O-CA 3.35Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.3Å; Y117-G119 PolarHBondContact O-N 3.38Å; Y117-G119 VanDerWaalsContact O-N 3.14Å; Y117-K120 PolarHBondContact N-O 2.78Å; Y117-K120 PolarHBondContact O-N 3.17Å
118D98.3Very high98.5Very high62 Ų6255.5 Ų55.533%0.33229%0.291SS..THydrogen-bonded Turntrans47.139.5-174-65.8-21.1000113.2Q86 H92 T93Q86-D118 PolarHBondContact NE2-OD2 2.89Å; H92-D118 WeakPolarHBondContact CA-OD1 3.45Å; H92-D118 WeakPolarHBondContact CB-OD1 3.2Å; H92-D118 IonicContact CE1-OD2 3.29Å; H92-D118 IonicContact CG-OD1 2.69Å; H92-D118 IonicContact CG-OD2 3.2Å; H92-D118 IonicContact ND1-OD1 3.7Å; H92-D118 PolarHBondContact ND1-OD1 3.45Å; H92-D118 IonicContact ND1-OD2 2.69Å; H92-D118 PolarHBondContact ND1-OD2 2.99Å; T93-D118 PolarHBondContact N-OD1 3.48Å; T93-D118 PolarHBondContact O-N 2.93Å
119G97.7Very high98.5Very high59 Ų5953.3 Ų53.361%0.60828%0.279SS*.THydrogen-bonded Turntrans78.114178.200000115.6Y117Y117-G119 PolarHBondContact O-N 3.38Å; Y117-G119 VanDerWaalsContact O-N 3.14Å
120K98.6Very high98.5Very high159 Ų15955.4 Ų55.469%0.69128%0.279SS*.EExtended strand (participates in β ladder)trans-122.6145.5177-61.6178.1-176.9176.30110.9A116 Y117 Y122A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.44Å; A116-K120 VanDerWaalsContact CB-O 3.26Å; A116-K120 WeakPolarHBondContact CB-O 3.44Å; Y117-K120 PolarHBondContact N-O 2.78Å; Y117-K120 PolarHBondContact O-N 3.17Å; K120-Y122 PolarHBondContact O-N 3.04Å
121D98.8Very high98.5Very high117 Ų11752.6 Ų52.663%0.62627%0.274SS*.EExtended strand (participates in β ladder)trans-53.5134.9173.7-63.6-47.4000111.1A135D121-A135 WeakPolarHBondContact O-CB 3.48Å
122Y98.8Very high98.5Very high9 Ų952.8 Ų52.84%0.03527%0.273CS..EExtended strand (participates in β ladder)trans-113.7-62.9-179.7178.2-111000110.5L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.22Å; L80-Y122 HydrophobicContact CD2-CD2 4.01Å; L80-Y122 HydrophobicContact CD2-CE1 3.69Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 HydrophobicContact CD2-CG 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.17Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.2Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; Y115-Y122 WeakPolarHBondContact O-CB 3.47Å; Y115-Y122 PolarHBondContact O-N 3.47Å; K120-Y122 PolarHBondContact O-N 3.04Å; Y122-A135 WeakPolarHBondContact O-CB 3.39Å; Y122-A135 PolarHBondContact O-N 2.93Å; Y122-A138 HydrophobicContact CE2-CB 4.47Å; Y122-A138 PolarHBondContact OH-O 2.74Å; Y122-A139 HydrophobicContact CD2-CB 3.86Å; Y122-A139 VanDerWaalsContact CE2-CA 3.44Å; Y122-A139 HydrophobicContact CE2-CB 3.68Å; Y122-A139 HydrophobicContact CG-CB 4.37Å; Y122-A139 WeakPolarHBondContact O-CB 3.49Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 WeakPolarHBondContact OH-CB 3.34Å; Y122-T142 PolarHBondContact OH-OG1 3.23Å
123I98.8Very high98.5Very high3 Ų355.6 Ų55.62%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-148.6141.2177.5-160.9174.2000110.4Q114 Y115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.19Å; Y115-I123 HydrophobicContact CD2-CG2 4.02Å; Y115-I123 HydrophobicContact CG-CG2 4.47Å; Y115-I123 PolarHBondContact N-O 3.47Å; Y115-I123 PolarHBondContact O-N 3.05Å; I123-W132 HydrophobicContact CD1-CB 4.16Å; I123-W132 HydrophobicContact CD1-CD2 4.34Å; I123-W132 HydrophobicContact CD1-CE3 4.16Å; I123-W132 HydrophobicContact CD1-CG 4.36Å; I123-W132 HydrophobicContact CG1-CB 4.28Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; I123-T133 WeakPolarHBondContact CA-O 3.36Å; I123-T133 WeakPolarHBondContact CG1-O 3.5Å; I123-T142 HydrophobicContact CD1-CG2 4.3Å; I123-Q143 HydrophobicContact CD1-CB 3.89Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.34Å; I123-W146 HydrophobicContact CG2-CE3 4.41Å; I123-W146 HydrophobicContact CG2-CH2 4Å; I123-W146 HydrophobicContact CG2-CZ3 3.63Å
124A98.8Very high98.5Very high31 Ų3156.3 Ų56.326%0.25630%0.299SS..EExtended strand (participates in β ladder)trans-133.8139.6178.400000111.5Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.82Å; A124-W132 VanDerWaalsContact C-CE3 3.49Å; A124-W132 WeakPolarHBondContact O-CA 3.23Å; A124-T133 PolarHBondContact N-O 2.99Å; A124-T133 PolarHBondContact O-N 3.36Å
125L98.8Very high98.5Very high14 Ų1456 Ų567%0.07331%0.308CS..EExtended strand (participates in β ladder)trans-71.4128.3168.6-174.965.4000108.4N113 L129 W132 A152 D155 L159N113-L125 HydrophobicContact CB-CB 4.08Å; N113-L125 HydrophobicContact CB-CD2 4.16Å; N113-L125 WeakPolarHBondContact O-CB 3.48Å; N113-L125 PolarHBondContact O-N 3.11Å; L125-L129 HydrophobicContact CD2-CB 4.47Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.26Å; L125-W132 HydrophobicContact CB-CE3 4.02Å; L125-W132 HydrophobicContact CB-CH2 3.99Å; L125-W132 HydrophobicContact CB-CZ3 3.62Å; L125-W132 HydrophobicContact CD1-CD2 4.22Å; L125-W132 HydrophobicContact CD1-CE3 4.35Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.26Å; L125-W132 HydrophobicContact CG-CH2 4.48Å; L125-A152 HydrophobicContact CD1-CB 3.81Å; L125-D155 HydrophobicContact CD2-CB 4.02Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å
126N98.7Very high98.5Very high42 Ų4256.1 Ų56.123%0.22531%0.312CS..  trans-73.3163.9-179.3-66.6-28000111.4D128 L129 S131 T133N126-D128 PolarHBondContact O-N 2.86Å; N126-L129 WeakPolarHBondContact O-CA 3.43Å; N126-L129 PolarHBondContact O-N 3.18Å; N126-S131 WeakPolarHBondContact CB-O 3.24Å; N126-S131 PolarHBondContact N-O 2.72Å; N126-S131 PolarHBondContact ND2-O 3.4Å; N126-S131 PolarHBondContact ND2-OG 2.95Å; N126-T133 WeakPolarHBondContact OD1-CB 3.22Å; N126-T133 PolarHBondContact OD1-N 2.92Å; N126-T133 PolarHBondContact OD1-OG1 3.5Å
127E97.9Very high98.5Very high140 Ų14060.5 Ų60.565%0.65434%0.337SS*.THydrogen-bonded Turntrans-60.4-17.2-179.6-64179.4-166.300113.9R110 L129R110-E127 IonicContact CZ-OE1 2.79Å; R110-E127 IonicContact NH1-OE1 2.7Å; R110-E127 PolarHBondContact NH1-OE1 2.66Å; R110-E127 IonicContact NH1-OE2 3.55Å; R110-E127 IonicContact NH2-OE1 3.82Å; R110-E127 PolarHBondContact NH2-OE1 3.35Å; E127-L129 PolarHBondContact O-N 3.35Å
128D97.9Very high98.4Very high74 Ų7460.1 Ų60.140%0.39634%0.337SS..THydrogen-bonded Turntrans-74.3-8.9172.971.6-1.1000113.9N126 R130 S131N126-D128 PolarHBondContact O-N 2.86Å; D128-R130 WeakPolarHBondContact O-CG 3.46Å; D128-R130 PolarHBondContact O-N 2.04Å; D128-R130 PolarHBondContact OD1-N 2.94Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 2.91Å; D128-S131 PolarHBondContact OD1-OG 2.78Å; D128-S131 WeakPolarHBondContact OD2-CB 3.4Å; D128-S131 PolarHBondContact OD2-OG 2.82Å
129L98.4Very high98.5Very high7 Ų757.2 Ų57.24%0.03732%0.321CS..SBendtrans52.630.6-173.9-53.8-178.7000113.5L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.16Å; L125-L129 HydrophobicContact CD2-CB 4.47Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.26Å; N126-L129 WeakPolarHBondContact O-CA 3.43Å; N126-L129 PolarHBondContact O-N 3.18Å; E127-L129 PolarHBondContact O-N 3.35Å; L129-R156 HydrophobicContact CB-CB 3.97Å; L129-R156 HydrophobicContact CB-CG 3.71Å; L129-R156 HydrophobicContact CD1-CG 4.16Å; L129-R156 WeakPolarHBondContact O-CB 3.34Å; L129-R156 WeakPolarHBondContact O-CD 3.42Å; L129-L159 HydrophobicContact CD1-CB 4.43Å; L129-L159 HydrophobicContact CD2-CD1 3.97Å; L129-E160 HydrophobicContact CD1-CG 4.17Å
130R98Very high98.5Very high163 Ų16357.7 Ų57.762%0.61531%0.308SS*.SBendtrans-138.5-32.3-173.1-70.7165.8-177.8-86.88.2113.5D128D128-R130 WeakPolarHBondContact O-CG 3.46Å; D128-R130 PolarHBondContact O-N 2.04Å; D128-R130 PolarHBondContact OD1-N 2.94Å
131S98.2Very high98.5Very high41 Ų4153.1 Ų53.129%0.28729%0.29SS..  trans-115.6161.9-178.362.90000111.8N126 D128N126-S131 WeakPolarHBondContact CB-O 3.24Å; N126-S131 PolarHBondContact N-O 2.72Å; N126-S131 PolarHBondContact ND2-O 3.4Å; N126-S131 PolarHBondContact ND2-OG 2.95Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 2.91Å; D128-S131 PolarHBondContact OD1-OG 2.78Å; D128-S131 WeakPolarHBondContact OD2-CB 3.4Å; D128-S131 PolarHBondContact OD2-OG 2.82Å
132W98.8Very high98.5Very high10 Ų1048.3 Ų48.34%0.03827%0.265CS..EExtended strand (participates in β ladder)trans-118.2143.8-176.7-62.493.6000111.1I123 A124 L125 Q143 W146 V151 A152 D155I123-W132 HydrophobicContact CD1-CB 4.16Å; I123-W132 HydrophobicContact CD1-CD2 4.34Å; I123-W132 HydrophobicContact CD1-CE3 4.16Å; I123-W132 HydrophobicContact CD1-CG 4.36Å; I123-W132 HydrophobicContact CG1-CB 4.28Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; A124-W132 VanDerWaalsContact C-CE3 3.49Å; A124-W132 WeakPolarHBondContact O-CA 3.23Å; L125-W132 HydrophobicContact CB-CE3 4.02Å; L125-W132 HydrophobicContact CB-CH2 3.99Å; L125-W132 HydrophobicContact CB-CZ3 3.62Å; L125-W132 HydrophobicContact CD1-CD2 4.22Å; L125-W132 HydrophobicContact CD1-CE3 4.35Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.26Å; L125-W132 HydrophobicContact CG-CH2 4.48Å; W132-Q143 HydrophobicContact CB-CG 4.16Å; W132-Q143 PolarHBondContact O-NE2 3.04Å; W132-W146 HydrophobicContact CD2-CE3 4.02Å; W132-W146 AromaticContact CE2-CE3 3.84Å; W132-W146 AromaticContact CE3-CE3 3.91Å; W132-W146 HydrophobicContact CE3-CE3 3.91Å; W132-W146 HydrophobicContact CE3-CZ3 4.01Å; W132-W146 AromaticContact CH2-CE3 3.48Å; W132-W146 HydrophobicContact CH2-CE3 3.48Å; W132-W146 VanDerWaalsContact CH2-CE3 3.48Å; W132-W146 AromaticContact CH2-CZ3 3.52Å; W132-W146 HydrophobicContact CH2-CZ3 3.52Å; W132-W146 HydrophobicContact CZ2-CD2 4.48Å; W132-W146 AromaticContact CZ2-CE3 3.58Å; W132-W146 HydrophobicContact CZ2-CE3 3.58Å; W132-W146 HydrophobicContact CZ2-CZ3 4.13Å; W132-W146 AromaticContact CZ3-CE3 3.65Å; W132-W146 HydrophobicContact CZ3-CE3 3.65Å; W132-W146 AromaticContact CZ3-CZ3 3.45Å; W132-W146 HydrophobicContact CZ3-CZ3 3.45Å; W132-W146 VanDerWaalsContact CZ3-CZ3 3.45Å; W132-V151 HydrophobicContact CZ2-CB 4.33Å; W132-V151 HydrophobicContact CZ2-CG1 4.08Å; W132-A152 HydrophobicContact CZ2-CB 4.18Å; W132-D155 VanDerWaalsContact CH2-OD2 3.3Å; W132-D155 WeakPolarHBondContact CH2-OD2 3.31Å
133T98.8Very high98.5Very high80 Ų8049.7 Ų49.749%0.49127%0.272SS..EExtended strand (participates in β ladder)trans-104.6118.1164.2-66.70000109I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.36Å; I123-T133 WeakPolarHBondContact CG1-O 3.5Å; A124-T133 PolarHBondContact N-O 2.99Å; A124-T133 PolarHBondContact O-N 3.36Å; N126-T133 WeakPolarHBondContact OD1-CB 3.22Å; N126-T133 PolarHBondContact OD1-N 2.92Å; N126-T133 PolarHBondContact OD1-OG1 3.5Å
134A98.7Very high98.5Very high23 Ų2356.4 Ų56.419%0.1930%0.297CS..EExtended strand (participates in β ladder)trans-99.2129176.100000110.4A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.66Å; A134-Q140 HydrophobicContact CB-CG 4.05Å; A134-Q143 HydrophobicContact CB-CB 4.39Å
135A98.6Very high98.5Very high63 Ų6360 Ų6052%0.52131%0.307SS..SBendtrans-71.9-31.4-175.500000113.7D121 Y122D121-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 WeakPolarHBondContact O-CB 3.39Å; Y122-A135 PolarHBondContact O-N 2.93Å
136D98.4Very high98.4Very high52 Ų5262 Ų6228%0.27831%0.314SS..SBendtrans-150-173.2-178.368.929.1000113.6Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.47Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 2.9Å; Y84-D136 PolarHBondContact OH-OD2 3.48Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 3.12Å; D136-A138 WeakPolarHBondContact OD1-CA 3.41Å; D136-A138 WeakPolarHBondContact OD1-CB 3.4Å; D136-A138 PolarHBondContact OD1-N 2.85Å; D136-A139 PolarHBondContact O-N 3.13Å; D136-A139 PolarHBondContact OD1-N 3.13Å; D136-Q140 WeakPolarHBondContact O-CG 3.47Å; D136-Q140 PolarHBondContact O-N 2.73Å
137T98.3Very high98.4Very high110 Ų11064.6 Ų64.668%0.67532%0.324SS*.THydrogen-bonded Turntrans-68.8-24.1-179.451.20000114.4
138A98.3Very high98.5Very high4 Ų462.1 Ų62.13%0.03333%0.328CS..THydrogen-bonded Turntrans-78.7-37.1173.200000110.8Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.21Å; Y84-A138 HydrophobicContact CE1-CB 3.67Å; Y84-A138 HydrophobicContact CE2-CB 4Å; Y122-A138 HydrophobicContact CE2-CB 4.47Å; Y122-A138 PolarHBondContact OH-O 2.74Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 3.12Å; D136-A138 WeakPolarHBondContact OD1-CA 3.41Å; D136-A138 WeakPolarHBondContact OD1-CB 3.4Å; D136-A138 PolarHBondContact OD1-N 2.85Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-I141 WeakPolarHBondContact O-CB 3.43Å; A138-I141 PolarHBondContact O-N 3.08Å
139A98.6Very high98.5Very high0 Ų061.4 Ų61.40%033%0.332CS..Hα-helixtrans-62.9-37.4171.100000112.5Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.86Å; Y122-A139 VanDerWaalsContact CE2-CA 3.44Å; Y122-A139 HydrophobicContact CE2-CB 3.68Å; Y122-A139 HydrophobicContact CG-CB 4.37Å; Y122-A139 WeakPolarHBondContact O-CB 3.49Å; A134-A139 HydrophobicContact CB-CB 3.66Å; D136-A139 PolarHBondContact O-N 3.13Å; D136-A139 PolarHBondContact OD1-N 3.13Å; A139-I141 PolarHBondContact O-N 2.89Å; A139-T142 PolarHBondContact O-N 2.96Å; A139-Q143 PolarHBondContact O-N 2.82Å
140Q98.7Very high98.5Very high70 Ų7068.3 Ų68.333%0.32736%0.358SS..Hα-helixtrans-59.7-24.6173.5-73.3174.717.600113.9A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 4.05Å; D136-Q140 WeakPolarHBondContact O-CG 3.47Å; D136-Q140 PolarHBondContact O-N 2.73Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; Q140-R144 VanDerWaalsContact O-CG 3.29Å; Q140-R144 WeakPolarHBondContact O-CG 3.48Å; Q140-R144 PolarHBondContact O-N 2.79Å; Q140-R144 VanDerWaalsContact OE1-NH2 3.12Å
141I98.5Very high98.5Very high62 Ų6261.9 Ų61.932%0.31834%0.336SS..Hα-helixtrans-68.5-44.1173.9-58.6171.9000109.7Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.17Å; Y83-I141 HydrophobicContact CD2-CB 4.5Å; Y83-I141 HydrophobicContact CD2-CD1 4.39Å; Y83-I141 HydrophobicContact CE1-CG2 4.37Å; Y83-I141 HydrophobicContact CE2-CB 4.36Å; Y83-I141 HydrophobicContact CE2-CG2 4.08Å; Y83-I141 HydrophobicContact CG-CD1 4.07Å; A138-I141 WeakPolarHBondContact O-CB 3.43Å; A138-I141 PolarHBondContact O-N 3.08Å; A139-I141 PolarHBondContact O-N 2.89Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 3.12Å
