A0A060VCY2_HUMAN Loading...

MHC class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A060VCY2, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 341 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S93.3Very high98Very high97 Ų9735.5 Ų35.568%0.67819%0.194SC*.  0165.60380000107.5V102S1-V102 WeakPolarHBondContact CA-O 3.4Å; S1-V102 VanDerWaalsContact CB-O 3.32Å; S1-V102 WeakPolarHBondContact CB-O 3.33Å
2H97.3Very high98Very high45 Ų4533.9 Ų33.921%0.20819%0.188CC..EExtended strand (participates in β ladder)trans-135.6158.1178.9-64.9-76.1000111.1D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.48Å; H2-D28 IonicContact CE1-OD2 3.08Å; H2-D28 IonicContact CG-OD2 3.93Å; H2-D28 IonicContact ND1-OD1 3.51Å; H2-D28 IonicContact ND1-OD2 2.84Å; H2-D28 PolarHBondContact ND1-OD2 2.87Å; H2-D101 CarbonylContact O-C 3.52Å; H2-D101 WeakPolarHBondContact O-CA 3.37Å; H2-V102 HydrophobicContact CB-CG2 4.08Å; H2-V102 PolarHBondContact N-O 3.29Å; H2-V102 PolarHBondContact O-N 2.86Å; H2-L167 HydrophobicContact CB-CD1 4.4Å; H2-L171 HydrophobicContact CB-CD1 3.69Å; H2-L171 HydrophobicContact CB-CD2 4Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.45Å
3S98.2Very high97.8Very high23 Ų2337.5 Ų37.516%0.16120%0.197CC..EExtended strand (participates in β ladder)trans-133.5150.5178.7660000111.4V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.44Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.1Å; S3-D28 PolarHBondContact N-OD1 2.81Å; S3-D28 PolarHBondContact O-N 3.04Å; S3-D28 PolarHBondContact OG-OD1 2.94Å; S3-C100 CarbonylContact C-O 3.55Å; S3-C100 WeakPolarHBondContact CA-O 3.42Å; S3-D101 WeakPolarHBondContact CB-OD1 3.49Å
4M98.7Very high97.4Very high0 Ų038.7 Ų38.70%021%0.208CC..EExtended strand (participates in β ladder)trans-124.6122165.8-174.7171.562.600108.4Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.17Å; M4-Y6 HydrophobicContact CG-CE2 4.12Å; M4-Y6 HydrophobicContact SD-CE2 4.11Å; M4-Y26 WeakPolarHBondContact CA-O 3.24Å; M4-V27 HydrophobicContact CG-CG2 4.34Å; M4-F32 HydrophobicContact CG-CE1 4.39Å; M4-F32 HydrophobicContact SD-CZ 4.38Å; M4-G99 CarbonylContact O-C 3.52Å; M4-G99 WeakPolarHBondContact O-CA 3.3Å; M4-C100 PolarHBondContact N-O 2.83Å; M4-C100 PolarHBondContact O-N 2.93Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.38Å; M4-C163 WeakPolarHBondContact CE-SG 3.18Å; M4-W166 HydrophobicContact CE-CB 4.07Å; M4-W166 HydrophobicContact SD-CB 4.4Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 4.1Å; M4-L167 HydrophobicContact CB-CG 4.27Å; M4-L167 HydrophobicContact CE-CB 4.4Å; M4-L167 HydrophobicContact SD-CB 4.44Å; M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.54Å; M4-Y170 VanDerWaalsContact SD-CE2 3.54Å
5R98.6Very high96.9Very high47 Ų4742.2 Ų42.218%0.17726%0.257CS..EExtended strand (participates in β ladder)trans-130.1136.2-175.8-56.3-62.4-177.7793.1110.7F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.63Å; R5-F7 HydrophobicContact CB-CZ 3.92Å; R5-G25 CarbonylContact O-C 3.52Å; R5-G25 WeakPolarHBondContact O-CA 3.31Å; R5-Y26 PolarHBondContact N-O 3.16Å; R5-Y26 PolarHBondContact O-N 2.96Å; R5-D101 IonicContact CZ-OD1 3.13Å; R5-D101 IonicContact NE-OD1 2.6Å; R5-D101 PolarHBondContact NE-OD1 2.66Å; R5-D101 VanDerWaalsContact NE-OD1 3.11Å; R5-D101 IonicContact NH2-OD1 3.16Å; R5-D101 PolarHBondContact NH2-OD1 2.8Å; R5-D101 IonicContact NH2-OD2 2.61Å; R5-D101 PolarHBondContact NH2-OD2 2.97Å; R5-Y112 PolarHBondContact NH2-OH 2.83Å
6Y98.8Very high96.5Very high6 Ų652.9 Ų52.92%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-113.3135.9170.3-68.9-91000109.4M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.17Å; M4-Y6 HydrophobicContact CG-CE2 4.12Å; M4-Y6 HydrophobicContact SD-CE2 4.11Å; Y6-Y8 HydrophobicContact CD1-CE1 4.27Å; Y6-Y8 HydrophobicContact CG-CE1 4.47Å; Y6-V24 CarbonylContact C-O 3.5Å; Y6-V24 WeakPolarHBondContact CA-O 3.38Å; Y6-F32 AromaticContact CE1-CZ 3.93Å; Y6-F32 HydrophobicContact CE1-CZ 3.93Å; Y6-F32 AromaticContact CZ-CZ 3.77Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.27Å; Y6-V33 HydrophobicContact CE1-CG1 3.99Å; Y6-M97 WeakPolarHBondContact O-CA 3.47Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.48Å; Y6-Y98 HydrophobicContact CD2-CD2 4.44Å; Y6-Y98 HydrophobicContact CD2-CE1 4.39Å; Y6-Y98 AromaticContact CD2-CE2 3.64Å; Y6-Y98 HydrophobicContact CD2-CE2 3.64Å; Y6-Y98 AromaticContact CD2-CZ 3.6Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.36Å; Y6-Y98 HydrophobicContact CE2-CE2 4.34Å; Y6-Y98 HydrophobicContact CG-CE1 4.08Å; Y6-Y98 HydrophobicContact CG-CE2 4.15Å; Y6-Y98 AromaticContact CG-CZ 3.63Å; Y6-Y98 PolarHBondContact N-O 2.95Å; Y6-Y98 PolarHBondContact O-N 3.38Å; Y6-Y98 VanDerWaalsContact O-N 3.11Å
7F98.9Very high96.2Very high87 Ų8753.4 Ų53.438%0.38231%0.311SS..EExtended strand (participates in β ladder)trans-122.1116.9178.2-57-94.8000109.1R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.63Å; R5-F7 HydrophobicContact CB-CZ 3.92Å; F7-A23 WeakPolarHBondContact O-CA 3.37Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.32Å; F7-V24 PolarHBondContact N-O 3.23Å; F7-V24 PolarHBondContact O-N 3.17Å; F7-Y26 HydrophobicContact CD2-CD2 4.09Å; F7-Y26 HydrophobicContact CE2-CD2 4.11Å; F7-R96 WeakPolarHBondContact CA-O 3.29Å; F7-M97 HydrophobicContact CD1-CB 3.97Å; F7-M97 HydrophobicContact CD1-CG 3.63Å; F7-M97 HydrophobicContact CE1-CB 4.12Å; F7-M97 HydrophobicContact CE1-CG 3.36Å; F7-M97 HydrophobicContact CG-CG 4.47Å; F7-M97 HydrophobicContact CZ-CG 4.01Å