142T98.5Very high98.5Very high16 Ų1660.3 Ų60.310%0.09833%0.326CS..Hα-helixtrans-68.8-43.5177.1-65.40000111.3Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 WeakPolarHBondContact OH-CB 3.34Å; Y122-T142 PolarHBondContact OH-OG1 3.23Å; I123-T142 HydrophobicContact CD1-CG2 4.3Å; A139-T142 PolarHBondContact O-N 2.96Å; T142-R144 PolarHBondContact O-N 3.15Å; T142-K145 WeakPolarHBondContact O-CB 3.42Å; T142-K145 PolarHBondContact O-N 2.99Å; T142-K145 VanDerWaalsContact O-N 3.09Å; T142-W146 HydrophobicContact CG2-CD2 3.71Å; T142-W146 VanDerWaalsContact CG2-CE2 3.47Å; T142-W146 HydrophobicContact CG2-CE3 4.18Å; T142-W146 HydrophobicContact CG2-CG 4.14Å; T142-W146 HydrophobicContact CG2-CH2 4.22Å; T142-W146 HydrophobicContact CG2-CZ2 3.77Å; T142-W146 HydrophobicContact CG2-CZ3 4.41Å; T142-W146 WeakPolarHBondContact O-CB 3.49Å; T142-W146 PolarHBondContact O-N 2.91Å
143Q98.7Very high98.5Very high39 Ų3965.2 Ų65.218%0.18235%0.349CS..Hα-helixtrans-50.1-54.7173.7176.2171.711.400111.8I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.89Å; W132-Q143 HydrophobicContact CB-CG 4.16Å; W132-Q143 PolarHBondContact O-NE2 3.04Å; A134-Q143 HydrophobicContact CB-CB 4.39Å; A139-Q143 PolarHBondContact O-N 2.82Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 2.89Å; Q143-W146 PolarHBondContact O-N 2.83Å; Q143-W146 VanDerWaalsContact O-N 3.1Å; Q143-E147 HydrophobicContact CG-CG 4.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.36Å; Q143-E147 PolarHBondContact NE2-OE1 3.28Å; Q143-E147 WeakPolarHBondContact O-CB 3.12Å; Q143-E147 WeakPolarHBondContact O-CG 3.46Å; Q143-E147 PolarHBondContact O-N 2.96Å
144R98.7Very high98.5Very high144 Ų14467.9 Ų67.954%0.54336%0.356SS..Hα-helixtrans-59.9-35.8-179.6-69.1169.4-166.7131.211.1112.8Q140 T142 A148Q140-R144 VanDerWaalsContact O-CG 3.29Å; Q140-R144 WeakPolarHBondContact O-CG 3.48Å; Q140-R144 PolarHBondContact O-N 2.79Å; Q140-R144 VanDerWaalsContact OE1-NH2 3.12Å; T142-R144 PolarHBondContact O-N 3.15Å; R144-A148 VanDerWaalsContact O-CB 3.27Å; R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 2.97Å; R144-A148 VanDerWaalsContact O-N 3.1Å
145K98.4Very high98.4Very high106 Ų10668.2 Ų68.246%0.46136%0.355SS..Hα-helixtrans-67.9-44.1175.2-72.1174.6173.1-172.40111.6Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 2.8Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 3.12Å; T142-K145 WeakPolarHBondContact O-CB 3.42Å; T142-K145 PolarHBondContact O-N 2.99Å; T142-K145 VanDerWaalsContact O-N 3.09Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 2.89Å; K145-A148 PolarHBondContact O-N 2.84Å; K145-A149 VanDerWaalsContact O-CB 3.26Å; K145-A149 WeakPolarHBondContact O-CB 3.42Å; K145-A149 PolarHBondContact O-N 2.86Å
146W98.5Very high98.4Very high57 Ų5768.6 Ų68.622%0.21634%0.343CS..Hα-helixtrans-72.4-34.7-177.9-74.15.5000112.8Y115 I123 W132 T142 Q143 A149 R150 V151Y115-W146 AromaticContact CD2-CH2 3.72Å; Y115-W146 HydrophobicContact CD2-CH2 3.72Å; Y115-W146 HydrophobicContact CD2-CZ3 4.08Å; Y115-W146 AromaticContact CE2-CH2 3.42Å; Y115-W146 HydrophobicContact CE2-CH2 3.42Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.42Å; Y115-W146 AromaticContact CE2-CZ3 3.85Å; Y115-W146 HydrophobicContact CE2-CZ3 3.85Å; Y115-W146 HydrophobicContact CG-CH2 4.43Å; Y115-W146 AromaticContact CZ-CH2 3.88Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.34Å; I123-W146 HydrophobicContact CG2-CE3 4.41Å; I123-W146 HydrophobicContact CG2-CH2 4Å; I123-W146 HydrophobicContact CG2-CZ3 3.63Å; W132-W146 HydrophobicContact CD2-CE3 4.02Å; W132-W146 AromaticContact CE2-CE3 3.84Å; W132-W146 AromaticContact CE3-CE3 3.91Å; W132-W146 HydrophobicContact CE3-CE3 3.91Å; W132-W146 HydrophobicContact CE3-CZ3 4.01Å; W132-W146 AromaticContact CH2-CE3 3.48Å; W132-W146 HydrophobicContact CH2-CE3 3.48Å; W132-W146 VanDerWaalsContact CH2-CE3 3.48Å; W132-W146 AromaticContact CH2-CZ3 3.52Å; W132-W146 HydrophobicContact CH2-CZ3 3.52Å; W132-W146 HydrophobicContact CZ2-CD2 4.48Å; W132-W146 AromaticContact CZ2-CE3 3.58Å; W132-W146 HydrophobicContact CZ2-CE3 3.58Å; W132-W146 HydrophobicContact CZ2-CZ3 4.13Å; W132-W146 AromaticContact CZ3-CE3 3.65Å; W132-W146 HydrophobicContact CZ3-CE3 3.65Å; W132-W146 AromaticContact CZ3-CZ3 3.45Å; W132-W146 HydrophobicContact CZ3-CZ3 3.45Å; W132-W146 VanDerWaalsContact CZ3-CZ3 3.45Å; T142-W146 HydrophobicContact CG2-CD2 3.71Å; T142-W146 VanDerWaalsContact CG2-CE2 3.47Å; T142-W146 HydrophobicContact CG2-CE3 4.18Å; T142-W146 HydrophobicContact CG2-CG 4.14Å; T142-W146 HydrophobicContact CG2-CH2 4.22Å; T142-W146 HydrophobicContact CG2-CZ2 3.77Å; T142-W146 HydrophobicContact CG2-CZ3 4.41Å; T142-W146 WeakPolarHBondContact O-CB 3.49Å; T142-W146 PolarHBondContact O-N 2.91Å; Q143-W146 PolarHBondContact O-N 2.83Å; Q143-W146 VanDerWaalsContact O-N 3.1Å; W146-A149 CarbonylContact O-C 3.4Å; W146-R150 WeakPolarHBondContact O-CA 3.21Å; W146-R150 PolarHBondContact O-N 2.67Å; W146-V151 HydrophobicContact CB-CB 3.98Å; W146-V151 HydrophobicContact CB-CG2 3.86Å; W146-V151 HydrophobicContact CD2-CG1 4.4Å; W146-V151 HydrophobicContact CD2-CG2 4.49Å; W146-V151 HydrophobicContact CG-CB 4.12Å; W146-V151 HydrophobicContact CG-CG1 4.47Å; W146-V151 HydrophobicContact CG-CG2 3.8Å; W146-V151 PolarHBondContact O-N 2.87Å
147E98.6Very high98.4Very high95 Ų9569.2 Ų69.244%0.44436%0.355SS..Hα-helixtrans-64.2-48.4169.4-71.9169.1171.400111.1Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.36Å; Q143-E147 PolarHBondContact NE2-OE1 3.28Å; Q143-E147 WeakPolarHBondContact O-CB 3.12Å; Q143-E147 WeakPolarHBondContact O-CG 3.46Å; Q143-E147 PolarHBondContact O-N 2.96Å; E147-A149 VanDerWaalsContact C-N 3.3Å; E147-A149 PolarHBondContact O-N 3.38Å; E147-R150 PolarHBondContact O-N 3.14Å; E147-R150 VanDerWaalsContact O-N 3.13Å
148A98.5Very high98.5Very high89 Ų8967.3 Ų67.374%0.73634%0.336SS*.Hα-helixtrans-62.8-34.6177.100000113.1R144 K145R144-A148 VanDerWaalsContact O-CB 3.27Å; R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 2.97Å; R144-A148 VanDerWaalsContact O-N 3.1Å; K145-A148 PolarHBondContact O-N 2.84Å
149A98.3Very high98.5Very high58 Ų5867.2 Ų67.248%0.47934%0.335SS..THydrogen-bonded Turntrans-88.5-0.8176.500000114.2K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.26Å; K145-A149 WeakPolarHBondContact O-CB 3.42Å; K145-A149 PolarHBondContact O-N 2.86Å; W146-A149 CarbonylContact O-C 3.4Å; E147-A149 VanDerWaalsContact C-N 3.3Å; E147-A149 PolarHBondContact O-N 3.38Å; A149-V151 VanDerWaalsContact C-N 3.3Å; A149-V151 HydrophobicContact CB-CG2 4.14Å; A149-V151 PolarHBondContact O-N 3.46Å
150R98.2Very high98.5Very high153 Ų15371.3 Ų71.358%0.57735%0.354SS*.THydrogen-bonded Turntrans54.537.4-178.4-62.7167.1168.9-119.24.1114.6W146 E147 A152 E153W146-R150 WeakPolarHBondContact O-CA 3.21Å; W146-R150 PolarHBondContact O-N 2.67Å; E147-R150 PolarHBondContact O-N 3.14Å; E147-R150 VanDerWaalsContact O-N 3.13Å; R150-A152 VanDerWaalsContact C-N 3.25Å; R150-A152 PolarHBondContact O-N 2.87Å; R150-E153 HydrophobicContact CB-CB 4.43Å; R150-E153 HydrophobicContact CB-CG 4.12Å; R150-E153 IonicContact CZ-OE1 3.47Å; R150-E153 IonicContact NE-OE1 3.63Å; R150-E153 IonicContact NH1-OE1 2.92Å; R150-E153 PolarHBondContact NH1-OE1 2.8Å; R150-E153 IonicContact NH1-OE2 3.19Å; R150-E153 PolarHBondContact NH1-OE2 2.82Å; R150-E153 WeakPolarHBondContact O-CB 3.35Å; R150-E153 PolarHBondContact O-N 2.66Å
151V98.5Very high98.4Very high28 Ų2869 Ų6917%0.1735%0.349CS..Hα-helixtrans-55.9-40.2-177.2176.80000111.8W132 W146 A149 E153 Q154 D155W132-V151 HydrophobicContact CZ2-CB 4.33Å; W132-V151 HydrophobicContact CZ2-CG1 4.08Å; W146-V151 HydrophobicContact CB-CB 3.98Å; W146-V151 HydrophobicContact CB-CG2 3.86Å; W146-V151 HydrophobicContact CD2-CG1 4.4Å; W146-V151 HydrophobicContact CD2-CG2 4.49Å; W146-V151 HydrophobicContact CG-CB 4.12Å; W146-V151 HydrophobicContact CG-CG1 4.47Å; W146-V151 HydrophobicContact CG-CG2 3.8Å; W146-V151 PolarHBondContact O-N 2.87Å; A149-V151 VanDerWaalsContact C-N 3.3Å; A149-V151 HydrophobicContact CB-CG2 4.14Å; A149-V151 PolarHBondContact O-N 3.46Å; V151-E153 PolarHBondContact O-N 3.45Å; V151-Q154 WeakPolarHBondContact O-CB 3.21Å; V151-Q154 PolarHBondContact O-N 3.23Å; V151-D155 PolarHBondContact O-N 2.94Å
152A98.6Very high98.4Very high8 Ų868.9 Ų68.97%0.06635%0.351CS..Hα-helixtrans-59-28.6177.100000113.9L125 W132 R150 Q154 R156L125-A152 HydrophobicContact CD1-CB 3.81Å; W132-A152 HydrophobicContact CZ2-CB 4.18Å; R150-A152 VanDerWaalsContact C-N 3.25Å; R150-A152 PolarHBondContact O-N 2.87Å; A152-Q154 VanDerWaalsContact C-N 3.31Å; A152-Q154 PolarHBondContact O-N 2.94Å; A152-R156 WeakPolarHBondContact O-CB 3.19Å; A152-R156 PolarHBondContact O-N 3.43Å
153E98.4Very high98.4Very high113 Ų11368.1 Ų68.153%0.52835%0.347SS..Hα-helixtrans-67.9-33.1175-63.3-180-174.100111.5R150 V151 A157R150-E153 HydrophobicContact CB-CB 4.43Å; R150-E153 HydrophobicContact CB-CG 4.12Å; R150-E153 IonicContact CZ-OE1 3.47Å; R150-E153 IonicContact NE-OE1 3.63Å; R150-E153 IonicContact NH1-OE1 2.92Å; R150-E153 PolarHBondContact NH1-OE1 2.8Å; R150-E153 IonicContact NH1-OE2 3.19Å; R150-E153 PolarHBondContact NH1-OE2 2.82Å; R150-E153 WeakPolarHBondContact O-CB 3.35Å; R150-E153 PolarHBondContact O-N 2.66Å; V151-E153 PolarHBondContact O-N 3.45Å; E153-A157 WeakPolarHBondContact O-CB 3.33Å; E153-A157 PolarHBondContact O-N 3.17Å
154Q97.8Very high98.4Very high135 Ų13566.6 Ų66.663%0.63134%0.34SS*.Hα-helixtrans-77.8-47.9178.3-56.1-179.219.100111V151 A152 R156 A157 Y158V151-Q154 WeakPolarHBondContact O-CB 3.21Å; V151-Q154 PolarHBondContact O-N 3.23Å; A152-Q154 VanDerWaalsContact C-N 3.31Å; A152-Q154 PolarHBondContact O-N 2.94Å; Q154-R156 VanDerWaalsContact C-N 3.31Å; Q154-R156 PolarHBondContact O-N 2.93Å; Q154-A157 PolarHBondContact O-N 3.14Å; Q154-A157 VanDerWaalsContact O-N 3.15Å; Q154-Y158 PolarHBondContact O-N 2.71Å
155D98.3Very high98.4Very high31 Ų3165.8 Ų65.817%0.16634%0.342CS..Hα-helixtrans-58.2-45.5176.5-69.3-8.9000110.9N113 L125 W132 V151 A157 Y158 L159N113-D155 PolarHBondContact ND2-OD2 2.8Å; L125-D155 HydrophobicContact CD2-CB 4.02Å; W132-D155 VanDerWaalsContact CH2-OD2 3.3Å; W132-D155 WeakPolarHBondContact CH2-OD2 3.31Å; V151-D155 PolarHBondContact O-N 2.94Å; D155-A157 VanDerWaalsContact C-N 3.34Å; D155-A157 PolarHBondContact O-N 3.32Å; D155-Y158 PolarHBondContact O-N 3.1Å; D155-L159 WeakPolarHBondContact O-CB 3.47Å; D155-L159 WeakPolarHBondContact O-CG 3.21Å; D155-L159 PolarHBondContact O-N 2.74Å
156R98.6Very high98.4Very high71 Ų7163 Ų6327%0.26833%0.329SS..Hα-helixtrans-61.1-40.9176.6-175170.4177.6-104.4-15.8112.5L129 A152 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 3.97Å; L129-R156 HydrophobicContact CB-CG 3.71Å; L129-R156 HydrophobicContact CD1-CG 4.16Å; L129-R156 WeakPolarHBondContact O-CB 3.34Å; L129-R156 WeakPolarHBondContact O-CD 3.42Å; A152-R156 WeakPolarHBondContact O-CB 3.19Å; A152-R156 PolarHBondContact O-N 3.43Å; Q154-R156 VanDerWaalsContact C-N 3.31Å; Q154-R156 PolarHBondContact O-N 2.93Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 3.06Å; R156-L159 PolarHBondContact O-N 2.87Å; R156-E160 HydrophobicContact CG-CG 4.03Å; R156-E160 IonicContact CZ-OE1 3.72Å; R156-E160 IonicContact CZ-OE2 3.91Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 2.73Å; R156-E160 PolarHBondContact NE-OE1 3.4Å; R156-E160 IonicContact NE-OE2 3.61Å; R156-E160 PolarHBondContact NE-OE2 2.86Å; R156-E160 IonicContact NH1-OE2 3.87Å; R156-E160 IonicContact NH2-OE1 3.71Å; R156-E160 PolarHBondContact NH2-OE1 3.23Å; R156-E160 IonicContact NH2-OE2 2.79Å; R156-E160 PolarHBondContact NH2-OE2 3.44Å; R156-E160 VanDerWaalsContact O-CB 3.32Å; R156-E160 WeakPolarHBondContact O-CB 3.38Å; R156-E160 WeakPolarHBondContact O-CG 3.41Å; R156-E160 PolarHBondContact O-N 3.22Å
157A98.6Very high98.4Very high64 Ų6460.3 Ų60.353%0.52932%0.319SS..Hα-helixtrans-64.4-38.3176.700000112.3E153 Q154 D155 G161E153-A157 WeakPolarHBondContact O-CB 3.33Å; E153-A157 PolarHBondContact O-N 3.17Å; Q154-A157 PolarHBondContact O-N 3.14Å; Q154-A157 VanDerWaalsContact O-N 3.15Å; D155-A157 VanDerWaalsContact C-N 3.34Å; D155-A157 PolarHBondContact O-N 3.32Å; A157-G161 PolarHBondContact O-N 2.87Å
158Y98.4Very high98.4Very high70 Ų7061.4 Ų61.428%0.27532%0.319SS..Iπ-helixtrans-66.2-47.3172.1170.7-97000111.9Y98 Q154 D155 R156 G161 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.99Å; Y98-Y158 HydrophobicContact CD2-CE1 3.99Å; Y98-Y158 HydrophobicContact CE2-CE1 4.22Å; Q154-Y158 PolarHBondContact O-N 2.71Å; D155-Y158 PolarHBondContact O-N 3.1Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 3.06Å; Y158-G161 CarbonylContact O-C 3.5Å; Y158-T162 HydrophobicContact CD2-CG2 3.84Å; Y158-T162 HydrophobicContact CE2-CG2 3.78Å; Y158-T162 PolarHBondContact O-N 2.97Å; Y158-T162 VanDerWaalsContact O-N 3.12Å; Y158-C163 HydrophobicContact CD1-CB 4.3Å; Y158-C163 HydrophobicContact CE1-CB 3.86Å; Y158-C163 WeakPolarHBondContact O-CB 3.28Å; Y158-C163 PolarHBondContact O-N 2.94Å
159L98.7Very high98.4Very high3 Ų362.8 Ų62.82%0.01631%0.305CS..Iπ-helixtrans-70.4-38.9-175-69.9171.6000113.3G99 L125 L129 D155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.45Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å; L129-L159 HydrophobicContact CD1-CB 4.43Å; L129-L159 HydrophobicContact CD2-CD1 3.97Å; D155-L159 WeakPolarHBondContact O-CB 3.47Å; D155-L159 WeakPolarHBondContact O-CG 3.21Å; D155-L159 PolarHBondContact O-N 2.74Å; R156-L159 PolarHBondContact O-N 2.87Å; L159-V164 WeakPolarHBondContact O-CG2 3.22Å
160E98.4Very high98.4Very high86 Ų8660.2 Ų60.240%0.40228%0.283SS..Iπ-helixtrans-79.6-26.5177.4-67.9-176.6164.800113.3L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.49Å; L108-E160 HydrophobicContact CD2-CG 3.78Å; L129-E160 HydrophobicContact CD1-CG 4.17Å; R156-E160 HydrophobicContact CG-CG 4.03Å; R156-E160 IonicContact CZ-OE1 3.72Å; R156-E160 IonicContact CZ-OE2 3.91Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 2.73Å; R156-E160 PolarHBondContact NE-OE1 3.4Å; R156-E160 IonicContact NE-OE2 3.61Å; R156-E160 PolarHBondContact NE-OE2 2.86Å; R156-E160 IonicContact NH1-OE2 3.87Å; R156-E160 IonicContact NH2-OE1 3.71Å; R156-E160 PolarHBondContact NH2-OE1 3.23Å; R156-E160 IonicContact NH2-OE2 2.79Å; R156-E160 PolarHBondContact NH2-OE2 3.44Å; R156-E160 VanDerWaalsContact O-CB 3.32Å; R156-E160 WeakPolarHBondContact O-CB 3.38Å; R156-E160 WeakPolarHBondContact O-CG 3.41Å; R156-E160 PolarHBondContact O-N 3.22Å