8Y98.8Very high96Very high7 Ų755.9 Ų55.93%0.02732%0.319CS..EExtended strand (participates in β ladder)trans-110.8139.2177.8-58-13.8000109.3Y6 F21 I22 A23 Y66 Q69 Q95 R96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.27Å; Y6-Y8 HydrophobicContact CG-CE1 4.47Å; Y8-F21 HydrophobicContact CD1-CZ 4.33Å; Y8-F21 HydrophobicContact CD2-CE2 4.31Å; Y8-F21 HydrophobicContact CD2-CZ 4.07Å; Y8-F21 HydrophobicContact CE2-CZ 4.48Å; Y8-F21 HydrophobicContact CG-CE2 4.18Å; Y8-F21 AromaticContact CG-CZ 3.92Å; Y8-F21 HydrophobicContact CG-CZ 3.92Å; Y8-I22 CarbonylContact C-O 3.49Å; Y8-I22 WeakPolarHBondContact CA-O 3.17Å; Y8-A23 HydrophobicContact CD1-CB 3.27Å; Y8-A23 HydrophobicContact CE1-CB 3.42Å; Y8-A23 VanDerWaalsContact CE1-CB 3.42Å; Y8-A23 HydrophobicContact CG-CB 4.2Å; Y8-Y66 HydrophobicContact CE1-CD1 4.17Å; Y8-Y66 AromaticContact CE1-CE1 3.82Å; Y8-Y66 HydrophobicContact CE1-CE1 3.82Å; Y8-Y66 AromaticContact CZ-CE1 3.93Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.37Å; Y8-Q69 HydrophobicContact CD2-CG 3.55Å; Y8-Q69 HydrophobicContact CE2-CB 4.25Å; Y8-Q69 HydrophobicContact CE2-CG 3.66Å; Y8-Q95 CarbonylContact O-C 3.57Å; Y8-Q95 VanDerWaalsContact O-CA 3.26Å; Y8-Q95 WeakPolarHBondContact O-CA 3.49Å; Y8-R96 PolarHBondContact N-O 3.18Å; Y8-R96 PolarHBondContact O-N 2.97Å; Y8-Y98 HydrophobicContact CD2-CE1 4.14Å; Y8-Y98 HydrophobicContact CE1-CE1 4.01Å; Y8-Y98 HydrophobicContact CE2-CD1 4.48Å; Y8-Y98 AromaticContact CE2-CE1 3.54Å; Y8-Y98 HydrophobicContact CE2-CE1 3.54Å; Y8-Y98 AromaticContact CZ-CE1 3.49Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.49Å; Y8-Y98 AromaticContact CZ-CZ 3.95Å; Y8-Y98 PolarHBondContact OH-OH 2.99Å
9T98.9Very high96.1Very high41 Ų4154.3 Ų54.325%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-135.3123.5176.2-59.30000108.7V11 F21 I22 I93 Q95T9-V11 HydrophobicContact CG2-CG2 4Å; T9-F21 WeakPolarHBondContact O-CA 3.35Å; T9-I22 PolarHBondContact N-O 2.99Å; T9-I22 PolarHBondContact O-N 2.9Å; T9-I93 HydrophobicContact CG2-CG2 3.92Å; T9-Q95 HydrophobicContact CG2-CG 4.13Å
10A98.6Very high96.2Very high2 Ų252.7 Ų52.72%0.01730%0.301CS..EExtended strand (participates in β ladder)trans-117.7125.8171.300000110.5H20 F21 D73 L77 I93 I94A10-H20 CarbonylContact C-O 3.58Å; A10-H20 VanDerWaalsContact CA-O 3.23Å; A10-H20 WeakPolarHBondContact CA-O 3.46Å; A10-F21 HydrophobicContact CB-CD2 4.13Å; A10-D73 HydrophobicContact CB-CB 3.63Å; A10-L77 HydrophobicContact CB-CD1 4.07Å; A10-I93 WeakPolarHBondContact O-CA 3.39Å; A10-I94 HydrophobicContact CB-CG2 3.71Å; A10-I94 PolarHBondContact N-O 3.2Å; A10-I94 PolarHBondContact O-N 3.19Å
11V98.4Very high96.3Very high35 Ų3550.3 Ų50.321%0.21229%0.287CS..EExtended strand (participates in β ladder)trans-116.2115.6-176.8-175.80000109.2T9 P19 H20 I93T9-V11 HydrophobicContact CG2-CG2 4Å; V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.48Å; V11-H20 PolarHBondContact N-O 3.28Å; V11-H20 PolarHBondContact O-N 2.92Å; V11-I93 HydrophobicContact CG1-CG1 4.15Å; V11-I93 HydrophobicContact CG2-CG1 4.14Å; V11-I93 HydrophobicContact CG2-CG2 4.3Å
12S97.6Very high96.6Very high17 Ų1748 Ų4812%0.11927%0.267CS..  trans-69.2142.6174.276.80000110.6S91 H92S12-S91 VanDerWaalsContact O-CB 3.32Å; S12-S91 WeakPolarHBondContact O-CB 3.48Å; S12-S91 PolarHBondContact O-OG 3.03Å; S12-H92 PolarHBondContact N-O 3.25Å; S12-H92 PolarHBondContact OG-N 2.89Å; S12-H92 PolarHBondContact OG-O 2.65Å
13R95.4Very high96.6Very high81 Ų8145.9 Ų45.931%0.30626%0.257SS..  trans-132.377.4-178.2-59.1174.6177.6176.2-4.1110.5G15 R16 H20 D38R13-G15 PolarHBondContact O-N 2.92Å; R13-R16 HydrophobicContact CB-CB 4.04Å; R13-R16 PolarHBondContact O-N 2.72Å; R13-H20 PolarHBondContact NH2-ND1 2.93Å; R13-D38 IonicContact CZ-OD2 2.66Å; R13-D38 VanDerWaalsContact CZ-OD2 3.23Å; R13-D38 IonicContact NH1-OD1 3Å; R13-D38 IonicContact NH1-OD2 3.3Å; R13-D38 PolarHBondContact NH1-OD2 3.46Å; R13-D38 IonicContact NH2-OD2 3.35Å; R13-D38 PolarHBondContact NH2-OD2 3.3Å
14P91.9Very high96.7Very high54 Ų5446.1 Ų46.135%0.35126%0.257SS..THydrogen-bonded Turntrans-50127.9-177.9-27.535000112.3R16 E88 R90P14-R16 PolarHBondContact O-N 2.92Å; P14-E88 VanDerWaalsContact CB-O 3.29Å; P14-E88 WeakPolarHBondContact CB-O 3.41Å; P14-E88 VanDerWaalsContact CG-O 3.22Å; P14-E88 WeakPolarHBondContact CG-O 3.18Å; P14-R90 VanDerWaalsContact CG-O 3.31Å; P14-R90 WeakPolarHBondContact CG-O 3.32Å
15G89.7Confident96.7Very high91 Ų9146.1 Ų46.194%0.93826%0.257SS*.THydrogen-bonded Turntrans72.83.3-178.900000115.9R13R13-G15 PolarHBondContact O-N 2.92Å
16R91.3Very high96.7Very high214 Ų21447.2 Ų47.281%0.80826%0.262SS*.SBendtrans-124.124.5-179.4-58-174.8179.4-169-0.2113.6R13 P14R13-R16 HydrophobicContact CB-CB 4.04Å; R13-R16 PolarHBondContact O-N 2.72Å; P14-R16 PolarHBondContact O-N 2.92Å
17G90.5Very high96.6Very high61 Ų6146.9 Ų46.963%0.62926%0.26SS*.SBendtrans98.2-153.1177.100000113.7