161G98.3Very high98.4Very high22 Ų2253.5 Ų53.523%0.22726%0.258CS..Iπ-helixtrans-108.2-92.3-179.500000112.7A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 2.87Å; Y158-G161 CarbonylContact O-C 3.5Å; G161-C163 VanDerWaalsContact C-N 3.32Å; G161-C163 PolarHBondContact O-N 3.21Å; G161-C163 VanDerWaalsContact O-N 3.17Å; G161-V164 PolarHBondContact O-N 2.82Å; G161-E165 WeakPolarHBondContact O-CG 3.2Å; G161-E165 PolarHBondContact O-N 3.28Å
162T98.3Very high98.3Very high59 Ų5958.1 Ų58.136%0.36228%0.278SS..Iπ-helixtrans-49.1-46.1-169.9-55.10000113.7Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.84Å; Y158-T162 HydrophobicContact CE2-CG2 3.78Å; Y158-T162 PolarHBondContact O-N 2.97Å; Y158-T162 VanDerWaalsContact O-N 3.12Å; T162-V164 PolarHBondContact O-N 2.96Å; T162-E165 PolarHBondContact O-N 3.17Å; T162-W166 VanDerWaalsContact O-CD1 3.22Å; T162-W166 PolarHBondContact O-N 3.12Å
163C98.7Very high98.2Very high0 Ų060.1 Ų60.10%029%0.287CS..Hα-helixtrans-60.5-47.2-179.6-172.80000111.8M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 VanDerWaalsContact CE-O 3.23Å; M4-C163 WeakPolarHBondContact CE-O 3.45Å; M4-C163 WeakPolarHBondContact CE-SG 3.16Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.44Å; C100-C163 PolarHBondContact N-SG 3.47Å; C100-C163 WeakPolarHBondContact SG-CB 3.09Å; C100-C163 PolarHBondContact SG-O 3.46Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.48Å; Y158-C163 HydrophobicContact CD1-CB 4.3Å; Y158-C163 HydrophobicContact CE1-CB 3.86Å; Y158-C163 WeakPolarHBondContact O-CB 3.28Å; Y158-C163 PolarHBondContact O-N 2.94Å; G161-C163 VanDerWaalsContact C-N 3.32Å; G161-C163 PolarHBondContact O-N 3.21Å; G161-C163 VanDerWaalsContact O-N 3.17Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.33Å; C163-L167 PolarHBondContact O-N 3.02Å
164V98.7Very high98.1Very high7 Ų754.9 Ų54.94%0.04226%0.264CS..Hα-helixtrans-66.8-40.2179.4173.70000111.4C100 V102 G106 L108 L159 G161 T162 R168C100-V164 HydrophobicContact CB-CG2 4.41Å; V102-V164 HydrophobicContact CG1-CB 4.48Å; V102-V164 HydrophobicContact CG1-CG1 4.11Å; V102-V164 HydrophobicContact CG1-CG2 4.01Å; G106-V164 WeakPolarHBondContact O-CG1 3.34Å; L108-V164 HydrophobicContact CB-CG2 4.04Å; L108-V164 HydrophobicContact CD1-CG2 3.84Å; L159-V164 WeakPolarHBondContact O-CG2 3.22Å; G161-V164 PolarHBondContact O-N 2.82Å; T162-V164 PolarHBondContact O-N 2.96Å; V164-R168 VanDerWaalsContact O-CG 3.27Å; V164-R168 WeakPolarHBondContact O-CG 3.28Å; V164-R168 PolarHBondContact O-N 3.22Å
165E98.4Very high98Very high126 Ų12652.4 Ų52.459%0.58925%0.251SS*.Hα-helixtrans-63.4-46.9177.6-70.5177170.500112.2G161 T162 R169G161-E165 WeakPolarHBondContact O-CG 3.2Å; G161-E165 PolarHBondContact O-N 3.28Å; T162-E165 PolarHBondContact O-N 3.17Å; E165-R169 PolarHBondContact O-N 3.27Å; E165-R169 VanDerWaalsContact O-N 3.11Å
166W98.4Very high97.8Very high49 Ų4957.4 Ų57.419%0.18628%0.278CS..Hα-helixtrans-69-40.8177.7-79.3100000112.5M4 Y58 T162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.17Å; Y58-W166 HydrophobicContact CD2-CE3 4.48Å; Y58-W166 AromaticContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CZ2 4.28Å; Y58-W166 AromaticContact CD2-CZ3 3.67Å; Y58-W166 HydrophobicContact CD2-CZ3 3.67Å; Y58-W166 HydrophobicContact CE2-CE3 4.13Å; Y58-W166 HydrophobicContact CE2-CH2 4.03Å; Y58-W166 AromaticContact CE2-CZ3 3.72Å; Y58-W166 HydrophobicContact CE2-CZ3 3.72Å; T162-W166 VanDerWaalsContact O-CD1 3.22Å; T162-W166 PolarHBondContact O-N 3.12Å; W166-R168 PolarHBondContact O-N 3.05Å; W166-R169 WeakPolarHBondContact O-CB 3.31Å; W166-R169 PolarHBondContact O-N 3.41Å; W166-Y170 HydrophobicContact CB-CE2 4.16Å; W166-Y170 HydrophobicContact CE3-CD1 4.43Å; W166-Y170 AromaticContact CE3-CE1 3.46Å; W166-Y170 HydrophobicContact CE3-CE1 3.46Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.46Å; W166-Y170 AromaticContact CE3-CZ 3.56Å; W166-Y170 VanDerWaalsContact CE3-OH 3.28Å; W166-Y170 AromaticContact CZ3-CE1 3.98Å; W166-Y170 HydrophobicContact CZ3-CE1 3.98Å; W166-Y170 WeakPolarHBondContact O-CD2 3.38Å; W166-Y170 PolarHBondContact O-N 2.6Å
167L98.6Very high97.5Very high0 Ų056.1 Ų56.10%028%0.278CS..Hα-helixtrans-58.9-46174.8173.752.6000111.6H2 M4 V27 V102 C163 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.34Å; M4-L167 HydrophobicContact CB-CB 4Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.06Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.45Å; M4-L167 HydrophobicContact SD-CB 4.49Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.26Å; V102-L167 HydrophobicContact CB-CD2 4.37Å; V102-L167 HydrophobicContact CG1-CD2 3.94Å; V102-L167 HydrophobicContact CG2-CD2 3.6Å; V102-L167 HydrophobicContact CG2-CG 4.19Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.33Å; C163-L167 PolarHBondContact O-N 3.02Å; L167-R169 VanDerWaalsContact C-N 3.33Å; L167-R169 PolarHBondContact O-N 2.83Å; L167-Y170 PolarHBondContact O-N 3.25Å; L167-L171 HydrophobicContact CD1-CD1 3.88Å; L167-L171 HydrophobicContact CD1-CD2 4.41Å; L167-L171 HydrophobicContact CD1-CG 3.92Å; L167-L171 HydrophobicContact CG-CD1 4.07Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.18Å; L167-L171 PolarHBondContact O-N 3.42Å
168R98.1Very high97.2Very high118 Ų11853.3 Ų53.345%0.44525%0.254SS..Hα-helixtrans-59.8-41.8175-71.9173.5-172.91734.7112.5G106 V164 W166 L171 E172G106-R168 VanDerWaalsContact O-CZ 3.24Å; G106-R168 PolarHBondContact O-NE 3.15Å; G106-R168 PolarHBondContact O-NH2 3.42Å; V164-R168 VanDerWaalsContact O-CG 3.27Å; V164-R168 WeakPolarHBondContact O-CG 3.28Å; V164-R168 PolarHBondContact O-N 3.22Å; W166-R168 PolarHBondContact O-N 3.05Å; R168-L171 PolarHBondContact O-N 2.82Å; R168-E172 PolarHBondContact O-N 3.23Å; R168-E172 VanDerWaalsContact O-N 3.15Å
169R97.9Very high96.9Very high118 Ų11854.4 Ų54.445%0.44526%0.262SS..Hα-helixtrans-62.1-42.8175.6179.2-179.6173.5106.1-6.8111.5E54 E165 W166 L167 E172 N173E54-R169 VanDerWaalsContact CD-NH2 3.31Å; E54-R169 IonicContact OE1-CZ 3.54Å; E54-R169 IonicContact OE1-NE 3.47Å; E54-R169 PolarHBondContact OE1-NE 3.28Å; E54-R169 IonicContact OE1-NH2 2.76Å; E54-R169 PolarHBondContact OE1-NH2 3.02Å; E54-R169 VanDerWaalsContact OE1-NH2 3.1Å; E54-R169 IonicContact OE2-CZ 2.68Å; E54-R169 IonicContact OE2-NE 3.39Å; E54-R169 IonicContact OE2-NH2 3.53Å; E54-R169 PolarHBondContact OE2-NH2 2.95Å; E165-R169 PolarHBondContact O-N 3.27Å; E165-R169 VanDerWaalsContact O-N 3.11Å; W166-R169 WeakPolarHBondContact O-CB 3.31Å; W166-R169 PolarHBondContact O-N 3.41Å; L167-R169 VanDerWaalsContact C-N 3.33Å; L167-R169 PolarHBondContact O-N 2.83Å; R169-E172 PolarHBondContact O-N 2.95Å; R169-N173 VanDerWaalsContact O-CB 3.22Å; R169-N173 WeakPolarHBondContact O-CB 3.47Å; R169-N173 PolarHBondContact O-N 3.17Å; R169-N173 PolarHBondContact O-OD1 3Å
170Y98.2Very high96.7Very high3 Ų359.6 Ų59.61%0.01228%0.281CS..Hα-helixtrans-67.8-38.8178.6-62.1-22.8000112.9M4 V27 F32 W50 I51 Y58 W166 L167 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.47Å; M4-Y170 WeakPolarHBondContact SD-CE2 3.45Å; V27-Y170 HydrophobicContact CG2-CD2 3.84Å; V27-Y170 HydrophobicContact CG2-CG 4.44Å; F32-Y170 HydrophobicContact CD2-CE2 4.28Å; F32-Y170 HydrophobicContact CE1-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.09Å; F32-Y170 AromaticContact CE2-CE2 3.44Å; F32-Y170 HydrophobicContact CE2-CE2 3.44Å; F32-Y170 VanDerWaalsContact CE2-CE2 3.44Å; F32-Y170 AromaticContact CE2-CZ 3.8Å; F32-Y170 HydrophobicContact CZ-CD2 4.13Å; F32-Y170 AromaticContact CZ-CE2 3.57Å; F32-Y170 HydrophobicContact CZ-CE2 3.57Å; W50-Y170 HydrophobicContact CE3-CD1 4.49Å; W50-Y170 HydrophobicContact CH2-CD2 4.4Å; W50-Y170 HydrophobicContact CH2-CG 4.12Å; W50-Y170 AromaticContact CZ3-CD1 3.78Å; W50-Y170 HydrophobicContact CZ3-CD1 3.78Å; W50-Y170 HydrophobicContact CZ3-CD2 4.23Å; W50-Y170 AromaticContact CZ3-CG 3.61Å; W50-Y170 HydrophobicContact CZ3-CG 3.61Å; I51-Y170 HydrophobicContact CD1-CD1 3.79Å; I51-Y170 HydrophobicContact CD1-CE1 3.25Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.48Å; Y58-Y170 PolarHBondContact OH-OH 2.8Å; W166-Y170 HydrophobicContact CB-CE2 4.16Å; W166-Y170 HydrophobicContact CE3-CD1 4.43Å; W166-Y170 AromaticContact CE3-CE1 3.46Å; W166-Y170 HydrophobicContact CE3-CE1 3.46Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.46Å; W166-Y170 AromaticContact CE3-CZ 3.56Å; W166-Y170 VanDerWaalsContact CE3-OH 3.28Å; W166-Y170 AromaticContact CZ3-CE1 3.98Å; W166-Y170 HydrophobicContact CZ3-CE1 3.98Å; W166-Y170 WeakPolarHBondContact O-CD2 3.38Å; W166-Y170 PolarHBondContact O-N 2.6Å; L167-Y170 PolarHBondContact O-N 3.25Å; Y170-N173 PolarHBondContact O-N 2.97Å; Y170-G174 WeakPolarHBondContact O-CA 3.42Å; Y170-G174 PolarHBondContact O-N 2.94Å; Y170-L178 WeakPolarHBondContact O-CD1 3.41Å
171L97.8Very high96.6Very high13 Ų1357 Ų577%0.06828%0.275CS..Hα-helixtrans-61.7-44.4174.7-69.2167000111.8H2 V27 L167 R168 K175 L178H2-L171 HydrophobicContact CB-CD1 3.69Å; H2-L171 HydrophobicContact CB-CD2 3.92Å; H2-L171 HydrophobicContact CB-CG 4.39Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; V27-L171 HydrophobicContact CG1-CD2 4.12Å; L167-L171 HydrophobicContact CD1-CD1 3.88Å; L167-L171 HydrophobicContact CD1-CD2 4.41Å; L167-L171 HydrophobicContact CD1-CG 3.92Å; L167-L171 HydrophobicContact CG-CD1 4.07Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.18Å; L167-L171 PolarHBondContact O-N 3.42Å; R168-L171 PolarHBondContact O-N 2.82Å; L171-K175 WeakPolarHBondContact O-CA 3.43Å; L171-K175 PolarHBondContact O-N 2.76Å; L171-L178 HydrophobicContact CD2-CB 4.07Å; L171-L178 HydrophobicContact CD2-CD1 4.28Å
172E97.2Very high96.6Very high124 Ų12457.9 Ų57.958%0.57927%0.274SS*.Hα-helixtrans-68.9-44.2175.9-171.261.7-165.200111.9R168 R169 G174 K175R168-E172 PolarHBondContact O-N 3.23Å; R168-E172 VanDerWaalsContact O-N 3.15Å; R169-E172 PolarHBondContact O-N 2.95Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 3.49Å; E172-K175 IonicContact OE2-NZ 2.76Å; E172-K175 PolarHBondContact OE2-NZ 2.97Å
173N97.2Very high96.6Very high50 Ų5058.1 Ų58.127%0.26728%0.277SS..Hα-helixtrans-60.9-35.8176.3-79.23.3000113W50 Q53 E54 R169 Y170W50-N173 WeakPolarHBondContact CB-O 3.44Å; Q53-N173 VanDerWaalsContact NE2-CG 3.34Å; E54-N173 PolarHBondContact OE1-ND2 3.01Å; R169-N173 VanDerWaalsContact O-CB 3.22Å; R169-N173 WeakPolarHBondContact O-CB 3.47Å; R169-N173 PolarHBondContact O-N 3.17Å; R169-N173 PolarHBondContact O-OD1 3Å; Y170-N173 PolarHBondContact O-N 2.97Å
174G96.4Very high96.6Very high4 Ų458.6 Ų58.64%0.04128%0.28CS..THydrogen-bonded Turntrans-106.211.3-173.900000114.6Y170 E172 D176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.42Å; Y170-G174 PolarHBondContact O-N 2.94Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 3.49Å; G174-D176 PolarHBondContact O-N 2.82Å; G174-T177 CarbonylContact O-C 3.53Å; G174-T177 WeakPolarHBondContact O-CA 3.45Å; G174-T177 PolarHBondContact O-N 3.03Å; G174-T177 PolarHBondContact O-OG1 2.95Å; G174-L178 PolarHBondContact O-N 3.43Å
175K95.1Very high96.6Very high82 Ų8265.6 Ų65.636%0.35731%0.31SS..Hα-helixtrans-44.6-53.8-166.3-159.3-169.3-158.1700115.2L171 E172 T177 L178 E179L171-K175 WeakPolarHBondContact O-CA 3.43Å; L171-K175 PolarHBondContact O-N 2.76Å; E172-K175 IonicContact OE2-NZ 2.76Å; E172-K175 PolarHBondContact OE2-NZ 2.97Å; K175-T177 CarbonylContact O-C 3.54Å; K175-T177 PolarHBondContact O-N 2.88Å; K175-L178 PolarHBondContact O-N 3.07Å; K175-E179 WeakPolarHBondContact CE-OE2 3.44Å; K175-E179 HydrophobicContact CG-CB 4.39Å; K175-E179 HydrophobicContact CG-CG 4.15Å; K175-E179 WeakPolarHBondContact CG-OE2 3.38Å; K175-E179 IonicContact NZ-OE1 2.62Å; K175-E179 PolarHBondContact NZ-OE1 3.22Å; K175-E179 IonicContact NZ-OE2 3.91Å; K175-E179 PolarHBondContact NZ-OE2 3.32Å; K175-E179 VanDerWaalsContact NZ-OE2 3.13Å; K175-E179 PolarHBondContact O-N 2.83Å; K175-E179 VanDerWaalsContact O-N 3.11Å
176D93.3Very high96.5Very high137 Ų13761.4 Ų61.473%0.73329%0.292SS*.Hα-helixtrans-58.4-17.9-179.7-65.9-18.6000113.9G174 R180G174-D176 PolarHBondContact O-N 2.82Å; D176-R180 PolarHBondContact O-NH1 2.8Å
177T92.5Very high96.5Very high44 Ų4462.9 Ų62.927%0.2730%0.301SS..Hα-helixtrans-102-69.7170.358.90000110.9G174 K175 E179 R180 R238G174-T177 CarbonylContact O-C 3.53Å; G174-T177 WeakPolarHBondContact O-CA 3.45Å; G174-T177 PolarHBondContact O-N 3.03Å; G174-T177 PolarHBondContact O-OG1 2.95Å; K175-T177 CarbonylContact O-C 3.54Å; K175-T177 PolarHBondContact O-N 2.88Å; T177-E179 PolarHBondContact O-N 2.88Å; T177-R180 WeakPolarHBondContact O-CB 3.44Å; T177-R180 PolarHBondContact O-N 3.39Å; T177-R238 PolarHBondContact O-NH1 2.97Å; T177-R238 PolarHBondContact O-NH2 3.45Å
178L93.1Very high96.5Very high4 Ų463.9 Ų63.92%0.02131%0.308CS..Hα-helixtrans-62.1-38.5-165.5-61.3172.4000114.3V27 T30 W50 Y170 L171 G174 K175 R180V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.23Å; V27-L178 HydrophobicContact CG1-CD1 3.9Å; V27-L178 HydrophobicContact CG1-CD2 4.14Å; T30-L178 HydrophobicContact CG2-CD2 4.15Å; W50-L178 HydrophobicContact CD2-CD1 4.46Å; W50-L178 HydrophobicContact CH2-CD1 4.28Å; W50-L178 HydrophobicContact CZ2-CD1 3.76Å; W50-L178 HydrophobicContact CZ2-CD2 4.06Å; W50-L178 HydrophobicContact CZ2-CG 4.32Å; Y170-L178 WeakPolarHBondContact O-CD1 3.41Å; L171-L178 HydrophobicContact CD2-CB 4.07Å; L171-L178 HydrophobicContact CD2-CD1 4.28Å; G174-L178 PolarHBondContact O-N 3.43Å; K175-L178 PolarHBondContact O-N 3.07Å; L178-R180 VanDerWaalsContact C-N 3.26Å; L178-R180 PolarHBondContact O-N 3.12Å
179E91.6Very high96.4Very high93 Ų9359.9 Ų59.944%0.43530%0.296SS..THydrogen-bonded Turntrans-83.3-0.9177.2-62-175.9178.600112.7K175 T177K175-E179 WeakPolarHBondContact CE-OE2 3.44Å; K175-E179 HydrophobicContact CG-CB 4.39Å; K175-E179 HydrophobicContact CG-CG 4.15Å; K175-E179 WeakPolarHBondContact CG-OE2 3.38Å; K175-E179 IonicContact NZ-OE1 2.62Å; K175-E179 PolarHBondContact NZ-OE1 3.22Å; K175-E179 IonicContact NZ-OE2 3.91Å; K175-E179 PolarHBondContact NZ-OE2 3.32Å; K175-E179 VanDerWaalsContact NZ-OE2 3.13Å; K175-E179 PolarHBondContact O-N 2.83Å; K175-E179 VanDerWaalsContact O-N 3.11Å; T177-E179 PolarHBondContact O-N 2.88Å
180R94.7Very high96.4Very high113 Ų11356.9 Ų56.943%0.42629%0.287SS..  trans-96.9109.5-178.6-164.3-174.479.8-1355.9111.8D176 T177 L178 D182 Y208D176-R180 PolarHBondContact O-NH1 2.8Å; T177-R180 WeakPolarHBondContact O-CB 3.44Å; T177-R180 PolarHBondContact O-N 3.39Å; L178-R180 VanDerWaalsContact C-N 3.26Å; L178-R180 PolarHBondContact O-N 3.12Å; R180-D182 IonicContact CZ-OD1 3.04Å; R180-D182 IonicContact CZ-OD2 3.46Å; R180-D182 IonicContact NE-OD1 2.74Å; R180-D182 PolarHBondContact NE-OD1 2.99Å; R180-D182 IonicContact NE-OD2 3.8Å; R180-D182 PolarHBondContact NE-OD2 3.24Å; R180-D182 IonicContact NH2-OD1 3.4Å; R180-D182 PolarHBondContact NH2-OD1 3.16Å; R180-D182 IonicContact NH2-OD2 3.13Å; R180-D182 PolarHBondContact NH2-OD2 3.42Å; R180-Y208 WeakPolarHBondContact O-CD1 3.35Å
181A96.7Very high96.2Very high32 Ų3260.7 Ų60.726%0.26431%0.305SS..PPolyproline II helixtrans-80.4122.3165.900000110.8Y208 E263A181-Y208 CarbonylContact C-O 3.54Å; A181-Y208 VanDerWaalsContact CA-O 3.22Å; A181-Y208 WeakPolarHBondContact CA-O 3.3Å; A181-E263 HydrophobicContact CB-CB 4.47Å; A181-E263 HydrophobicContact CB-CG 4.25Å
182D97.5Very high96Very high39 Ų3964.9 Ų64.921%0.20933%0.333CS..BIsolated β-bridgetrans-98.4118.9175.6-70.3-36.4000108.6R180 F207 Y208 H262R180-D182 IonicContact CZ-OD1 3.04Å; R180-D182 IonicContact CZ-OD2 3.46Å; R180-D182 IonicContact NE-OD1 2.74Å; R180-D182 PolarHBondContact NE-OD1 2.99Å; R180-D182 IonicContact NE-OD2 3.8Å; R180-D182 PolarHBondContact NE-OD2 3.24Å; R180-D182 IonicContact NH2-OD1 3.4Å; R180-D182 PolarHBondContact NH2-OD1 3.16Å; R180-D182 IonicContact NH2-OD2 3.13Å; R180-D182 PolarHBondContact NH2-OD2 3.42Å; D182-F207 CarbonylContact O-C 3.55Å; D182-F207 WeakPolarHBondContact O-CA 3.22Å; D182-F207 WeakPolarHBondContact O-CB 3.29Å; D182-Y208 PolarHBondContact N-O 2.88Å; D182-Y208 PolarHBondContact O-N 2.91Å; D182-H262 PolarHBondContact O-CE1 3.03Å; D182-H262 VanDerWaalsContact O-CE1 3.26Å
183P98.1Very high95.8Very high65 Ų6563.4 Ų63.442%0.42233%0.328SS..PPolyproline II helixtrans-74150.1-174.325.8-33.2000113.8K185 L265P183-K185 PolarHBondContact O-N 2.89Å; P183-L265 HydrophobicContact CB-CD2 3.92Å; P183-L265 HydrophobicContact CB-CG 4.48Å
184P98.4Very high95.6Very high9 Ų963.6 Ų63.66%0.05833%0.333CS..PPolyproline II helixtrans-67.4132.9-179.727.9-36000113T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.97Å; P184-T186 HydrophobicContact CG-CG2 4.12Å; P184-T186 PolarHBondContact O-N 3.22Å; P184-A204 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CB 3.9Å; P184-F207 HydrophobicContact CB-CD1 3.9Å; P184-F207 HydrophobicContact CB-CG 4.16Å; P184-I212 HydrophobicContact CB-CD1 4.07Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; P184-V260 HydrophobicContact CG-CG1 3.98Å; P184-H262 HydrophobicContact CG-CB 4.08Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.36Å; P184-L265 HydrophobicContact CG-CG 4.2Å
185K98.4Very high95.3Very high155 Ų15570.4 Ų70.467%0.67437%0.369SS*.EExtended strand (participates in β ladder)trans-78.2102.9164-64.8167.3-173.7163.70108P183 L205P183-K185 PolarHBondContact O-N 2.89Å; K185-L205 WeakPolarHBondContact CB-O 3.01Å; K185-L205 PolarHBondContact N-O 2.83Å; K185-L205 PolarHBondContact O-N 3.26Å; K185-L205 VanDerWaalsContact O-N 3.12Å
186T98.2Very high95.3Very high37 Ų3773.5 Ų73.523%0.22738%0.384CS..EExtended strand (participates in β ladder)trans-102.3138.7-172.9530000113P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.97Å; P184-T186 HydrophobicContact CG-CG2 4.12Å; P184-T186 PolarHBondContact O-N 3.22Å; T186-W203 WeakPolarHBondContact CA-O 3.49Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; T186-V260 HydrophobicContact CG2-CB 4.31Å; T186-V260 HydrophobicContact CG2-CG1 4.06Å; T186-V260 HydrophobicContact CG2-CG2 3.97Å; T186-L269 HydrophobicContact CG2-CD1 4.18Å; T186-L271 HydrophobicContact CG2-CD1 4.42Å
187H97.5Very high95.4Very high80 Ų8071.4 Ų71.437%0.3737%0.37SS..EExtended strand (participates in β ladder)trans-155.2157.8170.965.2-73.6000111.3W203H187-W203 VanDerWaalsContact CE1-CB 3.46Å; H187-W203 WeakPolarHBondContact CE1-CB 3.39Å; H187-W203 AromaticContact CE1-CD1 3.88Å; H187-W203 AromaticContact CE1-CG 3.7Å; H187-W203 PolarHBondContact N-O 3.15Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.84Å; H187-W203 PolarHBondContact O-N 3.4Å
188V98.2Very high95.6Very high22 Ų2269.4 Ų69.413%0.13336%0.357CS..EExtended strand (participates in β ladder)trans-109.8130.8176.11800000109.7L200 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.45Å; V188-L200 HydrophobicContact CG1-CD2 4.45Å; V188-C202 HydrophobicContact CG2-CB 4.33Å; V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.31Å; V188-W216 HydrophobicContact CG2-CH2 4.22Å; V188-L271 HydrophobicContact CG2-CB 3.8Å; V188-L271 HydrophobicContact CG2-CD2 4.47Å; V188-W273 HydrophobicContact CG1-CB 3.8Å
189T97.1Very high95.8Very high33 Ų3370.2 Ų70.220%0.20236%0.363CS..EExtended strand (participates in β ladder)trans-111.4144.2176.853.30000110.1H191 L200 R201 W203T189-H191 PolarHBondContact OG1-CE1 3.34Å; T189-L200 WeakPolarHBondContact O-CA 3.27Å; T189-R201 PolarHBondContact N-O 3.45Å; T189-R201 PolarHBondContact O-N 3.1Å; T189-R201 PolarHBondContact OG1-O 2.84Å; T189-W203 PolarHBondContact OG1-NE1 3.1Å; T189-W203 VanDerWaalsContact OG1-NE1 3.15Å
190H96.5Very high96.1Very high55 Ų5565.8 Ų65.826%0.25534%0.342SS..EExtended strand (participates in β ladder)trans-120.9127.4-177.4167.2-88000109.8A198 T199 L200 W273H190-A198 VanDerWaalsContact NE2-CB 3.26Å; H190-A198 WeakPolarHBondContact NE2-CB 3.44Å; H190-T199 WeakPolarHBondContact CA-O 3.33Å; H190-L200 HydrophobicContact CB-CD2 3.95Å; H190-W273 HydrophobicContact CB-CD2 4.02Å; H190-W273 VanDerWaalsContact CB-CE2 3.49Å; H190-W273 HydrophobicContact CB-CG 4.09Å; H190-W273 HydrophobicContact CB-CZ2 3.96Å; H190-W273 VanDerWaalsContact CB-NE1 3.3Å; H190-W273 AromaticContact CG-CE2 3.74Å; H190-W273 AromaticContact CG-CZ2 3.74Å; H190-W273 AromaticContact ND1-CZ2 3.91Å
191H95Very high96.3Very high84 Ų8462.6 Ų62.639%0.38933%0.33SS..EExtended strand (participates in β ladder)trans-129.9107.7-178.2-56.282.2000109.3T189 I193 A198 T199T189-H191 PolarHBondContact OG1-CE1 3.34Å; H191-I193 PolarHBondContact O-N 2.91Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 WeakPolarHBondContact O-CA 3.47Å; H191-T199 PolarHBondContact N-O 2.91Å; H191-T199 PolarHBondContact O-N 2.88Å
192P94.4Very high96.3Very high100 Ų10061 Ų6165%0.64932%0.317SS*.EExtended strand (participates in β ladder)trans-58133.9173.3-21.932.3000111.2
193I92.5Very high96.4Very high94 Ų9461.8 Ų61.848%0.48232%0.317SS..  trans-101.4-44.2173-50.2172.7000109.2H191 E197 T199 V247H191-I193 PolarHBondContact O-N 2.91Å; I193-E197 WeakPolarHBondContact CB-O 3.49Å; I193-E197 PolarHBondContact N-O 3.37Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.39Å; I193-V247 HydrophobicContact CD1-CG1 3.87Å; I193-V247 HydrophobicContact CD1-CG2 4.02Å
194S93Very high96.4Very high53 Ų5358.7 Ų58.737%0.37130%0.297SS..SBendtrans-147.9-179177.9720000110.2H196 E197S194-H196 PolarHBondContact O-N 2.9Å; S194-H196 PolarHBondContact OG-N 3.13Å; S194-H196 VanDerWaalsContact OG-N 3.14Å; S194-E197 PolarHBondContact N-O 2.79Å; S194-E197 PolarHBondContact OG-N 2.92Å
195D90.5Very high96.4Very high148 Ų14860.8 Ų60.879%0.79131%0.308SS*.SBendtrans-62.1-18.8171.6-63.8-26.8000112.7S250D195-S250 WeakPolarHBondContact O-CB 3.37Å; D195-S250 PolarHBondContact O-OG 3.19Å
196H93.6Very high96.4Very high146 Ų14654.4 Ų54.468%0.67629%0.286SS*.SBendtrans-107-16.4-173.9-54.6-39.8000114.3S194 P249 S250S194-H196 PolarHBondContact O-N 2.9Å; S194-H196 PolarHBondContact OG-N 3.13Å; S194-H196 VanDerWaalsContact OG-N 3.14Å; H196-P249 WeakPolarHBondContact O-CA 3.36Å; H196-S250 WeakPolarHBondContact CA-OG 3.48Å; H196-S250 PolarHBondContact O-N 3.17Å; H196-S250 PolarHBondContact O-OG 3.03Å
197E95.5Very high96.4Very high93 Ų9352.7 Ų52.744%0.43528%0.275SS..EExtended strand (participates in β ladder)trans-145.6144.5-170.9-66-179.4159.300112.9I193 S194 V247 V248 S250I193-E197 WeakPolarHBondContact CB-O 3.49Å; I193-E197 PolarHBondContact N-O 3.37Å; S194-E197 PolarHBondContact N-O 2.79Å; S194-E197 PolarHBondContact OG-N 2.92Å; E197-V247 HydrophobicContact CB-CG1 4.09Å; E197-V247 HydrophobicContact CG-CG1 4.33Å; E197-V248 WeakPolarHBondContact CA-O 3.38Å; E197-S250 PolarHBondContact N-OG 3.03Å
198A96.3Very high96.4Very high2 Ų249.1 Ų49.12%0.01726%0.258CS..EExtended strand (participates in β ladder)trans-134.3153.3172.500000111.6H190 H191 V247 V248H190-A198 VanDerWaalsContact NE2-CB 3.26Å; H190-A198 WeakPolarHBondContact NE2-CB 3.44Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 WeakPolarHBondContact O-CA 3.47Å; A198-V247 WeakPolarHBondContact O-CA 3.26Å; A198-V248 HydrophobicContact CB-CG2 4.5Å; A198-V248 PolarHBondContact N-O 3.03Å; A198-V248 PolarHBondContact O-N 3.14Å
199T97.6Very high96.4Very high22 Ų2248.9 Ų48.914%0.13526%0.258CS..EExtended strand (participates in β ladder)trans-89.7120.9167-49.10000110.1H190 H191 I193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.33Å; H191-T199 PolarHBondContact N-O 2.91Å; H191-T199 PolarHBondContact O-N 2.88Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.39Å; T199-A245 HydrophobicContact CG2-CB 3.83Å; T199-V246 WeakPolarHBondContact CA-O 3.1Å
200L98.1Very high96.4Very high0 Ų048 Ų480%025%0.253CS..EExtended strand (participates in β ladder)trans-90.5122.7160.6-63.8-174.2000109V188 T189 H190 W216 A245 V246 V248 E253 W273V188-L200 HydrophobicContact CG1-CB 4.45Å; V188-L200 HydrophobicContact CG1-CD2 4.45Å; T189-L200 WeakPolarHBondContact O-CA 3.27Å; H190-L200 HydrophobicContact CB-CD2 3.95Å; L200-W216 HydrophobicContact CB-CH2 3.7Å; L200-W216 HydrophobicContact CB-CZ2 3.75Å; L200-W216 HydrophobicContact CB-CZ3 4.5Å; L200-W216 HydrophobicContact CD1-CH2 4Å; L200-W216 HydrophobicContact CD1-CZ3 4.19Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; L200-A245 CarbonylContact O-C 3.54Å; L200-A245 WeakPolarHBondContact O-CA 3.42Å; L200-V246 HydrophobicContact CB-CG1 4.26Å; L200-V246 PolarHBondContact N-O 2.81Å; L200-V246 PolarHBondContact O-N 3.37Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.13Å; L200-V248 HydrophobicContact CG-CG1 4.07Å; L200-V248 HydrophobicContact CG-CG2 3.87Å; L200-E253 HydrophobicContact CD1-CB 4.09Å; L200-E253 HydrophobicContact CD2-CB 4.44Å; L200-E253 HydrophobicContact CD2-CG 4.35Å; L200-W273 HydrophobicContact CD1-CB 4.41Å; L200-W273 HydrophobicContact CD2-CB 3.8Å; L200-W273 HydrophobicContact CD2-CD2 4.4Å; L200-W273 HydrophobicContact CD2-CG 3.99Å
201R98.3Very high96.4Very high45 Ų4552.2 Ų52.217%0.1727%0.273CS..EExtended strand (participates in β ladder)trans-119.9114.5175.4-179.3180-64.5104.64.4110.7T189 W203 W243 A244 A245T189-R201 PolarHBondContact N-O 3.45Å; T189-R201 PolarHBondContact O-N 3.1Å; T189-R201 PolarHBondContact OG1-O 2.84Å; R201-W203 HydrophobicContact CG-CZ2 4.47Å; R201-W243 HydrophobicContact CG-CB 4.01Å; R201-W243 HydrophobicContact CG-CD2 4.05Å; R201-W243 HydrophobicContact CG-CE3 3.82Å; R201-W243 HydrophobicContact CG-CG 4.18Å; R201-A244 WeakPolarHBondContact CA-O 3.42Å; R201-A245 HydrophobicContact CB-CB 3.92Å; R201-A245 HydrophobicContact CG-CB 4.06Å
202C98.4Very high96.6Very high0 Ų048.7 Ų48.70%026%0.257CS..EExtended strand (participates in β ladder)trans-88.1123.4175-173.80000109.4V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.33Å; C202-W216 HydrophobicContact CB-CH2 4.42Å; C202-W216 HydrophobicContact CB-CZ2 3.6Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.42Å; C202-W243 WeakPolarHBondContact O-CB 3.41Å; C202-A244 PolarHBondContact N-O 2.88Å; C202-A244 PolarHBondContact O-N 2.91Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.27Å; C202-C258 WeakPolarHBondContact SG-CB 3.4Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.92Å
203W98.5Very high96.8Very high54 Ų5446.8 Ų46.821%0.20524%0.244CC..EExtended strand (participates in β ladder)trans-105.7143.4179.5-6889000110.9T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.49Å; H187-W203 VanDerWaalsContact CE1-CB 3.46Å; H187-W203 WeakPolarHBondContact CE1-CB 3.39Å; H187-W203 AromaticContact CE1-CD1 3.88Å; H187-W203 AromaticContact CE1-CG 3.7Å; H187-W203 PolarHBondContact N-O 3.15Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.84Å; H187-W203 PolarHBondContact O-N 3.4Å; T189-W203 PolarHBondContact OG1-NE1 3.1Å; T189-W203 VanDerWaalsContact OG1-NE1 3.15Å; R201-W203 HydrophobicContact CG-CZ2 4.47Å; W203-L205 HydrophobicContact CB-CG 4.48Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; W203-L205 HydrophobicContact CZ3-CD2 4.48Å; W203-W243 HydrophobicContact CD2-CB 3.97Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.88Å; W203-W243 AromaticContact CE3-CD1 3.75Å; W203-W243 HydrophobicContact CE3-CG 4.12Å; W203-W243 HydrophobicContact CG-CB 4.36Å; W203-W243 AromaticContact CH2-CD1 3.69Å; W203-W243 HydrophobicContact CH2-CG 4.35Å; W203-W243 HydrophobicContact CZ3-CB 4.37Å; W203-W243 AromaticContact CZ3-CD1 3.35Å; W203-W243 HydrophobicContact CZ3-CG 4.09Å
204A98.6Very high97.1Very high0 Ų042.6 Ų42.60%022%0.222CC..EExtended strand (participates in β ladder)trans-123.1125.8160.500000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.84Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.78Å; A204-F207 WeakPolarHBondContact O-CE1 3.46Å; A204-I212 HydrophobicContact CB-CD1 3.7Å; A204-L214 HydrophobicContact CB-CD1 4.02Å; A204-L214 HydrophobicContact CB-CD2 4.22Å; A204-Q241 WeakPolarHBondContact O-CA 3.29Å; A204-K242 PolarHBondContact N-O 2.86Å; A204-K242 PolarHBondContact O-N 2.88Å; A204-K242 VanDerWaalsContact O-O 3.05Å
205L98.4Very high97.3Very high54 Ų5441.9 Ų41.928%0.28322%0.216SC..EExtended strand (participates in β ladder)trans-133.2145.6-175.2-60176.9000111.1K185 W203 Q241K185-L205 WeakPolarHBondContact CB-O 3.01Å; K185-L205 PolarHBondContact N-O 2.83Å; K185-L205 PolarHBondContact O-N 3.26Å; K185-L205 VanDerWaalsContact O-N 3.12Å; W203-L205 HydrophobicContact CB-CG 4.48Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; W203-L205 HydrophobicContact CZ3-CD2 4.48Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å
206G97.9Very high97.7Very high21 Ų2135 Ų3522%0.21618%0.178CC..EExtended strand (participates in β ladder)trans73.430.8167.600000114.4T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.39Å; G206-F240 PolarHBondContact N-O 2.88Å