18E93.6Very high96.5Very high98 Ų9844.2 Ų44.246%0.45825%0.25SS..SBendtrans-74.1158.9-178.9-65.2-55.8160.600112.6H20 R74E18-H20 PolarHBondContact O-N 3.06Å; E18-R74 VanDerWaalsContact CD-NE 3.28Å; E18-R74 IonicContact OE1-CZ 3.65Å; E18-R74 IonicContact OE1-NE 2.69Å; E18-R74 IonicContact OE1-NH1 2.85Å; E18-R74 IonicContact OE1-NH2 3.26Å; E18-R74 PolarHBondContact OE1-NH2 2.88Å; E18-R74 VanDerWaalsContact OE2-CD 3.3Å; E18-R74 WeakPolarHBondContact OE2-CD 3.46Å; E18-R74 IonicContact OE2-CZ 3.56Å; E18-R74 IonicContact OE2-NE 3.2Å; E18-R74 PolarHBondContact OE2-NE 2.89Å; E18-R74 IonicContact OE2-NH2 3.25Å; E18-R74 PolarHBondContact OE2-NH2 3.31Å
19P96.8Very high96.4Very high25 Ų2547 Ų4716%0.16227%0.265CS..PPolyproline II helixtrans-55.4135.2170.5-24.535.2000111.2V11 R74 L77V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.48Å; P19-R74 HydrophobicContact CG-CB 4.25Å; P19-R74 HydrophobicContact CG-CG 4.14Å; P19-L77 HydrophobicContact CB-CD1 3.63Å; P19-L77 HydrophobicContact CG-CD1 3.77Å
20H98.3Very high96.3Very high23 Ų2346.5 Ų46.511%0.10626%0.262CS..EExtended strand (participates in β ladder)trans-80.2128.5174.1172.7-146.4000109.9A10 V11 R13 E18 I22 D36 S37 D38A10-H20 CarbonylContact C-O 3.58Å; A10-H20 VanDerWaalsContact CA-O 3.23Å; A10-H20 WeakPolarHBondContact CA-O 3.46Å; V11-H20 PolarHBondContact N-O 3.28Å; V11-H20 PolarHBondContact O-N 2.92Å; R13-H20 PolarHBondContact NH2-ND1 2.93Å; E18-H20 PolarHBondContact O-N 3.06Å; H20-I22 WeakPolarHBondContact CE1-CD1 3.26Å; H20-D36 IonicContact CD2-OD1 3.59Å; H20-D36 IonicContact CE1-OD1 2.78Å; H20-D36 IonicContact NE2-OD1 3.01Å; H20-D36 PolarHBondContact NE2-OD1 3.04Å; H20-D36 IonicContact NE2-OD2 2.8Å; H20-S37 PolarHBondContact CD2-OG 3.02Å; H20-D38 IonicContact CD2-OD1 3.88Å; H20-D38 PolarHBondContact CD2-OD1 2.88Å; H20-D38 IonicContact CD2-OD2 2.74Å; H20-D38 PolarHBondContact CD2-OD2 2.94Å; H20-D38 IonicContact CE1-OD2 3.13Å; H20-D38 IonicContact CG-OD1 3.47Å; H20-D38 IonicContact CG-OD2 3.97Å; H20-D38 IonicContact ND1-OD2 3.59Å; H20-D38 IonicContact NE2-OD2 3.93Å
21F98.7Very high96.2Very high2 Ų248.9 Ų48.91%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-116.6124.2-178176.5-92.2000110.1Y8 T9 A10 A23 F35 S37 Y66 Q69 A70 D73Y8-F21 HydrophobicContact CD1-CZ 4.33Å; Y8-F21 HydrophobicContact CD2-CE2 4.31Å; Y8-F21 HydrophobicContact CD2-CZ 4.07Å; Y8-F21 HydrophobicContact CE2-CZ 4.48Å; Y8-F21 HydrophobicContact CG-CE2 4.18Å; Y8-F21 AromaticContact CG-CZ 3.92Å; Y8-F21 HydrophobicContact CG-CZ 3.92Å; T9-F21 WeakPolarHBondContact O-CA 3.35Å; A10-F21 HydrophobicContact CB-CD2 4.13Å; F21-A23 HydrophobicContact CE1-CB 3.72Å; F21-A23 HydrophobicContact CZ-CB 3.89Å; F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.78Å; F21-F35 HydrophobicContact CD1-CE1 3.78Å; F21-F35 AromaticContact CE1-CD1 3.87Å; F21-F35 HydrophobicContact CE1-CD1 3.87Å; F21-F35 HydrophobicContact CE1-CE1 4.22Å; F21-S37 PolarHBondContact N-OG 3.21Å; F21-S37 PolarHBondContact O-N 3.25Å; F21-S37 PolarHBondContact O-OG 3.44Å; F21-Y66 HydrophobicContact CE1-CD1 4.48Å; F21-Q69 HydrophobicContact CE2-CB 4.27Å; F21-Q69 HydrophobicContact CE2-CG 3.74Å; F21-Q69 HydrophobicContact CZ-CB 3.98Å; F21-Q69 HydrophobicContact CZ-CG 3.81Å; F21-A70 HydrophobicContact CB-CB 3.75Å; F21-A70 HydrophobicContact CD1-CB 3.82Å; F21-A70 HydrophobicContact CD2-CB 4.11Å; F21-A70 HydrophobicContact CE1-CB 4.46Å; F21-A70 HydrophobicContact CG-CB 3.62Å; F21-D73 VanDerWaalsContact CE2-OD2 3.26Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.4Å
22I98.8Very high96.2Very high50 Ų5047.2 Ų47.226%0.25626%0.263SS..EExtended strand (participates in β ladder)trans-118.3135.4171.2-64.1164000108.1Y8 T9 H20 V24 F35Y8-I22 CarbonylContact C-O 3.49Å; Y8-I22 WeakPolarHBondContact CA-O 3.17Å; T9-I22 PolarHBondContact N-O 2.99Å; T9-I22 PolarHBondContact O-N 2.9Å; H20-I22 WeakPolarHBondContact CE1-CD1 3.26Å; I22-V24 HydrophobicContact CG2-CG1 4.26Å; I22-F35 WeakPolarHBondContact CA-O 3.42Å
23A98.8Very high96.3Very high0 Ų046.4 Ų46.40%026%0.258CS..EExtended strand (participates in β ladder)trans-125.7137.2168.600000110.2F7 Y8 F21 R34 F35 Y66F7-A23 WeakPolarHBondContact O-CA 3.37Å; Y8-A23 HydrophobicContact CD1-CB 3.27Å; Y8-A23 HydrophobicContact CE1-CB 3.42Å; Y8-A23 VanDerWaalsContact CE1-CB 3.42Å; Y8-A23 HydrophobicContact CG-CB 4.2Å; F21-A23 HydrophobicContact CE1-CB 3.72Å; F21-A23 HydrophobicContact CZ-CB 3.89Å; A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.33Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 2.89Å; A23-F35 PolarHBondContact O-N 3Å; A23-Y66 HydrophobicContact CB-CD1 3.58Å; A23-Y66 HydrophobicContact CB-CE1 3.64Å; A23-Y66 HydrophobicContact CB-CG 4.42Å
24V98.8Very high96.4Very high27 Ų2746.8 Ų46.816%0.16426%0.259CS..EExtended strand (participates in β ladder)trans-131.8147.3172.2-62.50000109.9Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.5Å; Y6-V24 WeakPolarHBondContact CA-O 3.38Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.32Å; F7-V24 PolarHBondContact N-O 3.23Å; F7-V24 PolarHBondContact O-N 3.17Å; I22-V24 HydrophobicContact CG2-CG1 4.26Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.38Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; V24-V33 WeakPolarHBondContact CA-O 3.34Å; V24-R34 HydrophobicContact CG1-CB 4.5Å; V24-R34 HydrophobicContact CG1-CG 4.28Å
25G98.6Very high96.7Very high0 Ų044.3 Ų44.30%024%0.243CC..EExtended strand (participates in β ladder)trans-127.1140.1176.200000111R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.52Å; R5-G25 WeakPolarHBondContact O-CA 3.31Å; G25-Q31 WeakPolarHBondContact O-CA 3.4Å; G25-F32 WeakPolarHBondContact O-CD1 3.23Å; G25-F32 PolarHBondContact O-N 3.25Å; G25-V33 PolarHBondContact N-O 3.33Å; G25-V33 PolarHBondContact O-N 3.38Å
26Y98.6Very high97.2Very high70 Ų7041.4 Ų41.428%0.27521%0.205SC..EExtended strand (participates in β ladder)trans-125.8143.1-178.8-74.8-102.7000110.4M4 R5 F7 V24 T30 Q31M4-Y26 WeakPolarHBondContact CA-O 3.24Å; R5-Y26 PolarHBondContact N-O 3.16Å; R5-Y26 PolarHBondContact O-N 2.96Å; F7-Y26 HydrophobicContact CD2-CD2 4.09Å; F7-Y26 HydrophobicContact CE2-CD2 4.11Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.38Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; Y26-T30 WeakPolarHBondContact CA-O 3.33Å; Y26-T30 VanDerWaalsContact CD1-C 3.48Å; Y26-Q31 HydrophobicContact CD1-CB 3.99Å; Y26-Q31 VanDerWaalsContact CD1-N 3.31Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.5Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.5Å; Y26-Q31 HydrophobicContact CE1-CG 4.2Å; Y26-Q31 HydrophobicContact CE2-CB 4.13Å; Y26-Q31 HydrophobicContact CE2-CG 3.88Å; Y26-Q31 HydrophobicContact CG-CB 4.48Å
27V98.4Very high97.5Very high0 Ų032.9 Ų32.90%018%0.179CC..EExtended strand (participates in β ladder)trans-110.3118.7157.2176.40000105.9S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.44Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.1Å; M4-V27 HydrophobicContact CG-CG2 4.34Å; V27-D29 PolarHBondContact O-N 2.8Å; V27-T30 PolarHBondContact N-O 2.94Å; V27-T30 WeakPolarHBondContact O-CB 3.29Å; V27-T30 PolarHBondContact O-N 3.38Å; V27-F32 HydrophobicContact CG2-CD1 4Å; V27-F32 HydrophobicContact CG2-CE1 4.07Å; V27-W50 HydrophobicContact CB-CH2 4.39Å; V27-W50 HydrophobicContact CB-CZ2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.42Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.24Å; V27-Y170 HydrophobicContact CG2-CD2 3.93Å; V27-Y170 HydrophobicContact CG2-CG 4.41Å; V27-L171 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.87Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å
28D96.7Very high97.8Very high31 Ų3134.1 Ų34.117%0.16617%0.171CC..THydrogen-bonded Turntrans48.9-123.5-165.9-52.9-41.8000110.5H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.48Å; H2-D28 IonicContact CE1-OD2 3.08Å; H2-D28 IonicContact CG-OD2 3.93Å; H2-D28 IonicContact ND1-OD1 3.51Å; H2-D28 IonicContact ND1-OD2 2.84Å; H2-D28 PolarHBondContact ND1-OD2 2.87Å; S3-D28 PolarHBondContact N-OD1 2.81Å; S3-D28 PolarHBondContact O-N 3.04Å; S3-D28 PolarHBondContact OG-OD1 2.94Å
29D96.3Very high98Very high65 Ų6531.1 Ų31.135%0.34816%0.163SC..THydrogen-bonded Turntrans-93.16.8179.5-60.8-52.6000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.8Å; D29-Y208 HydrophobicContact CB-CE2 3.98Å; D29-P209 VanDerWaalsContact OD2-CB 3.25Å; D29-P209 WeakPolarHBondContact OD2-CB 3.49Å; D29-A210 HydrophobicContact CB-CB 4.33Å; D29-A210 WeakPolarHBondContact OD2-CB 3.23Å; D29-A210 PolarHBondContact OD2-N 2.78Å; D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.72Å
30T96.7Very high98Very high31 Ų3135.5 Ų35.519%0.1920%0.201CC..EExtended strand (participates in β ladder)trans-102.7114.3-176.8-61.40000111.9Y26 V27 F32 A48 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.33Å; Y26-T30 VanDerWaalsContact CD1-C 3.48Å; V27-T30 PolarHBondContact N-O 2.94Å; V27-T30 WeakPolarHBondContact O-CB 3.29Å; V27-T30 PolarHBondContact O-N 3.38Å; T30-F32 PolarHBondContact O-N 3.46Å; T30-A48 HydrophobicContact CG2-CB 4.46Å; T30-L178 HydrophobicContact CG2-CD2 4.07Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.45Å; T30-Y208 PolarHBondContact OG1-OH 2.9Å
31Q97.4Very high97.8Very high52 Ų5238.2 Ų38.224%0.24322%0.223CC..EExtended strand (participates in β ladder)trans-68.4129.7173.5-166.3-179.32.100110.5V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; G25-Q31 WeakPolarHBondContact O-CA 3.4Å; Y26-Q31 HydrophobicContact CD1-CB 3.99Å; Y26-Q31 VanDerWaalsContact CD1-N 3.31Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.5Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.5Å; Y26-Q31 HydrophobicContact CE1-CG 4.2Å; Y26-Q31 HydrophobicContact CE2-CB 4.13Å; Y26-Q31 HydrophobicContact CE2-CG 3.88Å; Y26-Q31 HydrophobicContact CG-CB 4.48Å; Q31-V33 PolarHBondContact NE2-O 3.37Å; Q31-R47 HydrophobicContact CB-CB 4.48Å; Q31-R47 HydrophobicContact CG-CB 4.1Å; Q31-R47 HydrophobicContact CG-CG 4.35Å; Q31-R47 CarbonylContact O-C 3.56Å