207F98.3Very high97.9Very high0 Ų029.8 Ų29.80%016%0.155CC..EExtended strand (participates in β ladder)trans-104.5157.4-178.459.4-90.2000113.4D182 P184 A204 P209 I212 T232 T239 F240 K242 H262D182-F207 CarbonylContact O-C 3.55Å; D182-F207 WeakPolarHBondContact O-CA 3.22Å; D182-F207 WeakPolarHBondContact O-CB 3.29Å; P184-F207 HydrophobicContact CB-CB 3.9Å; P184-F207 HydrophobicContact CB-CD1 3.9Å; P184-F207 HydrophobicContact CB-CG 4.16Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.78Å; A204-F207 WeakPolarHBondContact O-CE1 3.46Å; F207-P209 WeakPolarHBondContact CD2-O 3.43Å; F207-I212 HydrophobicContact CD1-CD1 3.9Å; F207-I212 HydrophobicContact CD2-CB 4.35Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE2-CB 3.8Å; F207-I212 HydrophobicContact CE2-CD1 3.86Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.6Å; F207-I212 HydrophobicContact CG-CD1 4Å; F207-I212 HydrophobicContact CZ-CB 4.19Å; F207-I212 HydrophobicContact CZ-CD1 3.79Å; F207-I212 HydrophobicContact CZ-CG2 3.58Å; F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.91Å; F207-T239 CarbonylContact O-C 3.46Å; F207-T239 WeakPolarHBondContact O-CA 3.11Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.39Å; F207-F240 HydrophobicContact CD2-CB 3.92Å; F207-F240 HydrophobicContact CE1-CB 4.32Å; F207-F240 WeakPolarHBondContact CE1-O 3.32Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CG-CB 4.48Å; F207-F240 HydrophobicContact CZ-CB 3.68Å; F207-F240 PolarHBondContact N-O 2.97Å; F207-F240 PolarHBondContact O-N 2.86Å; F207-K242 HydrophobicContact CE1-CB 4.42Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; F207-H262 AromaticContact CD2-CD2 3.89Å; F207-H262 AromaticContact CD2-NE2 3.7Å
208Y97.8Very high98Very high5 Ų528.7 Ų28.72%0.0215%0.146CC..BIsolated β-bridgetrans-152137.5171.9179.3-82.2000109D29 T30 R180 A181 D182 R238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.77Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.15Å; T30-Y208 PolarHBondContact OG1-OH 3.3Å; R180-Y208 WeakPolarHBondContact O-CD1 3.35Å; A181-Y208 CarbonylContact C-O 3.54Å; A181-Y208 VanDerWaalsContact CA-O 3.22Å; A181-Y208 WeakPolarHBondContact CA-O 3.3Å; D182-Y208 PolarHBondContact N-O 2.88Å; D182-Y208 PolarHBondContact O-N 2.91Å; Y208-R238 HydrophobicContact CD2-CG 3.88Å; Y208-R238 HydrophobicContact CE2-CG 4.1Å; Y208-F240 HydrophobicContact CD2-CD2 4.44Å; Y208-F240 HydrophobicContact CD2-CE2 4.04Å; Y208-F240 HydrophobicContact CE2-CE2 4.44Å; Y208-H262 PolarHBondContact O-CE1 2.73Å
209P97.4Very high97.9Very high18 Ų1833.4 Ų33.412%0.11717%0.172CC..SBendcis-69.6178.40.929.8-36.7000113.2D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.12Å; F207-P209 WeakPolarHBondContact CD2-O 3.43Å; P209-E211 VanDerWaalsContact C-N 3.33Å; P209-H262 PolarHBondContact O-NE2 2.8Å
210A97.6Very high97.7Very high13 Ų1334.6 Ų34.611%0.10719%0.188CC..SBendtrans-71-24.8-177.300000113.8D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.33Å; D29-A210 VanDerWaalsContact CG-CB 3.49Å; D29-A210 WeakPolarHBondContact OD2-CB 3.47Å; D29-A210 PolarHBondContact OD2-N 2.85Å; A210-I212 PolarHBondContact O-N 2.87Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.73Å; A210-F240 HydrophobicContact CB-CE1 3.77Å; A210-F240 HydrophobicContact CB-CE2 3.74Å; A210-F240 HydrophobicContact CB-CG 3.76Å; A210-F240 HydrophobicContact CB-CZ 3.77Å
211E97.7Very high97.6Very high145 Ų14541.7 Ų41.768%0.67822%0.221SC*.  trans-64.7116.5179.6-174.652.3-136.500110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.33Å; E211-H262 PolarHBondContact O-CD2 2.88Å; E211-H262 VanDerWaalsContact O-CD2 3.24Å
212I98.3Very high97.4Very high10 Ų1044 Ų445%0.05124%0.237CC..  trans-154.1136.8-176-163.3172000110.4P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.07Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; A204-I212 HydrophobicContact CB-CD1 3.7Å; F207-I212 HydrophobicContact CD1-CD1 3.9Å; F207-I212 HydrophobicContact CD2-CB 4.35Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE2-CB 3.8Å; F207-I212 HydrophobicContact CE2-CD1 3.86Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.6Å; F207-I212 HydrophobicContact CG-CD1 4Å; F207-I212 HydrophobicContact CZ-CB 4.19Å; F207-I212 HydrophobicContact CZ-CD1 3.79Å; F207-I212 HydrophobicContact CZ-CG2 3.58Å; A210-I212 PolarHBondContact O-N 2.87Å; I212-L214 HydrophobicContact CD1-CD1 3.69Å; I212-L214 HydrophobicContact CG1-CD1 3.68Å; I212-L214 HydrophobicContact CG2-CD1 4.17Å; I212-K242 HydrophobicContact CG2-CB 4.27Å; I212-K242 HydrophobicContact CG2-CD 3.57Å; I212-V260 HydrophobicContact CD1-CG1 4.07Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; I212-Q261 WeakPolarHBondContact CG1-O 3.46Å; I212-H262 HydrophobicContact CD1-CB 4.3Å; I212-H262 HydrophobicContact CG1-CB 4.07Å
213T98.2Very high97.3Very high59 Ų5945.2 Ų45.236%0.36224%0.242SC..EExtended strand (participates in β ladder)trans-107.7122.8173.9-630000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.06Å; T213-V260 WeakPolarHBondContact O-CA 3.39Å; T213-Q261 PolarHBondContact N-O 3.28Å; T213-Q261 PolarHBondContact O-N 3.5Å
214L98.2Very high96.9Very high7 Ų747.6 Ų47.64%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-117.9122.3171-8862.3000108.1A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.02Å; A204-L214 HydrophobicContact CB-CD2 4.22Å; I212-L214 HydrophobicContact CD1-CD1 3.69Å; I212-L214 HydrophobicContact CG1-CD1 3.68Å; I212-L214 HydrophobicContact CG2-CD1 4.17Å; L214-L229 HydrophobicContact CB-CD1 4.16Å; L214-K242 HydrophobicContact CD1-CD 4.33Å; L214-K242 HydrophobicContact CD2-CB 4.36Å; L214-K242 HydrophobicContact CD2-CG 4.43Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.29Å; L214-H259 WeakPolarHBondContact CA-O 3.42Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CD1-CG2 4.47Å; L214-V260 HydrophobicContact CG-CG2 4.29Å
215T97.9Very high96.4Very high38 Ų3856.6 Ų56.623%0.23331%0.305CS..EExtended strand (participates in β ladder)trans-130.4149.6173.659.30000111.5T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.06Å; T215-C258 CarbonylContact O-C 3.6Å; T215-C258 WeakPolarHBondContact O-CA 3.37Å; T215-H259 PolarHBondContact N-O 2.62Å; T215-H259 PolarHBondContact O-N 2.82Å
216W98.3Very high95.9Very high2 Ų259.4 Ų59.41%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-102.8137167.7-83107.5000110V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.31Å; V188-W216 HydrophobicContact CG2-CH2 4.22Å; L200-W216 HydrophobicContact CB-CH2 3.7Å; L200-W216 HydrophobicContact CB-CZ2 3.75Å; L200-W216 HydrophobicContact CB-CZ3 4.5Å; L200-W216 HydrophobicContact CD1-CH2 4Å; L200-W216 HydrophobicContact CD1-CZ3 4.19Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; C202-W216 HydrophobicContact CB-CH2 4.42Å; C202-W216 HydrophobicContact CB-CZ2 3.6Å; W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 3.21Å; W216-A244 PolarHBondContact NE1-O 3.33Å; W216-V246 HydrophobicContact CB-CG1 4.3Å; W216-V246 HydrophobicContact CD2-CG1 3.6Å; W216-V246 HydrophobicContact CE3-CG1 4.07Å; W216-V246 HydrophobicContact CG-CB 4.15Å; W216-V246 HydrophobicContact CG-CG1 3.71Å; W216-V246 HydrophobicContact CZ2-CG1 4.34Å; W216-T257 WeakPolarHBondContact CA-O 3.29Å; W216-C258 HydrophobicContact CD2-CB 4.13Å; W216-C258 HydrophobicContact CE3-CB 4.03Å; W216-C258 HydrophobicContact CH2-CB 3.96Å; W216-C258 HydrophobicContact CZ2-CB 4.07Å; W216-C258 HydrophobicContact CZ3-CB 3.94Å
217Q98.1Very high95.7Very high37 Ų3759.6 Ų59.617%0.17332%0.317CS..EExtended strand (participates in β ladder)trans-122.8142.6171.8-73-176-9.500110.8E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.49Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.46Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.45Å; Q217-D222 PolarHBondContact NE2-OD1 2.93Å; Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.47Å; Q217-T257 PolarHBondContact N-O 3.06Å; Q217-T257 PolarHBondContact O-N 3.28Å; Q217-H259 VanDerWaalsContact CB-NE2 3.27Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.4Å; Q217-H259 PolarHBondContact OE1-NE2 2.87Å
218R97.4Very high95.6Very high70 Ų7065 Ų6526%0.26434%0.343SS..EExtended strand (participates in β ladder)trans-112.6117.5169.1-174.2-171.7-172.31781.5108.2G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 3Å; R218-E221 PolarHBondContact N-O 2.9Å; R218-E221 PolarHBondContact O-N 3.11Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; R218-E252 IonicContact CZ-OE2 3.23Å; R218-E252 IonicContact NE-OE2 2.74Å; R218-E252 IonicContact NH2-OE1 3.58Å; R218-E252 PolarHBondContact NH2-OE1 3.4Å; R218-E252 IonicContact NH2-OE2 3.59Å; R218-E252 PolarHBondContact NH2-OE2 2.61Å; R218-R255 WeakPolarHBondContact CA-O 3.07Å; R218-R255 HydrophobicContact CG-CB 4.35Å; R218-Y256 HydrophobicContact CB-CD1 4.06Å; R218-Y256 HydrophobicContact CB-CE1 3.85Å; R218-Y256 WeakPolarHBondContact CD-OH 3.45Å; R218-Y256 HydrophobicContact CG-CD1 4.38Å; R218-Y256 HydrophobicContact CG-CD2 4.47Å; R218-Y256 HydrophobicContact CG-CE1 3.99Å; R218-Y256 HydrophobicContact CG-CE2 4.06Å; R218-Y256 PolarHBondContact NE-OH 3.07Å
219D95.6Very high95.6Very high102 Ų10269.1 Ų69.155%0.54537%0.365SS..THydrogen-bonded Turntrans52.120.1-175.3-52.2-53.9000115.4R255D219-R255 PolarHBondContact N-O 2.97Å; D219-R255 WeakPolarHBondContact OD1-CB 3.45Å; D219-R255 IonicContact OD1-NE 3.37Å; D219-R255 PolarHBondContact OD1-NE 2.92Å; D219-R255 IonicContact OD2-CZ 2.71Å; D219-R255 IonicContact OD2-NE 3.55Å; D219-R255 PolarHBondContact OD2-NE 3.44Å; D219-R255 IonicContact OD2-NH2 3.1Å; D219-R255 PolarHBondContact OD2-NH2 3.32Å
220G92.1Very high95.6Very high46 Ų4669.9 Ų69.947%0.47437%0.369SS..THydrogen-bonded Turntrans102.7-5-176.700000115.5R218R218-G220 PolarHBondContact O-N 3Å
221E95.9Very high95.5Very high149 Ų14977.4 Ų77.470%0.69640%0.402SS*.EExtended strand (participates in β ladder)trans-95.6126.7177-62.2-173.8167.600111.6Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.49Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.46Å; R218-E221 PolarHBondContact N-O 2.9Å; R218-E221 PolarHBondContact O-N 3.11Å; E221-Q223 PolarHBondContact O-N 2.89Å; E221-Q223 PolarHBondContact O-NE2 3.38Å
222D95.8Very high95.5Very high94 Ų9472.6 Ų72.650%0.50338%0.382SS..EExtended strand (participates in β ladder)trans-63130.3-179.2-69.8-31.4000112.3Q217 T224Q217-D222 WeakPolarHBondContact CG-OD1 3.45Å; Q217-D222 PolarHBondContact NE2-OD1 2.93Å; D222-T224 PolarHBondContact O-N 3.24Å
223Q95.2Very high95.5Very high25 Ų2577 Ų7712%0.11740%0.398CS..  trans-99.538.2-176.4-55.5-62.4-83.400112.1W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 3.21Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; E221-Q223 PolarHBondContact O-N 2.89Å; E221-Q223 PolarHBondContact O-NE2 3.38Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.48Å; Q223-D226 PolarHBondContact O-N 3.5Å; Q223-T227 WeakPolarHBondContact O-CB 3.16Å; Q223-T227 PolarHBondContact O-N 3.12Å; Q223-T227 VanDerWaalsContact O-N 3.08Å; Q223-T227 PolarHBondContact O-OG1 2.97Å; Q223-Y256 HydrophobicContact CG-CE1 4.33Å
224T89.3Confident95.5Very high105 Ų10578.5 Ų78.564%0.64441%0.409SS*.THydrogen-bonded Turntrans-61.1-31.4-166.8-50.80000114.4D222D222-T224 PolarHBondContact O-N 3.24Å
225Q89.3Confident95.4Very high188 Ų18880.6 Ų80.688%0.87943%0.428SS*.THydrogen-bonded Turntrans-79.1-32.4179.3-64.3-173.411.300112.8Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.48Å
226D87.5Confident95.1Very high114 Ų11482.5 Ų82.561%0.6145%0.454SS*.THydrogen-bonded Turntrans-93.52.8-178.3-52.2-69.3000112.7Q223Q223-D226 PolarHBondContact O-N 3.5Å
227T94.3Very high94.9Very high24 Ų2487.4 Ų87.415%0.14748%0.481CS..EExtended strand (participates in β ladder)trans-95.9116.7179.5-63.90000111.4Q223 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.16Å; Q223-T227 PolarHBondContact O-N 3.12Å; Q223-T227 VanDerWaalsContact O-N 3.08Å; Q223-T227 PolarHBondContact O-OG1 2.97Å; T227-L229 HydrophobicContact CG2-CB 4.37Å; T227-L229 PolarHBondContact O-N 2.77Å; T227-A244 HydrophobicContact CG2-CB 3.93Å; T227-A245 CarbonylContact C-O 3.56Å; T227-A245 VanDerWaalsContact CA-O 3.3Å; T227-A245 WeakPolarHBondContact CA-O 3.43Å
228E96.5Very high94.6Very high114 Ų11488.5 Ų88.553%0.53348%0.483SS..EExtended strand (participates in β ladder)trans-73.5104.2163.5-174.4-172.4-161.200109.1W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.26Å; E228-W243 HydrophobicContact CG-CH2 3.94Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 VanDerWaalsContact OE2-CH2 3.28Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.27Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.33Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.41Å; E228-A245 HydrophobicContact CB-CB 4.37Å; E228-A245 PolarHBondContact N-O 2.73Å; E228-A245 PolarHBondContact O-N 3.09Å
229L96.8Very high94.6Very high92 Ų9286 Ų8648%0.48248%0.476SS..EExtended strand (participates in β ladder)trans-110.4118.9178.5-174.869.8000110.2L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.16Å; T227-L229 HydrophobicContact CG2-CB 4.37Å; T227-L229 PolarHBondContact O-N 2.77Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; L229-A244 HydrophobicContact CD1-CB 3.71Å
230V96.7Very high94.7Very high34 Ų3482.3 Ų82.321%0.20646%0.455CS..PPolyproline II helixtrans-83.3153.6175.2-64.90000112.5K242 W243V230-K242 HydrophobicContact CG2-CG 4.45Å; V230-K242 WeakPolarHBondContact O-CE 3.44Å; V230-K242 WeakPolarHBondContact O-CG 3.42Å; V230-K242 PolarHBondContact O-NZ 3Å; V230-W243 HydrophobicContact CG1-CD2 4.04Å; V230-W243 VanDerWaalsContact CG1-CE2 3.48Å; V230-W243 HydrophobicContact CG1-CE3 4.34Å; V230-W243 HydrophobicContact CG1-CH2 3.7Å; V230-W243 HydrophobicContact CG1-CZ2 3.32Å; V230-W243 HydrophobicContact CG1-CZ3 4.17Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.78Å; V230-W243 HydrophobicContact CG2-CZ2 4.48Å; V230-W243 WeakPolarHBondContact CG2-O 3.26Å; V230-W243 PolarHBondContact N-O 2.99Å
231E97Very high95Very high171 Ų17182.2 Ų82.280%0.79944%0.442SS*.PPolyproline II helixtrans-55148.7166.1-67.7-176.4170.900111.3R233E231-R233 PolarHBondContact O-N 3.15Å
232T98Very high95.1Very high44 Ų4476.1 Ų76.127%0.2741%0.414SS..PPolyproline II helixtrans-71.7126.6174.7-55.70000108.2F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.91Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; T232-F240 HydrophobicContact CG2-CB 3.84Å; T232-F240 HydrophobicContact CG2-CD1 3.97Å; T232-F240 HydrophobicContact CG2-CG 4.18Å; T232-K242 WeakPolarHBondContact OG1-CD 3.04Å; T232-K242 PolarHBondContact OG1-NZ 2.98Å