32F98Very high97.8Very high0 Ų039.7 Ų39.70%023%0.233CC..EExtended strand (participates in β ladder)trans-120.6-19.9179.676.1-88.4000114.5M4 Y6 G25 V27 T30 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.39Å; M4-F32 HydrophobicContact SD-CZ 4.38Å; Y6-F32 AromaticContact CE1-CZ 3.93Å; Y6-F32 HydrophobicContact CE1-CZ 3.93Å; Y6-F32 AromaticContact CZ-CZ 3.77Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.27Å; G25-F32 WeakPolarHBondContact O-CD1 3.23Å; G25-F32 PolarHBondContact O-N 3.25Å; V27-F32 HydrophobicContact CG2-CD1 4Å; V27-F32 HydrophobicContact CG2-CE1 4.07Å; T30-F32 PolarHBondContact O-N 3.46Å; F32-R47 PolarHBondContact O-N 2.98Å; F32-A48 HydrophobicContact CB-CB 4.13Å; F32-W50 HydrophobicContact CB-CH2 3.11Å; F32-W50 HydrophobicContact CB-CZ2 3.4Å; F32-W50 HydrophobicContact CB-CZ3 3.89Å; F32-W50 AromaticContact CD1-CH2 3.99Å; F32-W50 HydrophobicContact CD1-CH2 3.99Å; F32-W50 AromaticContact CD2-CH2 4Å; F32-W50 HydrophobicContact CD2-CH2 4Å; F32-W50 HydrophobicContact CD2-CZ3 4.23Å; F32-W50 AromaticContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CH2 3.46Å; F32-W50 VanDerWaalsContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CZ2 4.2Å; F32-W50 HydrophobicContact CG-CZ3 4.14Å; F32-V51 HydrophobicContact CB-CG1 4.37Å; F32-V51 HydrophobicContact CD2-CB 4.46Å; F32-V51 HydrophobicContact CD2-CG2 4.13Å; F32-V51 VanDerWaalsContact O-CG1 3.25Å; F32-V51 WeakPolarHBondContact O-CG1 3.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.5Å; F32-Y170 AromaticContact CE2-CE2 3.8Å; F32-Y170 HydrophobicContact CE2-CE2 3.8Å; F32-Y170 AromaticContact CE2-CZ 3.92Å; F32-Y170 HydrophobicContact CZ-CD2 4.41Å; F32-Y170 AromaticContact CZ-CE2 3.82Å; F32-Y170 HydrophobicContact CZ-CE2 3.82Å
33V98.3Very high97.7Very high0 Ų044.5 Ų44.50%025%0.247CC..EExtended strand (participates in β ladder)trans-142.6148.4179.864.50000111.8Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG1 3.99Å; V24-V33 WeakPolarHBondContact CA-O 3.34Å; G25-V33 PolarHBondContact N-O 3.33Å; G25-V33 PolarHBondContact O-N 3.38Å; Q31-V33 PolarHBondContact NE2-O 3.37Å; V33-E45 WeakPolarHBondContact CA-O 3.33Å; V33-W59 HydrophobicContact CG2-CZ3 4.05Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.49Å; V33-Y66 HydrophobicContact CG2-CE2 4.19Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.38Å
34R98.4Very high97.6Very high88 Ų8844.8 Ų44.833%0.33225%0.25SS..EExtended strand (participates in β ladder)trans-137.7147170-179.9172.8170158.1-1.4110.6A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.33Å; V24-R34 HydrophobicContact CG1-CB 4.5Å; V24-R34 HydrophobicContact CG1-CG 4.28Å; R34-D36 IonicContact CZ-OD2 2.82Å; R34-D36 IonicContact NH2-OD2 3.6Å; R34-D36 PolarHBondContact NH2-OD2 3.35Å; R34-E45 PolarHBondContact N-O 3.03Å; R34-E45 PolarHBondContact O-N 3.44Å; R34-R47 HydrophobicContact CB-CG 3.91Å
35F98.8Very high97.6Very high3 Ų346.1 Ų46.11%0.01326%0.255CS..EExtended strand (participates in β ladder)trans-134.3141164.5175.9-82.5000108.7F21 I22 A23 P42 R43 T63 Y66 K67F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.78Å; F21-F35 HydrophobicContact CD1-CE1 3.78Å; F21-F35 AromaticContact CE1-CD1 3.87Å; F21-F35 HydrophobicContact CE1-CD1 3.87Å; F21-F35 HydrophobicContact CE1-CE1 4.22Å; I22-F35 WeakPolarHBondContact CA-O 3.42Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 2.89Å; A23-F35 PolarHBondContact O-N 3Å; F35-P42 HydrophobicContact CE1-CB 4.49Å; F35-P42 HydrophobicContact CE2-CB 3.86Å; F35-P42 HydrophobicContact CZ-CB 3.64Å; F35-R43 VanDerWaalsContact CD2-C 3.48Å; F35-R43 WeakPolarHBondContact CD2-O 3.49Å; F35-T63 HydrophobicContact CE2-CG2 4.46Å; F35-Y66 HydrophobicContact CB-CD1 4.32Å; F35-Y66 HydrophobicContact CB-CD2 3.54Å; F35-Y66 HydrophobicContact CB-CE2 4.01Å; F35-Y66 HydrophobicContact CB-CG 3.73Å; F35-Y66 HydrophobicContact CD1-CG 4.37Å; F35-Y66 AromaticContact CD2-CD2 3.69Å; F35-Y66 HydrophobicContact CD2-CD2 3.69Å; F35-Y66 AromaticContact CD2-CG 3.97Å; F35-Y66 HydrophobicContact CD2-CG 3.97Å; F35-Y66 AromaticContact CG-CD2 3.78Å; F35-Y66 HydrophobicContact CG-CD2 3.78Å; F35-Y66 AromaticContact CG-CG 3.77Å; F35-Y66 HydrophobicContact CG-CG 3.77Å; F35-K67 HydrophobicContact CE2-CG 4.25Å; F35-K67 HydrophobicContact CZ-CG 4.01Å
36D98.6Very high97.5Very high29 Ų2948.4 Ų48.416%0.15527%0.27CS..EExtended strand (participates in β ladder)trans-136.5118.6179.4-164.7-35.4000109.1H20 R34 D38 A39H20-D36 IonicContact CD2-OD1 3.59Å; H20-D36 IonicContact CE1-OD1 2.78Å; H20-D36 IonicContact NE2-OD1 3.01Å; H20-D36 PolarHBondContact NE2-OD1 3.04Å; H20-D36 IonicContact NE2-OD2 2.8Å; R34-D36 IonicContact CZ-OD2 2.82Å; R34-D36 IonicContact NH2-OD2 3.6Å; R34-D36 PolarHBondContact NH2-OD2 3.35Å; D36-D38 PolarHBondContact O-N 2.95Å; D36-D38 PolarHBondContact OD1-N 3.46Å; D36-A39 HydrophobicContact CB-CB 4.33Å; D36-A39 WeakPolarHBondContact O-CB 3.47Å; D36-A39 PolarHBondContact O-N 3.37Å
37S98.1Very high97.5Very high36 Ų3650.6 Ų50.625%0.25228%0.278SS..THydrogen-bonded Turntrans-69.9-20.5-17871.40000113.5H20 F21 A39 P42H20-S37 PolarHBondContact CD2-OG 3.02Å; F21-S37 PolarHBondContact N-OG 3.21Å; F21-S37 PolarHBondContact O-N 3.25Å; F21-S37 PolarHBondContact O-OG 3.44Å; S37-A39 VanDerWaalsContact C-N 3.34Å; S37-P42 WeakPolarHBondContact O-CG 3.31Å
38D97.1Very high97.3Very high87 Ų8750.8 Ų50.847%0.46528%0.279SS..THydrogen-bonded Turntrans-88.1-5179.4-73.12.1000112.1R13 H20 D36R13-D38 IonicContact CZ-OD2 2.66Å; R13-D38 VanDerWaalsContact CZ-OD2 3.23Å; R13-D38 IonicContact NH1-OD1 3Å; R13-D38 IonicContact NH1-OD2 3.3Å; R13-D38 PolarHBondContact NH1-OD2 3.46Å; R13-D38 IonicContact NH2-OD2 3.35Å; R13-D38 PolarHBondContact NH2-OD2 3.3Å; H20-D38 IonicContact CD2-OD1 3.88Å; H20-D38 PolarHBondContact CD2-OD1 2.88Å; H20-D38 IonicContact CD2-OD2 2.74Å; H20-D38 PolarHBondContact CD2-OD2 2.94Å; H20-D38 IonicContact CE1-OD2 3.13Å; H20-D38 IonicContact CG-OD1 3.47Å; H20-D38 IonicContact CG-OD2 3.97Å; H20-D38 IonicContact ND1-OD2 3.59Å; H20-D38 IonicContact NE2-OD2 3.93Å; D36-D38 PolarHBondContact O-N 2.95Å; D36-D38 PolarHBondContact OD1-N 3.46Å
39A97.1Very high97.3Very high34 Ų3454.1 Ų54.128%0.28130%0.303SS..SBendtrans-61.6148.9174.400000111.2D36 S37 S41 P42D36-A39 HydrophobicContact CB-CB 4.33Å; D36-A39 WeakPolarHBondContact O-CB 3.47Å; D36-A39 PolarHBondContact O-N 3.37Å; S37-A39 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.01Å; A39-S41 VanDerWaalsContact O-N 3.13Å; A39-P42 WeakPolarHBondContact O-CD 3.41Å; A39-P42 VanDerWaalsContact O-CG 3.28Å; A39-P42 WeakPolarHBondContact O-CG 3.18Å
40A96.5Very high97.2Very high118 Ų11851.8 Ų51.898%0.97529%0.289SS*.SBendtrans-58.1-31.1-179.600000113.3
41S95.9Very high97.2Very high79 Ų7950.3 Ų50.355%0.55228%0.28SS*.SBendtrans-135.289171.7-173.50000109.1A39 R43A39-S41 PolarHBondContact O-N 3.01Å; A39-S41 VanDerWaalsContact O-N 3.13Å; S41-R43 PolarHBondContact O-N 3.42Å; S41-R43 VanDerWaalsContact O-N 3.1Å
42P96.9Very high97.1Very high34 Ų3453.8 Ų53.822%0.22130%0.296CS..  trans-63.9112.8-174.6-24.735.7000112F35 S37 A39 K67F35-P42 HydrophobicContact CE1-CB 4.49Å; F35-P42 HydrophobicContact CE2-CB 3.86Å; F35-P42 HydrophobicContact CZ-CB 3.64Å; S37-P42 WeakPolarHBondContact O-CG 3.31Å; A39-P42 WeakPolarHBondContact O-CD 3.41Å; A39-P42 VanDerWaalsContact O-CG 3.28Å; A39-P42 WeakPolarHBondContact O-CG 3.18Å; P42-K67 WeakPolarHBondContact O-CE 3.36Å; P42-K67 PolarHBondContact O-NZ 2.95Å
43R97.7Very high96.9Very high150 Ų15059.5 Ų59.557%0.56632%0.323SS*.  trans-146.3159.5177.963.1-175.3170.4178.6-1.6110.9F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.48Å; F35-R43 WeakPolarHBondContact CD2-O 3.49Å; S41-R43 PolarHBondContact O-N 3.42Å; S41-R43 VanDerWaalsContact O-N 3.1Å; R43-E45 HydrophobicContact CG-CG 4.26Å; R43-E45 PolarHBondContact O-N 3.35Å; R43-T63 HydrophobicContact CB-CG2 4.24Å
44G97.4Very high96.9Very high6 Ų660 Ų606%0.06233%0.325CS..  trans-66.1128.7168.400000109.5T63G44-T63 PolarHBondContact N-OG1 3.5Å
45E97.6Very high96.7Very high55 Ų5557.5 Ų57.526%0.25733%0.327SS..EExtended strand (participates in β ladder)trans-117.5133.6-178.2-64.7178.9159.100110V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.33Å; R34-E45 PolarHBondContact N-O 3.03Å; R34-E45 PolarHBondContact O-N 3.44Å; R43-E45 HydrophobicContact CG-CG 4.26Å; R43-E45 PolarHBondContact O-N 3.35Å; E45-R47 IonicContact OE2-CZ 2.86Å; E45-R47 IonicContact OE2-NH2 3.7Å; E45-R47 PolarHBondContact OE2-NH2 2.96Å
46P97.8Very high96.6Very high48 Ų4862.1 Ų62.131%0.31236%0.357SS..EExtended strand (participates in β ladder)trans-65.4144.1173.628.5-33.9000110.6V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.75Å; P46-E52 HydrophobicContact CB-CG 3.75Å; P46-E52 HydrophobicContact CG-CG 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 3.8Å; P46-W59 HydrophobicContact CG-CH2 4.28Å; P46-W59 HydrophobicContact CG-CZ2 4.24Å
47R97.2Very high96.5Very high116 Ų11668.8 Ų68.844%0.43839%0.387SS..  trans-126.10.4174.6-60.3-64.2171.7-176.8-0.1113.2Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.48Å; Q31-R47 HydrophobicContact CG-CB 4.1Å; Q31-R47 HydrophobicContact CG-CG 4.35Å; Q31-R47 CarbonylContact O-C 3.56Å; F32-R47 PolarHBondContact O-N 2.98Å; R34-R47 HydrophobicContact CB-CG 3.91Å; E45-R47 IonicContact OE2-CZ 2.86Å; E45-R47 IonicContact OE2-NH2 3.7Å; E45-R47 PolarHBondContact OE2-NH2 2.96Å
48A95.5Very high96.5Very high4 Ų467.6 Ų67.63%0.03338%0.377CS..SBendtrans-138.6142.9173.500000110.8T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.46Å; F32-A48 HydrophobicContact CB-CB 4.13Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.13Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.95Å; A48-W50 PolarHBondContact O-N 3.3Å; A48-V51 WeakPolarHBondContact O-CG1 3.49Å; A48-V51 PolarHBondContact O-N 3.48Å
49P95.4Very high96.5Very high102 Ų10265.2 Ų65.266%0.66236%0.362SS*.Hα-helixtrans-57.5-37.1-177.4-26.934.8000113.8V51 E52P49-V51 PolarHBondContact O-N 3.11Å; P49-E52 WeakPolarHBondContact O-CB 3.32Å; P49-E52 PolarHBondContact O-N 2.9Å; P49-E52 VanDerWaalsContact O-N 3.11Å