233R97.4Very high95.3Very high102 Ų10272.9 Ų72.939%0.38539%0.394SS..EExtended strand (participates in β ladder)trans-123.2144.8-174.670.4-166.5-176.8-171.42.5111.3E231 Q241E231-R233 PolarHBondContact O-N 3.15Å; R233-Q241 HydrophobicContact CG-CG 3.67Å; R233-Q241 PolarHBondContact N-O 2.54Å; R233-Q241 VanDerWaalsContact NE-OE1 3.09Å; R233-Q241 VanDerWaalsContact O-CG 3.31Å; R233-Q241 WeakPolarHBondContact O-CG 3.09Å; R233-Q241 PolarHBondContact O-N 3.02Å
234P97.3Very high95.4Very high90 Ų9071.7 Ų71.758%0.58439%0.389SS*.EExtended strand (participates in β ladder)trans-67151177.328.2-34.8000111.3F240 Q241P234-F240 HydrophobicContact CB-CD1 4.43Å; P234-F240 HydrophobicContact CB-CE1 4.18Å; P234-Q241 PolarHBondContact O-NE2 2.88Å
235A96.5Very high95.8Very high52 Ų5266.8 Ų66.843%0.4336%0.359SS..  trans-92.9-16.4170.200000112.8D237 T239 Q241A235-D237 WeakPolarHBondContact CB-OD1 3.43Å; A235-T239 WeakPolarHBondContact CB-O 3.37Å; A235-T239 PolarHBondContact N-O 3.22Å; A235-Q241 HydrophobicContact CB-CG 4.48Å
236G92.9Very high96.2Very high77 Ų7758 Ų5879%0.79432%0.318SS*.SBendtrans95.7-5.118000000114.7
237D92.6Very high96.7Very high105 Ų10556 Ų5656%0.56131%0.309SS*.SBendtrans-113.933.2-179.765.3-5.5000112.1A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.43Å; D237-T239 PolarHBondContact O-N 3.1Å; D237-T239 WeakPolarHBondContact OD1-CB 3.45Å; D237-T239 PolarHBondContact OD1-N 3.25Å; D237-T239 PolarHBondContact OD1-OG1 3.03Å
238R92.4Very high96.8Very high61 Ų6154.9 Ų54.923%0.2330%0.303CS..SBendtrans69.3-21.1-165.8-179.3-177.7172.9-124.3-6.1115.2T30 T177 Y208 F240T30-R238 PolarHBondContact OG1-NE 3.01Å; T177-R238 PolarHBondContact O-NH1 2.97Å; T177-R238 PolarHBondContact O-NH2 3.45Å; Y208-R238 HydrophobicContact CD2-CG 3.88Å; Y208-R238 HydrophobicContact CE2-CG 4.1Å; R238-F240 WeakPolarHBondContact O-CE2 3.11Å
239T97.1Very high96.8Very high17 Ų1751.6 Ų51.610%0.10429%0.292CS..  trans-84.2166.8-178.377.40000113.4G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.39Å; F207-T239 CarbonylContact O-C 3.46Å; F207-T239 WeakPolarHBondContact O-CA 3.11Å; A235-T239 WeakPolarHBondContact CB-O 3.37Å; A235-T239 PolarHBondContact N-O 3.22Å; D237-T239 PolarHBondContact O-N 3.1Å; D237-T239 WeakPolarHBondContact OD1-CB 3.45Å; D237-T239 PolarHBondContact OD1-N 3.25Å; D237-T239 PolarHBondContact OD1-OG1 3.03Å
240F98.4Very high96.7Very high25 Ų2550 Ų5011%0.1129%0.288CS..EExtended strand (participates in β ladder)trans-117.5163.6-179.9-66-86.4000112.2D29 G206 F207 Y208 A210 T232 P234 R238D29-F240 HydrophobicContact CB-CE2 3.71Å; D29-F240 HydrophobicContact CB-CZ 3.75Å; G206-F240 PolarHBondContact N-O 2.88Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.39Å; F207-F240 HydrophobicContact CD2-CB 3.92Å; F207-F240 HydrophobicContact CE1-CB 4.32Å; F207-F240 WeakPolarHBondContact CE1-O 3.32Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CG-CB 4.48Å; F207-F240 HydrophobicContact CZ-CB 3.68Å; F207-F240 PolarHBondContact N-O 2.97Å; F207-F240 PolarHBondContact O-N 2.86Å; Y208-F240 HydrophobicContact CD2-CD2 4.44Å; Y208-F240 HydrophobicContact CD2-CE2 4.04Å; Y208-F240 HydrophobicContact CE2-CE2 4.44Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.73Å; A210-F240 HydrophobicContact CB-CE1 3.77Å; A210-F240 HydrophobicContact CB-CE2 3.74Å; A210-F240 HydrophobicContact CB-CG 3.76Å; A210-F240 HydrophobicContact CB-CZ 3.77Å; T232-F240 HydrophobicContact CG2-CB 3.84Å; T232-F240 HydrophobicContact CG2-CD1 3.97Å; T232-F240 HydrophobicContact CG2-CG 4.18Å; P234-F240 HydrophobicContact CB-CD1 4.43Å; P234-F240 HydrophobicContact CB-CE1 4.18Å; R238-F240 WeakPolarHBondContact O-CE2 3.11Å
241Q98.3Very high96.4Very high43 Ų4351.5 Ų51.520%0.20131%0.311CS..EExtended strand (participates in β ladder)trans-142.9143.3176.438.9163.2-22.100110A204 L205 R233 P234 A235A204-Q241 WeakPolarHBondContact O-CA 3.29Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å; R233-Q241 HydrophobicContact CG-CG 3.67Å; R233-Q241 PolarHBondContact N-O 2.54Å; R233-Q241 VanDerWaalsContact NE-OE1 3.09Å; R233-Q241 VanDerWaalsContact O-CG 3.31Å; R233-Q241 WeakPolarHBondContact O-CG 3.09Å; R233-Q241 PolarHBondContact O-N 3.02Å; P234-Q241 PolarHBondContact O-NE2 2.88Å; A235-Q241 HydrophobicContact CB-CG 4.48Å
242K98.6Very high96.4Very high22 Ų2245.9 Ų45.910%0.09628%0.284CS..EExtended strand (participates in β ladder)trans-149.3156.7177.2-160.7-175.5-169.6660109A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.86Å; A204-K242 PolarHBondContact O-N 2.88Å; A204-K242 VanDerWaalsContact O-O 3.05Å; F207-K242 HydrophobicContact CE1-CB 4.42Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.27Å; I212-K242 HydrophobicContact CG2-CD 3.57Å; L214-K242 HydrophobicContact CD1-CD 4.33Å; L214-K242 HydrophobicContact CD2-CB 4.36Å; L214-K242 HydrophobicContact CD2-CG 4.43Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; V230-K242 HydrophobicContact CG2-CG 4.45Å; V230-K242 WeakPolarHBondContact O-CE 3.44Å; V230-K242 WeakPolarHBondContact O-CG 3.42Å; V230-K242 PolarHBondContact O-NZ 3Å; T232-K242 WeakPolarHBondContact OG1-CD 3.04Å; T232-K242 PolarHBondContact OG1-NZ 2.98Å
243W98.4Very high96.3Very high25 Ų2544.8 Ų44.810%0.09528%0.276CS..EExtended strand (participates in β ladder)trans-145.2156.8168.357.4-97.5000111.6R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.01Å; R201-W243 HydrophobicContact CG-CD2 4.05Å; R201-W243 HydrophobicContact CG-CE3 3.82Å; R201-W243 HydrophobicContact CG-CG 4.18Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.42Å; C202-W243 WeakPolarHBondContact O-CB 3.41Å; W203-W243 HydrophobicContact CD2-CB 3.97Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.88Å; W203-W243 AromaticContact CE3-CD1 3.75Å; W203-W243 HydrophobicContact CE3-CG 4.12Å; W203-W243 HydrophobicContact CG-CB 4.36Å; W203-W243 AromaticContact CH2-CD1 3.69Å; W203-W243 HydrophobicContact CH2-CG 4.35Å; W203-W243 HydrophobicContact CZ3-CB 4.37Å; W203-W243 AromaticContact CZ3-CD1 3.35Å; W203-W243 HydrophobicContact CZ3-CG 4.09Å; E228-W243 HydrophobicContact CB-CZ3 4.26Å; E228-W243 HydrophobicContact CG-CH2 3.94Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 VanDerWaalsContact OE2-CH2 3.28Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.27Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.33Å; V230-W243 HydrophobicContact CG1-CD2 4.04Å; V230-W243 VanDerWaalsContact CG1-CE2 3.48Å; V230-W243 HydrophobicContact CG1-CE3 4.34Å; V230-W243 HydrophobicContact CG1-CH2 3.7Å; V230-W243 HydrophobicContact CG1-CZ2 3.32Å; V230-W243 HydrophobicContact CG1-CZ3 4.17Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.78Å; V230-W243 HydrophobicContact CG2-CZ2 4.48Å; V230-W243 WeakPolarHBondContact CG2-O 3.26Å; V230-W243 PolarHBondContact N-O 2.99Å; W243-A245 HydrophobicContact CE3-CB 3.91Å; W243-A245 HydrophobicContact CZ3-CB 3.63Å
244A98.3Very high96.2Very high0 Ų044.2 Ų44.20%028%0.278CS..EExtended strand (participates in β ladder)trans-127.4131172.900000108.2R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.42Å; C202-A244 PolarHBondContact N-O 2.88Å; C202-A244 PolarHBondContact O-N 2.91Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.29Å; W216-A244 PolarHBondContact NE1-O 3.33Å; T227-A244 HydrophobicContact CG2-CB 3.93Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.41Å; L229-A244 HydrophobicContact CD1-CB 3.71Å
245A98.1Very high96.1Very high2 Ų244.8 Ų44.82%0.01727%0.268CS..EExtended strand (participates in β ladder)trans-123.9145.4178.800000112T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.83Å; L200-A245 CarbonylContact O-C 3.54Å; L200-A245 WeakPolarHBondContact O-CA 3.42Å; R201-A245 HydrophobicContact CB-CB 3.92Å; R201-A245 HydrophobicContact CG-CB 4.06Å; T227-A245 CarbonylContact C-O 3.56Å; T227-A245 VanDerWaalsContact CA-O 3.3Å; T227-A245 WeakPolarHBondContact CA-O 3.43Å; E228-A245 HydrophobicContact CB-CB 4.37Å; E228-A245 PolarHBondContact N-O 2.73Å; E228-A245 PolarHBondContact O-N 3.09Å; W243-A245 HydrophobicContact CE3-CB 3.91Å; W243-A245 HydrophobicContact CZ3-CB 3.63Å
246V97.9Very high96.2Very high3 Ų342.6 Ų42.62%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-136.2142.7176.462.60000109T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.1Å; L200-V246 HydrophobicContact CB-CG1 4.26Å; L200-V246 PolarHBondContact N-O 2.81Å; L200-V246 PolarHBondContact O-N 3.37Å; W216-V246 HydrophobicContact CB-CG1 4.3Å; W216-V246 HydrophobicContact CD2-CG1 3.6Å; W216-V246 HydrophobicContact CE3-CG1 4.07Å; W216-V246 HydrophobicContact CG-CB 4.15Å; W216-V246 HydrophobicContact CG-CG1 3.71Å; W216-V246 HydrophobicContact CZ2-CG1 4.34Å; V246-V248 HydrophobicContact CG1-CG1 3.85Å; V246-Y256 HydrophobicContact CG1-CD1 4.07Å; V246-Y256 HydrophobicContact CG1-CE1 4.48Å; V246-Y256 HydrophobicContact CG2-CD1 4.45Å; V246-Y256 HydrophobicContact CG2-CE1 4.11Å
247V97.6Very high96.4Very high72 Ų7239.4 Ų39.444%0.43621%0.214SC..EExtended strand (participates in β ladder)trans-85.3129.3171.4-178.80000108.3I193 E197 A198I193-V247 HydrophobicContact CD1-CG1 3.87Å; I193-V247 HydrophobicContact CD1-CG2 4.02Å; E197-V247 HydrophobicContact CB-CG1 4.09Å; E197-V247 HydrophobicContact CG-CG1 4.33Å; A198-V247 WeakPolarHBondContact O-CA 3.26Å
248V96.6Very high96.7Very high1 Ų134.4 Ų34.41%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-127.2145.7-176.2-50.50000110.6E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.38Å; A198-V248 HydrophobicContact CB-CG2 4.5Å; A198-V248 PolarHBondContact N-O 3.03Å; A198-V248 PolarHBondContact O-N 3.14Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.13Å; L200-V248 HydrophobicContact CG-CG1 4.07Å; L200-V248 HydrophobicContact CG-CG2 3.87Å; V246-V248 HydrophobicContact CG1-CG1 3.85Å; V248-E253 HydrophobicContact CG2-CG 3.91Å; V248-Y256 HydrophobicContact CB-CD2 3.98Å; V248-Y256 HydrophobicContact CB-CE2 3.66Å; V248-Y256 HydrophobicContact CG1-CD1 3.75Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.55Å; V248-Y256 HydrophobicContact CG1-CG 3.68Å
249P96.6Very high97Very high46 Ų4634 Ų3430%0.29919%0.187SC..EExtended strand (participates in β ladder)trans-63.4140.9170.3-19.832.2000111.7H196 G251 E252H196-P249 WeakPolarHBondContact O-CA 3.36Å; P249-G251 PolarHBondContact O-N 2.84Å; P249-E252 HydrophobicContact CB-CB 4.28Å; P249-E252 HydrophobicContact CB-CG 4.1Å; P249-E252 HydrophobicContact CG-CG 4.45Å; P249-E252 WeakPolarHBondContact O-CB 3.35Å; P249-E252 PolarHBondContact O-N 3.33Å
250S93.4Very high97Very high58 Ų5833.1 Ų33.141%0.40618%0.183SC..THydrogen-bonded Turntrans-54.7126174.9-63.40000111.4D195 H196 E197D195-S250 WeakPolarHBondContact O-CB 3.37Å; D195-S250 PolarHBondContact O-OG 3.19Å; H196-S250 WeakPolarHBondContact CA-OG 3.48Å; H196-S250 PolarHBondContact O-N 3.17Å; H196-S250 PolarHBondContact O-OG 3.03Å; E197-S250 PolarHBondContact N-OG 3.03Å
251G92.1Very high97.1Very high66 Ų6636.8 Ų36.868%0.6820%0.2SC*.THydrogen-bonded Turntrans87.2-4.7-177.900000115.1P249 E253P249-G251 PolarHBondContact O-N 2.84Å; G251-E253 WeakPolarHBondContact CA-OE2 3.48Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 3.22Å; G251-E253 PolarHBondContact N-OE2 3.03Å
252E95.7Very high97.1Very high53 Ų5335.6 Ų35.625%0.24819%0.194CC..  trans-97.40.9174.9-69.4-155.8-146.100113.9R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.23Å; R218-E252 IonicContact NE-OE2 2.74Å; R218-E252 IonicContact NH2-OE1 3.58Å; R218-E252 PolarHBondContact NH2-OE1 3.4Å; R218-E252 IonicContact NH2-OE2 3.59Å; R218-E252 PolarHBondContact NH2-OE2 2.61Å; P249-E252 HydrophobicContact CB-CB 4.28Å; P249-E252 HydrophobicContact CB-CG 4.1Å; P249-E252 HydrophobicContact CG-CG 4.45Å; P249-E252 WeakPolarHBondContact O-CB 3.35Å; P249-E252 PolarHBondContact O-N 3.33Å; E252-Q254 PolarHBondContact O-N 2.81Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.2Å; E252-R255 PolarHBondContact O-N 3.05Å; E252-R255 IonicContact OE1-NH1 2.79Å; E252-R255 VanDerWaalsContact OE2-CD 3.31Å; E252-R255 WeakPolarHBondContact OE2-CD 3.3Å; E252-R255 IonicContact OE2-CZ 3.11Å; E252-R255 IonicContact OE2-NE 2.66Å; E252-R255 IonicContact OE2-NH1 2.65Å; E252-R255 PolarHBondContact OE2-NH1 3.11Å; E252-Y256 HydrophobicContact CB-CE2 4.34Å; E252-Y256 WeakPolarHBondContact O-CD2 3.46Å
253E95.3Very high96.9Very high20 Ų2041.2 Ų41.29%0.09322%0.221CC..G310 helixtrans-57.2-30.6-168.3-53.881.1-175.300113.2L200 V248 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.09Å; L200-E253 HydrophobicContact CD2-CB 4.44Å; L200-E253 HydrophobicContact CD2-CG 4.35Å; V248-E253 HydrophobicContact CG2-CG 3.91Å; G251-E253 WeakPolarHBondContact CA-OE2 3.48Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 3.22Å; G251-E253 PolarHBondContact N-OE2 3.03Å; E253-R255 VanDerWaalsContact C-N 3.3Å; E253-R255 PolarHBondContact O-N 2.7Å; E253-Y256 PolarHBondContact O-N 2.8Å; E253-W273 HydrophobicContact CB-CD2 4.48Å; E253-W273 HydrophobicContact CB-CE3 3.46Å; E253-W273 VanDerWaalsContact CB-CE3 3.46Å; E253-W273 HydrophobicContact CB-CZ3 3.91Å; E253-W273 HydrophobicContact CG-CE3 3.69Å; E253-W273 HydrophobicContact CG-CZ3 3.73Å
254Q95.4Very high96.8Very high90 Ų9040.9 Ų40.942%0.42123%0.226SC..G310 helixtrans-74-17-179.7-61.5-56.6-44.600114.2E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 2.81Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å; Q254-R272 PolarHBondContact O-NE 3.02Å; Q254-W273 PolarHBondContact NE2-O 2.84Å
255R96.8Very high96.8Very high103 Ų10342.1 Ų42.139%0.38923%0.232SC..G310 helixtrans-73.1-21.2171.4-62.5174.570.2173.96111.9R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.07Å; R218-R255 HydrophobicContact CG-CB 4.35Å; D219-R255 PolarHBondContact N-O 2.97Å; D219-R255 WeakPolarHBondContact OD1-CB 3.45Å; D219-R255 IonicContact OD1-NE 3.37Å; D219-R255 PolarHBondContact OD1-NE 2.92Å; D219-R255 IonicContact OD2-CZ 2.71Å; D219-R255 IonicContact OD2-NE 3.55Å; D219-R255 PolarHBondContact OD2-NE 3.44Å; D219-R255 IonicContact OD2-NH2 3.1Å; D219-R255 PolarHBondContact OD2-NH2 3.32Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.2Å; E252-R255 PolarHBondContact O-N 3.05Å; E252-R255 IonicContact OE1-NH1 2.79Å; E252-R255 VanDerWaalsContact OE2-CD 3.31Å; E252-R255 WeakPolarHBondContact OE2-CD 3.3Å; E252-R255 IonicContact OE2-CZ 3.11Å; E252-R255 IonicContact OE2-NE 2.66Å; E252-R255 IonicContact OE2-NH1 2.65Å; E252-R255 PolarHBondContact OE2-NH1 3.11Å; E253-R255 VanDerWaalsContact C-N 3.3Å; E253-R255 PolarHBondContact O-N 2.7Å