50W95.3Very high96.6Very high15 Ų1568.7 Ų68.76%0.05738%0.376CS..Hα-helixtrans-70.1-13.6-175.853.4-106.9000114.4V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.39Å; V27-W50 HydrophobicContact CB-CZ2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.42Å; F32-W50 HydrophobicContact CB-CH2 3.11Å; F32-W50 HydrophobicContact CB-CZ2 3.4Å; F32-W50 HydrophobicContact CB-CZ3 3.89Å; F32-W50 AromaticContact CD1-CH2 3.99Å; F32-W50 HydrophobicContact CD1-CH2 3.99Å; F32-W50 AromaticContact CD2-CH2 4Å; F32-W50 HydrophobicContact CD2-CH2 4Å; F32-W50 HydrophobicContact CD2-CZ3 4.23Å; F32-W50 AromaticContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CH2 3.46Å; F32-W50 VanDerWaalsContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CZ2 4.2Å; F32-W50 HydrophobicContact CG-CZ3 4.14Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.13Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.95Å; A48-W50 PolarHBondContact O-N 3.3Å; W50-Q53 WeakPolarHBondContact O-CG 3.26Å; W50-Q53 PolarHBondContact O-NE2 2.84Å; W50-Y170 HydrophobicContact CE3-CD1 4.2Å; W50-Y170 HydrophobicContact CE3-CG 4.46Å; W50-Y170 HydrophobicContact CH2-CD1 4.49Å; W50-Y170 HydrophobicContact CH2-CG 4.11Å; W50-Y170 AromaticContact CZ3-CD1 3.54Å; W50-Y170 HydrophobicContact CZ3-CD1 3.54Å; W50-Y170 HydrophobicContact CZ3-CD2 4.31Å; W50-Y170 HydrophobicContact CZ3-CE1 4.28Å; W50-Y170 AromaticContact CZ3-CG 3.56Å; W50-Y170 HydrophobicContact CZ3-CG 3.56Å; W50-N173 HydrophobicContact CB-CB 4.47Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.37Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.15Å; W50-L178 HydrophobicContact CZ2-CG 4.4Å
51V96.9Very high96.6Very high0 Ų068.2 Ų68.20%035%0.349CS..Hα-helixtrans-95.2-15.217372.80000112.3F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.37Å; F32-V51 HydrophobicContact CD2-CB 4.46Å; F32-V51 HydrophobicContact CD2-CG2 4.13Å; F32-V51 VanDerWaalsContact O-CG1 3.25Å; F32-V51 WeakPolarHBondContact O-CG1 3.48Å; P46-V51 HydrophobicContact CB-CG1 3.75Å; A48-V51 WeakPolarHBondContact O-CG1 3.49Å; A48-V51 PolarHBondContact O-N 3.48Å; P49-V51 PolarHBondContact O-N 3.11Å; V51-Q53 PolarHBondContact O-N 2.81Å; V51-E54 HydrophobicContact CG2-CG 3.86Å; V51-E54 VanDerWaalsContact O-CB 3.29Å; V51-E54 WeakPolarHBondContact O-CB 3.43Å; V51-E54 WeakPolarHBondContact O-CG 3.23Å; V51-E54 PolarHBondContact O-N 2.87Å; V51-Y58 HydrophobicContact CG2-CE1 4.16Å; V51-W59 HydrophobicContact CG1-CH2 4.08Å; V51-W59 HydrophobicContact CG1-CZ2 4.3Å; V51-W59 HydrophobicContact CG2-CH2 3.98Å; V51-W59 HydrophobicContact CG2-CZ2 4.03Å; V51-W59 WeakPolarHBondContact O-CZ2 3.4Å; V51-Y170 HydrophobicContact CG2-CE1 4.31Å
52E95.2Very high96.6Very high125 Ų12564.7 Ų64.758%0.58432%0.323SS*.Hα-helixtrans-63.6-25.8-179.9-65.1-178.8-178.300112.9P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.75Å; P46-E52 HydrophobicContact CG-CG 3.98Å; P49-E52 WeakPolarHBondContact O-CB 3.32Å; P49-E52 PolarHBondContact O-N 2.9Å; P49-E52 VanDerWaalsContact O-N 3.11Å; E52-E54 PolarHBondContact O-N 3.05Å
53Q94.2Very high96.7Very high120 Ų12063.6 Ų63.656%0.56132%0.316SS*.THydrogen-bonded Turntrans-70.1-10.3174.967.6-174.5-2800114.1W50 V51 N173W50-Q53 WeakPolarHBondContact O-CG 3.26Å; W50-Q53 PolarHBondContact O-NE2 2.84Å; V51-Q53 PolarHBondContact O-N 2.81Å; Q53-N173 PolarHBondContact NE2-ND2 2.83Å
54E96.4Very high96.7Very high11 Ų1161.8 Ų61.85%0.05131%0.314CS..SBendtrans-66.9134.8175-66.4-61151.300110.9V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CG 3.86Å; V51-E54 VanDerWaalsContact O-CB 3.29Å; V51-E54 WeakPolarHBondContact O-CB 3.43Å; V51-E54 WeakPolarHBondContact O-CG 3.23Å; V51-E54 PolarHBondContact O-N 2.87Å; E52-E54 PolarHBondContact O-N 3.05Å; E54-Y58 HydrophobicContact CB-CD1 3.48Å; E54-Y58 VanDerWaalsContact CB-CD1 3.48Å; E54-Y58 HydrophobicContact CB-CE1 4.05Å; E54-Y58 HydrophobicContact CB-CG 3.78Å; E54-Y58 HydrophobicContact CG-CD1 4.04Å; E54-Y58 HydrophobicContact CG-CE1 4.21Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; E54-W59 PolarHBondContact O-NE1 2.94Å; E54-R169 IonicContact OE1-CZ 2.76Å; E54-R169 VanDerWaalsContact OE1-CZ 3.3Å; E54-R169 IonicContact OE1-NE 3.83Å; E54-R169 PolarHBondContact OE1-NE 2.9Å; E54-R169 IonicContact OE1-NH2 3.59Å; E54-R169 PolarHBondContact OE1-NH2 2.72Å; E54-R169 IonicContact OE2-CZ 2.7Å; E54-R169 IonicContact OE2-NE 3.98Å; E54-R169 IonicContact OE2-NH2 3.34Å; E54-R169 PolarHBondContact OE2-NH2 3.23Å; E54-N173 PolarHBondContact OE1-ND2 3.02Å
55G95.6Very high96.7Very high35 Ų3565.2 Ų65.236%0.36133%0.327SS..  trans-70.7169.8-174.500000114.3E57 Y58 W59G55-E57 VanDerWaalsContact C-N 3.26Å; G55-E57 PolarHBondContact O-N 3.31Å; G55-Y58 WeakPolarHBondContact O-CB 3.45Å; G55-Y58 PolarHBondContact O-N 2.67Å; G55-W59 PolarHBondContact O-N 2.83Å
56P96.6Very high96.8Very high100 Ų10062.6 Ų62.665%0.64932%0.315SS*.Hα-helixtrans-58-36.2-177.722.7-33.5000113.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.14Å; P56-W59 PolarHBondContact O-N 2.79Å; P56-W59 VanDerWaalsContact O-N 3.14Å; P56-D60 WeakPolarHBondContact O-CB 3.37Å; P56-D60 PolarHBondContact O-N 2.88Å
57E97.1Very high96.8Very high170 Ų17064.3 Ų64.379%0.79432%0.318SS*.Hα-helixtrans-59.8-35.3177.8-63.3-179.9179.600112.9G55 R61G55-E57 VanDerWaalsContact C-N 3.26Å; G55-E57 PolarHBondContact O-N 3.31Å; E57-R61 VanDerWaalsContact O-CB 3.25Å; E57-R61 WeakPolarHBondContact O-CB 3.33Å; E57-R61 PolarHBondContact O-N 3.27Å