256Y97.7Very high96.8Very high6 Ų648.3 Ų48.32%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-92133.1-177.8-67.7-98.2000111.3Q217 R218 Q223 V246 V248 E252 E253 Q254Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.47Å; R218-Y256 HydrophobicContact CB-CD1 4.06Å; R218-Y256 HydrophobicContact CB-CE1 3.85Å; R218-Y256 WeakPolarHBondContact CD-OH 3.45Å; R218-Y256 HydrophobicContact CG-CD1 4.38Å; R218-Y256 HydrophobicContact CG-CD2 4.47Å; R218-Y256 HydrophobicContact CG-CE1 3.99Å; R218-Y256 HydrophobicContact CG-CE2 4.06Å; R218-Y256 PolarHBondContact NE-OH 3.07Å; Q223-Y256 HydrophobicContact CG-CE1 4.33Å; V246-Y256 HydrophobicContact CG1-CD1 4.07Å; V246-Y256 HydrophobicContact CG1-CE1 4.48Å; V246-Y256 HydrophobicContact CG2-CD1 4.45Å; V246-Y256 HydrophobicContact CG2-CE1 4.11Å; V248-Y256 HydrophobicContact CB-CD2 3.98Å; V248-Y256 HydrophobicContact CB-CE2 3.66Å; V248-Y256 HydrophobicContact CG1-CD1 3.75Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.55Å; V248-Y256 HydrophobicContact CG1-CG 3.68Å; E252-Y256 HydrophobicContact CB-CE2 4.34Å; E252-Y256 WeakPolarHBondContact O-CD2 3.46Å; E253-Y256 PolarHBondContact O-N 2.8Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å
257T98Very high96.7Very high9 Ų955.4 Ų55.46%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-129.1130.6176.646.60000110.5W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.29Å; Q217-T257 PolarHBondContact N-O 3.06Å; Q217-T257 PolarHBondContact O-N 3.28Å; T257-H259 WeakPolarHBondContact CB-NE2 3.39Å; T257-H259 PolarHBondContact OG1-NE2 3.49Å; T257-T270 HydrophobicContact CG2-CG2 3.89Å; T257-L271 CarbonylContact C-O 3.54Å; T257-L271 VanDerWaalsContact CA-O 3.32Å; T257-L271 WeakPolarHBondContact CA-O 3.38Å; T257-R272 HydrophobicContact CG2-CG 3.73Å
258C98.3Very high96.7Very high0 Ų055.6 Ų55.60%031%0.305CS..EExtended strand (participates in β ladder)trans-91129.1170.3173.90000109.1C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.27Å; C202-C258 WeakPolarHBondContact SG-CB 3.4Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.92Å; T215-C258 CarbonylContact O-C 3.6Å; T215-C258 WeakPolarHBondContact O-CA 3.37Å; W216-C258 HydrophobicContact CD2-CB 4.13Å; W216-C258 HydrophobicContact CE3-CB 4.03Å; W216-C258 HydrophobicContact CH2-CB 3.96Å; W216-C258 HydrophobicContact CZ2-CB 4.07Å; W216-C258 HydrophobicContact CZ3-CB 3.94Å; C258-T270 CarbonylContact O-C 3.57Å; C258-T270 WeakPolarHBondContact O-CA 3.2Å; C258-L271 HydrophobicContact CB-CB 4.39Å; C258-L271 PolarHBondContact N-O 2.94Å; C258-L271 PolarHBondContact O-N 2.82Å
259H98.2Very high96.8Very high52 Ų5258 Ų5824%0.24132%0.318CS..EExtended strand (participates in β ladder)trans-109133.6175.7-63.8-102.9000109.8L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.42Å; T215-H259 PolarHBondContact N-O 2.62Å; T215-H259 PolarHBondContact O-N 2.82Å; Q217-H259 VanDerWaalsContact CB-NE2 3.27Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.4Å; Q217-H259 PolarHBondContact OE1-NE2 2.87Å; T257-H259 WeakPolarHBondContact CB-NE2 3.39Å; T257-H259 PolarHBondContact OG1-NE2 3.49Å; H259-L269 CarbonylContact C-O 3.58Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.47Å; H259-T270 PolarHBondContact CE1-OG1 3.24Å; H259-T270 PolarHBondContact ND1-OG1 2.92Å; H259-T270 VanDerWaalsContact ND1-OG1 3.15Å
260V98.5Very high96.8Very high0 Ų059.6 Ų59.60%033%0.327CS..EExtended strand (participates in β ladder)trans-126.5121.8-177.5-174.90000109.5P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.98Å; T186-V260 HydrophobicContact CG2-CB 4.31Å; T186-V260 HydrophobicContact CG2-CG1 4.06Å; T186-V260 HydrophobicContact CG2-CG2 3.97Å; I212-V260 HydrophobicContact CD1-CG1 4.07Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; T213-V260 WeakPolarHBondContact O-CA 3.39Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CD1-CG2 4.47Å; L214-V260 HydrophobicContact CG-CG2 4.29Å; V260-L265 HydrophobicContact CG1-CD1 4.18Å; V260-P268 WeakPolarHBondContact O-CA 3.43Å; V260-L269 HydrophobicContact CB-CB 4.38Å; V260-L269 PolarHBondContact N-O 3.22Å; V260-L269 PolarHBondContact O-N 2.92Å; V260-L271 HydrophobicContact CG2-CD1 3.88Å
261Q98.5Very high97Very high102 Ų10258.1 Ų58.148%0.47731%0.314SS..EExtended strand (participates in β ladder)trans-118.3129.9174.4-46.7-175.325.300109.3I212 T213 P268I212-Q261 WeakPolarHBondContact CG1-O 3.46Å; T213-Q261 PolarHBondContact N-O 3.28Å; T213-Q261 PolarHBondContact O-N 3.5Å; Q261-P268 HydrophobicContact CG-CB 4.18Å; Q261-P268 HydrophobicContact CG-CG 4.2Å
262H98.3Very high97.2Very high18 Ų1861.7 Ų61.78%0.08331%0.307CS..  trans-157.5148.2-177.4-175.3-102.1000109.4D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.03Å; D182-H262 VanDerWaalsContact O-CE1 3.26Å; P184-H262 HydrophobicContact CG-CB 4.08Å; F207-H262 AromaticContact CD2-CD2 3.89Å; F207-H262 AromaticContact CD2-NE2 3.7Å; Y208-H262 PolarHBondContact O-CE1 2.73Å; P209-H262 PolarHBondContact O-NE2 2.8Å; E211-H262 PolarHBondContact O-CD2 2.88Å; E211-H262 VanDerWaalsContact O-CD2 3.24Å; I212-H262 HydrophobicContact CD1-CB 4.3Å; I212-H262 HydrophobicContact CG1-CB 4.07Å; H262-G264 VanDerWaalsContact C-N 3.28Å; H262-G264 PolarHBondContact ND1-N 3.47Å; H262-G264 PolarHBondContact O-N 2.73Å; H262-L265 HydrophobicContact CB-CD1 3.92Å; H262-L265 HydrophobicContact CB-CG 4.11Å; H262-L265 WeakPolarHBondContact O-CB 3.48Å; H262-L265 PolarHBondContact O-N 3.23Å
263E96.3Very high97.3Very high139 Ų13961.4 Ų61.465%0.6530%0.304SS*.THydrogen-bonded Turntrans-60.9-33.6-178.1-177.1171.2-170.800113.4A181 L265A181-E263 HydrophobicContact CB-CB 4.47Å; A181-E263 HydrophobicContact CB-CG 4.25Å; E263-L265 PolarHBondContact O-N 3.15Å
264G96.1Very high97Very high19 Ų1968.5 Ų68.520%0.19634%0.337CS..THydrogen-bonded Turntrans-71.2-8.7176.900000114.4H262H262-G264 VanDerWaalsContact C-N 3.28Å; H262-G264 PolarHBondContact ND1-N 3.47Å; H262-G264 PolarHBondContact O-N 2.73Å
265L97.9Very high96.4Very high26 Ų2668 Ų6814%0.13634%0.341CS..  trans-95.4124.3-179.9-65.3172.4000111.1P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.92Å; P183-L265 HydrophobicContact CB-CG 4.48Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.36Å; P184-L265 HydrophobicContact CG-CG 4.2Å; V260-L265 HydrophobicContact CG1-CD1 4.18Å; H262-L265 HydrophobicContact CB-CD1 3.92Å; H262-L265 HydrophobicContact CB-CG 4.11Å; H262-L265 WeakPolarHBondContact O-CB 3.48Å; H262-L265 PolarHBondContact O-N 3.23Å; E263-L265 PolarHBondContact O-N 3.15Å; L265-K267 WeakPolarHBondContact CB-O 3.45Å; L265-K267 PolarHBondContact O-N 2.96Å; L265-K267 VanDerWaalsContact O-N 3.14Å; L265-L269 HydrophobicContact CD1-CD1 4.08Å; L265-L269 HydrophobicContact CD1-CG 3.96Å; L265-L269 HydrophobicContact CD2-CD1 3.73Å; L265-L269 HydrophobicContact CD2-CG 3.99Å
266P96.8Very high94.9Very high132 Ų13268 Ų6886%0.85736%0.357SS*.SBendtrans-68.4-14.4177.929.4-36.2000113.3
267K97.1Very high92.6Very high152 Ų15273.3 Ų73.366%0.66140%0.395SS*.SBendtrans-156.5151.5170.260.7178.4-177.8175.60108.8L265L265-K267 WeakPolarHBondContact CB-O 3.45Å; L265-K267 PolarHBondContact O-N 2.96Å; L265-K267 VanDerWaalsContact O-N 3.14Å
268P97.6Very high90.1Very high75 Ų7580.8 Ų80.849%0.48743%0.43SS..  trans-51.2143.3171.5-28.636.7000112.5V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.43Å; Q261-P268 HydrophobicContact CG-CB 4.18Å; Q261-P268 HydrophobicContact CG-CG 4.2Å
269L97.9Very high87.4Confident52 Ų5285.4 Ų85.427%0.27246%0.462SS..EExtended strand (participates in β ladder)trans-94.9141.8173.2-62.8177.9000109.9T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.18Å; H259-L269 CarbonylContact C-O 3.58Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.47Å; V260-L269 HydrophobicContact CB-CB 4.38Å; V260-L269 PolarHBondContact N-O 3.22Å; V260-L269 PolarHBondContact O-N 2.92Å; L265-L269 HydrophobicContact CD1-CD1 4.08Å; L265-L269 HydrophobicContact CD1-CG 3.96Å; L265-L269 HydrophobicContact CD2-CD1 3.73Å; L265-L269 HydrophobicContact CD2-CG 3.99Å; L269-L271 HydrophobicContact CB-CD1 4.06Å
270T98Very high84.9Confident79 Ų7988.8 Ų88.849%0.48549%0.486SS..EExtended strand (participates in β ladder)trans-121117.2170.2-54.40000108T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.89Å; C258-T270 CarbonylContact O-C 3.57Å; C258-T270 WeakPolarHBondContact O-CA 3.2Å; H259-T270 PolarHBondContact CE1-OG1 3.24Å; H259-T270 PolarHBondContact ND1-OG1 2.92Å; H259-T270 VanDerWaalsContact ND1-OG1 3.15Å
271L97.4Very high82.7Confident28 Ų2892.4 Ų92.415%0.14751%0.509CS..EExtended strand (participates in β ladder)trans-110.3143.9-179-6297.9000110.8T186 V188 T257 C258 V260 L269T186-L271 HydrophobicContact CG2-CD1 4.42Å; V188-L271 HydrophobicContact CG2-CB 3.8Å; V188-L271 HydrophobicContact CG2-CD2 4.47Å; T257-L271 CarbonylContact C-O 3.54Å; T257-L271 VanDerWaalsContact CA-O 3.32Å; T257-L271 WeakPolarHBondContact CA-O 3.38Å; C258-L271 HydrophobicContact CB-CB 4.39Å; C258-L271 PolarHBondContact N-O 2.94Å; C258-L271 PolarHBondContact O-N 2.82Å; V260-L271 HydrophobicContact CG2-CD1 3.88Å; L269-L271 HydrophobicContact CB-CD1 4.06Å
272R96.4Very high80.5Confident141 Ų14191.6 Ų91.653%0.53251%0.512SS..  trans-110.6166.3161.8-72.2-170.2171.498.25.5109.3Q254 T257 E274Q254-R272 PolarHBondContact O-NE 3.02Å; T257-R272 HydrophobicContact CG2-CG 3.73Å; R272-E274 PolarHBondContact O-N 3.31Å
273W96.1Very high78.6Confident46 Ų4696.6 Ų96.617%0.17454%0.538CS..PPolyproline II helixtrans-70.5119.3162.4171.455.3000109.8V188 H190 L200 E253 Q254 P275V188-W273 HydrophobicContact CG1-CB 3.8Å; H190-W273 HydrophobicContact CB-CD2 4.02Å; H190-W273 VanDerWaalsContact CB-CE2 3.49Å; H190-W273 HydrophobicContact CB-CG 4.09Å; H190-W273 HydrophobicContact CB-CZ2 3.96Å; H190-W273 VanDerWaalsContact CB-NE1 3.3Å; H190-W273 AromaticContact CG-CE2 3.74Å; H190-W273 AromaticContact CG-CZ2 3.74Å; H190-W273 AromaticContact ND1-CZ2 3.91Å; L200-W273 HydrophobicContact CD1-CB 4.41Å; L200-W273 HydrophobicContact CD2-CB 3.8Å; L200-W273 HydrophobicContact CD2-CD2 4.4Å; L200-W273 HydrophobicContact CD2-CG 3.99Å; E253-W273 HydrophobicContact CB-CD2 4.48Å; E253-W273 HydrophobicContact CB-CE3 3.46Å; E253-W273 VanDerWaalsContact CB-CE3 3.46Å; E253-W273 HydrophobicContact CB-CZ3 3.91Å; E253-W273 HydrophobicContact CG-CE3 3.69Å; E253-W273 HydrophobicContact CG-CZ3 3.73Å; Q254-W273 PolarHBondContact NE2-O 2.84Å; W273-P275 HydrophobicContact CD2-CG 4.4Å; W273-P275 HydrophobicContact CE3-CG 4.19Å; W273-P275 HydrophobicContact CH2-CB 4.11Å; W273-P275 HydrophobicContact CH2-CG 3.85Å; W273-P275 HydrophobicContact CZ2-CB 3.9Å; W273-P275 HydrophobicContact CZ2-CG 3.99Å; W273-P275 HydrophobicContact CZ3-CG 3.94Å
274E90.4Very high76.8Confident169 Ų16995.8 Ų95.879%0.7954%0.542SS*.PPolyproline II helixtrans-93.2118.3165.7-67.6-176.2171.200108.2R272 S276R272-E274 PolarHBondContact O-N 3.31Å; E274-S276 PolarHBondContact O-N 2.81Å; E274-S276 VanDerWaalsContact O-N 3.12Å
275P82.6Confident75.2Confident79 Ų7997 Ų9751%0.51356%0.555SS.*PPolyproline II helixtrans-56.2121.6169.5-20.931.7000107.9W273 S277W273-P275 HydrophobicContact CD2-CG 4.4Å; W273-P275 HydrophobicContact CE3-CG 4.19Å; W273-P275 HydrophobicContact CH2-CB 4.11Å; W273-P275 HydrophobicContact CH2-CG 3.85Å; W273-P275 HydrophobicContact CZ2-CB 3.9Å; W273-P275 HydrophobicContact CZ2-CG 3.99Å; W273-P275 HydrophobicContact CZ3-CG 3.94Å; P275-S277 PolarHBondContact O-N 3.23Å
276S64.7Low73.9Confident104 Ų104100.3 Ų100.373%0.72757%0.572SS**  trans-58.4112.7-175.746.90000108.9E274 Q278E274-S276 PolarHBondContact O-N 2.81Å; E274-S276 VanDerWaalsContact O-N 3.12Å; S276-Q278 PolarHBondContact O-N 2.88Å
277S48.8Very low72.8Confident117 Ų11798.3 Ų98.382%0.81856%0.557SS**  trans-68.779.8164.654.40000107.3P275 S279P275-S277 PolarHBondContact O-N 3.23Å; S277-S279 PolarHBondContact O-N 2.8Å
278Q46.1Very low71.6Confident166 Ų16693.5 Ų93.578%0.77655%0.546SS*.  trans-54.496.1147.4-75.5-169.1-6.900104.6S276 T280S276-Q278 PolarHBondContact O-N 2.88Å; Q278-T280 PolarHBondContact O-N 2.81Å
279S41Very low70.8Confident97 Ų9791.7 Ų91.768%0.67854%0.54SS*.  trans-61.698.4169.8-1740000104.7S277 V281S277-S279 PolarHBondContact O-N 2.8Å; S279-V281 PolarHBondContact O-N 3.12Å
280T46.5Very low70Confident123 Ų12394.5 Ų94.576%0.75556%0.555SS**  trans-68.566.9163.3-46.60000106.4Q278 P282Q278-T280 PolarHBondContact O-N 2.81Å; T280-P282 WeakPolarHBondContact O-CD 3.27Å; T280-P282 VanDerWaalsContact O-N 3.08Å
281V51.4Low69.2Low77 Ų7793.3 Ų93.347%0.46755%0.553SS.*  trans-44.1120.2156.4177.10000103.8S279 I283 I286S279-V281 PolarHBondContact O-N 3.12Å; V281-I283 PolarHBondContact O-N 3.31Å; V281-I286 HydrophobicContact CG1-CD1 4.11Å
282P53Low68.5Low84 Ų8496.5 Ų96.555%0.54557%0.574SS.*  trans-74.281-170.228.1-34.3000108.4T280 V284 G285 I286T280-P282 WeakPolarHBondContact O-CD 3.27Å; T280-P282 VanDerWaalsContact O-N 3.08Å; P282-V284 PolarHBondContact O-N 2.84Å; P282-G285 WeakPolarHBondContact O-CA 3.44Å; P282-G285 PolarHBondContact O-N 2.88Å; P282-I286 PolarHBondContact O-N 2.96Å
283I58.9Low68Low123 Ų12394.9 Ų94.963%0.63158%0.575SS**Hα-helixtrans-54.7-37.2174.9-66.2167.6000108.5V281 G285 I286 V287V281-I283 PolarHBondContact O-N 3.31Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 2.99Å; I283-I286 PolarHBondContact O-N 2.79Å; I283-V287 HydrophobicContact CG2-CG2 4.24Å; I283-V287 WeakPolarHBondContact O-CB 3.31Å; I283-V287 VanDerWaalsContact O-CG2 3.25Å; I283-V287 WeakPolarHBondContact O-CG2 3.26Å; I283-V287 PolarHBondContact O-N 3.43Å
284V58.5Low67.3Low123 Ų12395.1 Ų95.175%0.74559%0.587SS**Hα-helixtrans-56.6-43.2170.5-176.90000112.4P282 A288P282-V284 PolarHBondContact O-N 2.84Å; V284-A288 WeakPolarHBondContact O-CB 3.08Å; V284-A288 PolarHBondContact O-N 3.38Å
285G62.9Low67Low45 Ų4592 Ų9246%0.46458%0.579SS.*Hα-helixtrans-68.9-39.2177.900000113.1P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.44Å; P282-G285 PolarHBondContact O-N 2.88Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 2.99Å; G285-G289 PolarHBondContact O-N 3.17Å
286I70.6Confident67.1Low95 Ų9592.7 Ų92.749%0.48758%0.581SS.*Hα-helixtrans-67-46175.5-61.8173.3000110.4V281 P282 I283 G289 L290V281-I286 HydrophobicContact CG1-CD1 4.11Å; P282-I286 PolarHBondContact O-N 2.96Å; I283-I286 PolarHBondContact O-N 2.79Å; I286-G289 PolarHBondContact O-N 3.25Å; I286-L290 HydrophobicContact CG2-CD1 3.98Å; I286-L290 WeakPolarHBondContact O-CB 3.42Å; I286-L290 WeakPolarHBondContact O-CG 3.44Å; I286-L290 PolarHBondContact O-N 3.2Å
287V72.9Confident68Low89 Ų8991.9 Ų91.954%0.53957%0.572SS.*Hα-helixtrans-63.7-43177.6170.80000111.4I283 L290 A291I283-V287 HydrophobicContact CG2-CG2 4.24Å; I283-V287 WeakPolarHBondContact O-CB 3.31Å; I283-V287 VanDerWaalsContact O-CG2 3.25Å; I283-V287 WeakPolarHBondContact O-CG2 3.26Å; I283-V287 PolarHBondContact O-N 3.43Å; V287-L290 PolarHBondContact O-N 3.2Å; V287-A291 WeakPolarHBondContact O-CB 3.43Å; V287-A291 PolarHBondContact O-N 3.19Å
288A72.5Confident69.6Low52 Ų5291.4 Ų91.443%0.4356%0.559SS.*Hα-helixtrans-62.8-44.3174.900000112V284 A291 V292V284-A288 WeakPolarHBondContact O-CB 3.08Å; V284-A288 PolarHBondContact O-N 3.38Å; A288-A291 PolarHBondContact O-N 3.18Å; A288-V292 WeakPolarHBondContact O-CG2 3.34Å; A288-V292 PolarHBondContact O-N 3.15Å
289G79.1Confident71.3Confident36 Ų3685.5 Ų85.537%0.37154%0.543SS..Hα-helixtrans-61.1-44.1176.500000113G285 I286 V292 L293G285-G289 PolarHBondContact O-N 3.17Å; I286-G289 PolarHBondContact O-N 3.25Å; G289-V292 PolarHBondContact O-N 3.26Å; G289-L293 WeakPolarHBondContact O-CB 3.28Å; G289-L293 PolarHBondContact O-N 2.87Å
290L83.1Confident73.1Confident111 Ų11183.8 Ų83.858%0.58153%0.534SS*.Hα-helixtrans-65.9-39.6176.3-72171.5000112.4I286 V287 L293 A294I286-L290 HydrophobicContact CG2-CD1 3.98Å; I286-L290 WeakPolarHBondContact O-CB 3.42Å; I286-L290 WeakPolarHBondContact O-CG 3.44Å; I286-L290 PolarHBondContact O-N 3.2Å; V287-L290 PolarHBondContact O-N 3.2Å; L290-L293 PolarHBondContact O-N 3.36Å; L290-A294 WeakPolarHBondContact O-CB 3.35Å; L290-A294 PolarHBondContact O-N 2.7Å
291A81Confident74.8Confident54 Ų5482 Ų8245%0.44652%0.523SS..Hα-helixtrans-63.8-43.7176.200000111.9V287 A288 A294 V295V287-A291 WeakPolarHBondContact O-CB 3.43Å; V287-A291 PolarHBondContact O-N 3.19Å; A288-A291 PolarHBondContact O-N 3.18Å; A291-A294 PolarHBondContact O-N 3.39Å; A291-V295 WeakPolarHBondContact O-CG2 3.33Å; A291-V295 PolarHBondContact O-N 2.92Å
292V83Confident76.2Confident96 Ų9682 Ų8258%0.58252%0.524SS*.Hα-helixtrans-63.1-45.1175.5172.20000111A288 G289 A294 V295 V296A288-V292 WeakPolarHBondContact O-CG2 3.34Å; A288-V292 PolarHBondContact O-N 3.15Å; G289-V292 PolarHBondContact O-N 3.26Å; V292-A294 PolarHBondContact O-N 2.92Å; V292-V295 PolarHBondContact O-N 3.01Å; V292-V296 HydrophobicContact CG1-CG2 4.46Å; V292-V296 WeakPolarHBondContact O-CG2 3.29Å; V292-V296 PolarHBondContact O-N 3.28Å
293L83.9Confident77.2Confident107 Ų10780.5 Ų80.556%0.5652%0.518SS*.Hα-helixtrans-58.6-44.4175.4-86.5163.4000112.3G289 L290 V295 V296 V297G289-L293 WeakPolarHBondContact O-CB 3.28Å; G289-L293 PolarHBondContact O-N 2.87Å; L290-L293 PolarHBondContact O-N 3.36Å; L293-V295 PolarHBondContact O-N 2.85Å; L293-V296 PolarHBondContact O-N 3.4Å; L293-V297 WeakPolarHBondContact O-CG2 3.45Å; L293-V297 PolarHBondContact O-N 3.15Å
294A82.6Confident78Confident50 Ų5077.2 Ų77.241%0.41351%0.509SS..Hα-helixtrans-60.6-44.5177.200000112.1L290 A291 V292 V297 I298L290-A294 WeakPolarHBondContact O-CB 3.35Å; L290-A294 PolarHBondContact O-N 2.7Å; A291-A294 PolarHBondContact O-N 3.39Å; V292-A294 PolarHBondContact O-N 2.92Å; A294-V297 PolarHBondContact O-N 3.48Å; A294-I298 WeakPolarHBondContact O-CB 3.41Å; A294-I298 WeakPolarHBondContact O-CD1 3.42Å; A294-I298 VanDerWaalsContact O-CG1 3.24Å; A294-I298 WeakPolarHBondContact O-CG1 3.27Å; A294-I298 PolarHBondContact O-N 3.17Å
295V83.9Confident78.7Confident104 Ų10475.3 Ų75.363%0.6350%0.498SS*.Hα-helixtrans-62.8-42.6176.7172.40000111.6A291 V292 L293 I298 G299A291-V295 WeakPolarHBondContact O-CG2 3.33Å; A291-V295 PolarHBondContact O-N 2.92Å; V292-V295 PolarHBondContact O-N 3.01Å; L293-V295 PolarHBondContact O-N 2.85Å; V295-I298 PolarHBondContact O-N 3.47Å; V295-G299 PolarHBondContact O-N 3.45Å
296V85.1Confident79.2Confident93 Ų9379.3 Ų79.356%0.56451%0.506SS*.Hα-helixtrans-63.6-43.9177.1171.40000111.5V292 L293 G299 A300V292-V296 HydrophobicContact CG1-CG2 4.46Å; V292-V296 WeakPolarHBondContact O-CG2 3.29Å; V292-V296 PolarHBondContact O-N 3.28Å; L293-V296 PolarHBondContact O-N 3.4Å; V296-G299 PolarHBondContact O-N 2.95Å; V296-A300 WeakPolarHBondContact O-CB 3.16Å; V296-A300 PolarHBondContact O-N 2.95Å
297V82.8Confident78.9Confident87 Ų8779.1 Ų79.153%0.52751%0.512SS..Hα-helixtrans-64.2-45177.6171.30000111.2L293 A294 G299 A300 V301L293-V297 WeakPolarHBondContact O-CG2 3.45Å; L293-V297 PolarHBondContact O-N 3.15Å; A294-V297 PolarHBondContact O-N 3.48Å; V297-G299 PolarHBondContact O-N 2.8Å; V297-A300 PolarHBondContact O-N 2.83Å; V297-V301 HydrophobicContact CG1-CG2 4.46Å; V297-V301 WeakPolarHBondContact O-CG2 3.45Å; V297-V301 PolarHBondContact O-N 2.9Å
298I82.5Confident78.5Confident108 Ų10884.4 Ų84.455%0.55452%0.522SS*.Hα-helixtrans-60.8-45.9176.2-68.1164.2000110.4A294 V295 A300 V301 V302A294-I298 WeakPolarHBondContact O-CB 3.41Å; A294-I298 WeakPolarHBondContact O-CD1 3.42Å; A294-I298 VanDerWaalsContact O-CG1 3.24Å; A294-I298 WeakPolarHBondContact O-CG1 3.27Å; A294-I298 PolarHBondContact O-N 3.17Å; V295-I298 PolarHBondContact O-N 3.47Å; I298-A300 PolarHBondContact O-N 3.18Å; I298-V301 PolarHBondContact O-N 2.69Å; I298-V302 HydrophobicContact CG2-CG2 4.44Å; I298-V302 WeakPolarHBondContact O-CG2 3.36Å; I298-V302 PolarHBondContact O-N 2.89Å
299G81.3Confident77.7Confident42 Ų4291.8 Ų91.843%0.43354%0.539SS..Hα-helixtrans-59.3-44.4176.400000113V295 V296 V297 V302 A303V295-G299 PolarHBondContact O-N 3.45Å; V296-G299 PolarHBondContact O-N 2.95Å; V297-G299 PolarHBondContact O-N 2.8Å; G299-V302 PolarHBondContact O-N 2.87Å; G299-A303 WeakPolarHBondContact O-CB 3.22Å; G299-A303 PolarHBondContact O-N 3.4Å
300A80.5Confident76.4Confident60 Ų6099 Ų9950%0.49656%0.56SS.*Hα-helixtrans-64.5-41.517700000112.5V296 V297 I298 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.16Å; V296-A300 PolarHBondContact O-N 2.95Å; V297-A300 PolarHBondContact O-N 2.83Å; I298-A300 PolarHBondContact O-N 3.18Å; A300-A303 PolarHBondContact O-N 3.16Å; A300-A304 WeakPolarHBondContact O-CB 3.36Å; A300-A304 PolarHBondContact O-N 3.49Å
301V81.7Confident75Confident85 Ų8598.3 Ų98.352%0.51556%0.564SS.*Hα-helixtrans-64.7-45.4175.9170.70000111V297 I298 A303 A304 V305V297-V301 HydrophobicContact CG1-CG2 4.46Å; V297-V301 WeakPolarHBondContact O-CG2 3.45Å; V297-V301 PolarHBondContact O-N 2.9Å; I298-V301 PolarHBondContact O-N 2.69Å; V301-A303 PolarHBondContact O-N 2.89Å; V301-A304 PolarHBondContact O-N 3.09Å; V301-V305 HydrophobicContact CG1-CG2 4.41Å; V301-V305 WeakPolarHBondContact O-CB 3.27Å; V301-V305 VanDerWaalsContact O-CG2 3.3Å; V301-V305 WeakPolarHBondContact O-CG2 3.45Å; V301-V305 PolarHBondContact O-N 3.22Å
302V80.2Confident73.4Confident79 Ų79100.2 Ų100.248%0.47957%0.574SS.*Hα-helixtrans-61.2-45.5176.7171.30000110.9I298 G299 A304 V305 M306I298-V302 HydrophobicContact CG2-CG2 4.44Å; I298-V302 WeakPolarHBondContact O-CG2 3.36Å; I298-V302 PolarHBondContact O-N 2.89Å; G299-V302 PolarHBondContact O-N 2.87Å; V302-A304 PolarHBondContact O-N 3.24Å; V302-V305 PolarHBondContact O-N 3.14Å; V302-M306 HydrophobicContact CG1-SD 4.14Å; V302-M306 WeakPolarHBondContact O-CB 3.2Å; V302-M306 WeakPolarHBondContact O-CG 3.41Å; V302-M306 PolarHBondContact O-N 2.72Å
303A75.2Confident71.6Confident52 Ų5299.2 Ų99.243%0.4358%0.583SS.*Hα-helixtrans-60.7-45.217600000112.2G299 A300 V301 V305 M306 C307G299-A303 WeakPolarHBondContact O-CB 3.22Å; G299-A303 PolarHBondContact O-N 3.4Å; A300-A303 PolarHBondContact O-N 3.16Å; V301-A303 PolarHBondContact O-N 2.89Å; A303-V305 PolarHBondContact O-N 2.69Å; A303-M306 PolarHBondContact O-N 3.35Å; A303-C307 WeakPolarHBondContact O-CB 3.26Å; A303-C307 PolarHBondContact O-N 3.43Å; A303-C307 PolarHBondContact O-SG 2.95Å
304A74.8Confident69.8Low54 Ų5497.5 Ų97.545%0.44659%0.592SS.*Hα-helixtrans-63.6-40.3177.500000112.6A300 V301 V302 C307 R308A300-A304 WeakPolarHBondContact O-CB 3.36Å; A300-A304 PolarHBondContact O-N 3.49Å; V301-A304 PolarHBondContact O-N 3.09Å; V302-A304 PolarHBondContact O-N 3.24Å; A304-C307 PolarHBondContact O-N 3.12Å; A304-R308 PolarHBondContact O-N 3.27Å
305V74.1Confident67.6Low83 Ų83105.6 Ų105.650%0.50362%0.617SS.*Hα-helixtrans-65.8-43175.1169.70000111.1V301 V302 A303 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.41Å; V301-V305 WeakPolarHBondContact O-CB 3.27Å; V301-V305 VanDerWaalsContact O-CG2 3.3Å; V301-V305 WeakPolarHBondContact O-CG2 3.45Å; V301-V305 PolarHBondContact O-N 3.22Å; V302-V305 PolarHBondContact O-N 3.14Å; A303-V305 PolarHBondContact O-N 2.69Å; V305-R308 PolarHBondContact O-N 3.2Å; V305-R309 WeakPolarHBondContact O-CB 3.18Å; V305-R309 PolarHBondContact O-N 2.69Å
306M72.1Confident65.4Low129 Ų129104.5 Ų104.564%0.63563%0.628SS**Hα-helixtrans-63.8-42.3175.7-73.5-177.16900112.3V302 A303 R309 K310V302-M306 HydrophobicContact CG1-SD 4.14Å; V302-M306 WeakPolarHBondContact O-CB 3.2Å; V302-M306 WeakPolarHBondContact O-CG 3.41Å; V302-M306 PolarHBondContact O-N 2.72Å; A303-M306 PolarHBondContact O-N 3.35Å; M306-R309 PolarHBondContact O-N 2.72Å; M306-K310 PolarHBondContact O-N 2.69Å
307C65.8Low62.9Low90 Ų90104.1 Ų104.161%0.60864%0.642SS**Hα-helixtrans-60.6-45.7173-760000111.8A303 A304 R309 K310 S311A303-C307 WeakPolarHBondContact O-CB 3.26Å; A303-C307 PolarHBondContact O-N 3.43Å; A303-C307 PolarHBondContact O-SG 2.95Å; A304-C307 PolarHBondContact O-N 3.12Å; C307-R309 PolarHBondContact O-N 3.32Å; C307-K310 PolarHBondContact O-N 2.91Å; C307-S311 PolarHBondContact O-N 2.67Å; C307-S311 VanDerWaalsContact O-N 3.08Å; C307-S311 PolarHBondContact O-OG 3.2Å
308R63.4Low60.5Low200 Ų200105 Ų10576%0.75565%0.652SS**Hα-helixtrans-60.5-44.4175.3-83.1-174.1167.5-176.7-3.1112.3A304 V305 K310 S311 S312A304-R308 PolarHBondContact O-N 3.27Å; V305-R308 PolarHBondContact O-N 3.2Å; R308-K310 VanDerWaalsContact C-N 3.27Å; R308-K310 PolarHBondContact O-N 3.33Å; R308-S311 WeakPolarHBondContact CA-OG 3.41Å; R308-S311 PolarHBondContact O-N 2.87Å; R308-S311 VanDerWaalsContact O-N 3.1Å; R308-S311 PolarHBondContact O-OG 3.33Å; R308-S312 PolarHBondContact O-N 3.07Å
309R56.1Low58.2Low207 Ų207110 Ų11078%0.78167%0.666SS**Hα-helixtrans-63.1-30.2176.7-124.6178.4-178.2-179.70.5113.2V305 M306 C307 S312V305-R309 WeakPolarHBondContact O-CB 3.18Å; V305-R309 PolarHBondContact O-N 2.69Å; M306-R309 PolarHBondContact O-N 2.72Å; C307-R309 PolarHBondContact O-N 3.32Å; R309-S312 PolarHBondContact O-OG 3.26Å
310K52.1Low56Low189 Ų189114 Ų11482%0.82269%0.687SS**Hα-helixtrans-77.8-24.5175-161.4170.9-177.1178.60112.8M306 C307 R308M306-K310 PolarHBondContact O-N 2.69Å; C307-K310 PolarHBondContact O-N 2.91Å; R308-K310 VanDerWaalsContact C-N 3.27Å; R308-K310 PolarHBondContact O-N 3.33Å
311S52.1Low53.8Low95 Ų95120.3 Ų120.366%0.66471%0.706SS**Hα-helixtrans-87.3-14.5177.264.20000115.4C307 R308 G313C307-S311 PolarHBondContact O-N 2.67Å; C307-S311 VanDerWaalsContact O-N 3.08Å; C307-S311 PolarHBondContact O-OG 3.2Å; R308-S311 WeakPolarHBondContact CA-OG 3.41Å; R308-S311 PolarHBondContact O-N 2.87Å; R308-S311 VanDerWaalsContact O-N 3.1Å; R308-S311 PolarHBondContact O-OG 3.33Å; S311-G313 VanDerWaalsContact C-N 3.31Å; S311-G313 PolarHBondContact O-N 3.16Å
312S49.2Very low51.4Low95 Ų95120.3 Ų120.366%0.66472%0.715SS**SBendtrans-8912-179.864.30000114.4R308 R309R308-S312 PolarHBondContact O-N 3.07Å; R309-S312 PolarHBondContact O-OG 3.26Å
313G44.6Very low49.2Very low74 Ų74121.3 Ų121.376%0.76373%0.731SS**SBendtrans-99.673.5-179.700000113.3S311S311-G313 VanDerWaalsContact C-N 3.31Å; S311-G313 PolarHBondContact O-N 3.16Å
314G46.6Very low47.1Very low72 Ų72124.8 Ų124.874%0.74275%0.751SS**  trans124107.3161.900000116.8
315K35.8Very low45.2Very low219 Ų219127.4 Ų127.495%0.95277%0.767SS**  trans-161.4108.2146.1-116.9169.5-177.3176.40110.5
316G37.2Very low43.4Very low82 Ų82130.3 Ų130.385%0.84578%0.779SS**  trans-110.1154.1159.100000108.9
317G32.7Very low41.9Very low85 Ų85129.7 Ų129.788%0.87679%0.788SS**  trans165.380.8-177.400000115.1
318S33.4Very low40.5Very low105 Ų105129.8 Ų129.873%0.73480%0.795SS**  trans-32.6138.1171.3-172.90000120.2
319Y34.3Very low39.3Very low214 Ų214130 Ų13084%0.83980%0.804SS**  trans43.8136.3140.9-80.2-94.6000124.5
320S33.3Very low38.3Very low124 Ų124123.5 Ų123.587%0.86780%0.802SS**  trans-142.4139.5140.6-67.70000110.5
321Q34.8Very low37.6Very low193 Ų193119.7 Ų119.790%0.90280%0.799SS**  trans-96.9156.7175.2-155.8175.7-10.500108.3
322A32.7Very low37.1Very low86 Ų86121.6 Ų121.671%0.71180%0.802SS**  cis-138.5-152.422.500000111
323A32.5Very low36.7Very low99 Ų99123.2 Ų123.282%0.81881%0.807SS**  cis-157.4-162.515.100000113.8
324C31.8Very low36.6Very low125 Ų125124.4 Ų124.485%0.84580%0.804SS**  trans-68.6156.9174.8-1010000114.3
325S35.3Very low36.2Very low110 Ų110128.3 Ų128.377%0.76981%0.807SS**  cis-162.5169.848.351.70000114.9
326D36.5Very low36.4Very low144 Ų144124 Ų12477%0.7780%0.8SS**  trans-51.3153.4-173.7-55.8-69.2000119.3
327S38.8Very low36.7Very low116 Ų116128.3 Ų128.381%0.81183%0.827SS**  167.3121.2111.5-72.30000115.6
328A37Very low36.9Very low92 Ų92130.5 Ų130.576%0.7682%0.824SS**  trans24.5149.5145.500000125.5
329Q38.3Very low37.1Very low203 Ų203131.8 Ų131.895%0.94983%0.829SS**  trans70.1138.2162.6-63.4171.9-10.900117
330G34.9Very low37.2Very low71 Ų71127.2 Ų127.273%0.73283%0.828SS**  cis-170.4175.8-5.800000111.9
331S38.3Very low37.5Very low109 Ų109127.4 Ų127.476%0.76283%0.826SS**  trans2.7143.8143.7-62.30000118.5
332D41.7Very low37.6Very low136 Ų136123.3 Ų123.373%0.72782%0.821SS**  cis-166.3152.522.6-109.8-11.6000109.5
333V39.4Very low37.9Very low128 Ų128125.8 Ų125.878%0.77683%0.829SS**  52.3132.2103.3-1770000114.4
334S43.1Very low38.3Very low99 Ų99127.7 Ų127.769%0.69283%0.829SS**  cis-158.4153.8-3.5450000108.2
335L39.2Very low38.8Very low155 Ų155127.9 Ų127.981%0.81283%0.828SS**  45.8103.281.2-126178.2000115.8
336T39.3Very low39.1Very low129 Ų129129.4 Ų129.479%0.79183%0.833SS**  trans174.6125.6134.330.30000107.7
337A43.2Very low39.4Very low171 Ų171128.1 Ų128.1100%1.41384%0.839SS**  94073.100000111.6

Retrieved 337 of 337 residues in 1351.3 ms (Link to these results)

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