58Y97.1Very high96.8Very high11 Ų1167.5 Ų67.54%0.04333%0.33CS..Hα-helixtrans-64.9-51.1174.8168-92.2000110.1V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.16Å; E54-Y58 HydrophobicContact CB-CD1 3.48Å; E54-Y58 VanDerWaalsContact CB-CD1 3.48Å; E54-Y58 HydrophobicContact CB-CE1 4.05Å; E54-Y58 HydrophobicContact CB-CG 3.78Å; E54-Y58 HydrophobicContact CG-CD1 4.04Å; E54-Y58 HydrophobicContact CG-CE1 4.21Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; G55-Y58 WeakPolarHBondContact O-CB 3.45Å; G55-Y58 PolarHBondContact O-N 2.67Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.14Å; Y58-D60 PolarHBondContact O-N 3.37Å; Y58-R61 PolarHBondContact O-N 2.92Å; Y58-E62 HydrophobicContact CD1-CG 4.4Å; Y58-E62 HydrophobicContact CD2-CG 4.19Å; Y58-E62 HydrophobicContact CE1-CG 4Å; Y58-E62 HydrophobicContact CE2-CG 3.75Å; Y58-E62 HydrophobicContact CG-CG 4.48Å; Y58-E62 WeakPolarHBondContact O-CG 3.4Å; Y58-E62 PolarHBondContact O-N 2.89Å; Y58-W166 AromaticContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CZ2 4.24Å; Y58-W166 AromaticContact CD2-CZ3 3.75Å; Y58-W166 HydrophobicContact CD2-CZ3 3.75Å; Y58-W166 HydrophobicContact CE2-CE3 4.19Å; Y58-W166 AromaticContact CE2-CH2 3.91Å; Y58-W166 HydrophobicContact CE2-CH2 3.91Å; Y58-W166 AromaticContact CE2-CZ3 3.71Å; Y58-W166 HydrophobicContact CE2-CZ3 3.71Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.24Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.2Å; Y58-Y170 PolarHBondContact OH-OH 2.84Å
59W97.8Very high96.9Very high37 Ų3768.4 Ų68.414%0.1433%0.333CS..Hα-helixtrans-64.9-38.3-178.1-66.9112.4000113V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG2-CZ3 4.05Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 3.8Å; P46-W59 HydrophobicContact CG-CH2 4.28Å; P46-W59 HydrophobicContact CG-CZ2 4.24Å; V51-W59 HydrophobicContact CG1-CH2 4.08Å; V51-W59 HydrophobicContact CG1-CZ2 4.3Å; V51-W59 HydrophobicContact CG2-CH2 3.98Å; V51-W59 HydrophobicContact CG2-CZ2 4.03Å; V51-W59 WeakPolarHBondContact O-CZ2 3.4Å; E54-W59 PolarHBondContact O-NE1 2.94Å; G55-W59 PolarHBondContact O-N 2.83Å; P56-W59 PolarHBondContact O-N 2.79Å; P56-W59 VanDerWaalsContact O-N 3.14Å; W59-T63 WeakPolarHBondContact O-CB 3.27Å; W59-T63 PolarHBondContact O-N 2.72Å; W59-T63 PolarHBondContact O-OG1 2.94Å
60D97.8Very high97.1Very high107 Ų10764.4 Ų64.457%0.57231%0.309SS*.Hα-helixtrans-63.5-47.1174.4-75.4-22.8000110.6P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.37Å; P56-D60 PolarHBondContact O-N 2.88Å; Y58-D60 PolarHBondContact O-N 3.37Å; D60-T63 PolarHBondContact O-N 2.69Å; D60-Q64 VanDerWaalsContact O-CG 3.31Å; D60-Q64 WeakPolarHBondContact O-CG 3.43Å; D60-Q64 PolarHBondContact O-N 3.29Å
61R96.9Very high97.2Very high107 Ų10768.7 Ų68.740%0.40433%0.329SS..Hα-helixtrans-62.6-47178.6-172.5-175.768.3-160.7-3.6112.1E57 Y58 Q64 K65E57-R61 VanDerWaalsContact O-CB 3.25Å; E57-R61 WeakPolarHBondContact O-CB 3.33Å; E57-R61 PolarHBondContact O-N 3.27Å; Y58-R61 PolarHBondContact O-N 2.92Å; R61-Q64 PolarHBondContact O-N 3.31Å; R61-K65 WeakPolarHBondContact O-CG 3.49Å; R61-K65 PolarHBondContact O-N 2.94Å
62E97.1Very high97.2Very high5 Ų571.9 Ų71.92%0.02335%0.349CS..Hα-helixtrans-64.5-41.8178.1-65.8-46.3118.800111.2Y58 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.4Å; Y58-E62 HydrophobicContact CD2-CG 4.19Å; Y58-E62 HydrophobicContact CE1-CG 4Å; Y58-E62 HydrophobicContact CE2-CG 3.75Å; Y58-E62 HydrophobicContact CG-CG 4.48Å; Y58-E62 WeakPolarHBondContact O-CG 3.4Å; Y58-E62 PolarHBondContact O-N 2.89Å; E62-Q64 VanDerWaalsContact C-N 3.33Å; E62-Q64 PolarHBondContact O-N 2.94Å; E62-K65 WeakPolarHBondContact O-CB 3.38Å; E62-K65 PolarHBondContact O-N 2.84Å; E62-K65 VanDerWaalsContact O-N 3.14Å; E62-K65 IonicContact OE1-NZ 3.59Å; E62-K65 PolarHBondContact OE1-NZ 3.1Å; E62-K65 IonicContact OE2-NZ 3.33Å; E62-Y66 HydrophobicContact CB-CE2 4Å; E62-Y66 WeakPolarHBondContact O-CD2 3.43Å; E62-Y66 PolarHBondContact O-N 2.97Å
63T98.3Very high97.4Very high12 Ų1266 Ų667%0.07432%0.322CS..Hα-helixtrans-57.7-44.4174.4-63.90000112F35 R43 G44 W59 D60 Y66 K67F35-T63 HydrophobicContact CE2-CG2 4.46Å; R43-T63 HydrophobicContact CB-CG2 4.24Å; G44-T63 PolarHBondContact N-OG1 3.5Å; W59-T63 WeakPolarHBondContact O-CB 3.27Å; W59-T63 PolarHBondContact O-N 2.72Å; W59-T63 PolarHBondContact O-OG1 2.94Å; D60-T63 PolarHBondContact O-N 2.69Å; T63-Y66 PolarHBondContact O-N 2.93Å; T63-K67 HydrophobicContact CG2-CD 4.14Å; T63-K67 WeakPolarHBondContact O-CG 3.31Å; T63-K67 PolarHBondContact O-N 3.4Å
64Q98.1Very high97.5Very high112 Ų11263.3 Ų63.352%0.52331%0.306SS..Hα-helixtrans-66.8-36.6177.5-68.2-57-31.600112.4D60 R61 E62 K67 R68D60-Q64 VanDerWaalsContact O-CG 3.31Å; D60-Q64 WeakPolarHBondContact O-CG 3.43Å; D60-Q64 PolarHBondContact O-N 3.29Å; R61-Q64 PolarHBondContact O-N 3.31Å; E62-Q64 VanDerWaalsContact C-N 3.33Å; E62-Q64 PolarHBondContact O-N 2.94Å; Q64-K67 PolarHBondContact O-N 2.94Å; Q64-R68 WeakPolarHBondContact O-CB 3.32Å; Q64-R68 PolarHBondContact O-N 3.04Å
65K97.1Very high97.6Very high77 Ų7766.3 Ų66.334%0.33533%0.325SS..Hα-helixtrans-61-48.7173.4-72.9173.9-179.4172.60111.3R61 E62 K67 R68 Q69R61-K65 WeakPolarHBondContact O-CG 3.49Å; R61-K65 PolarHBondContact O-N 2.94Å; E62-K65 WeakPolarHBondContact O-CB 3.38Å; E62-K65 PolarHBondContact O-N 2.84Å; E62-K65 VanDerWaalsContact O-N 3.14Å; E62-K65 IonicContact OE1-NZ 3.59Å; E62-K65 PolarHBondContact OE1-NZ 3.1Å; E62-K65 IonicContact OE2-NZ 3.33Å; K65-K67 PolarHBondContact O-N 3.41Å; K65-R68 PolarHBondContact O-N 2.91Å; K65-Q69 PolarHBondContact O-N 3Å
66Y98.4Very high97.7Very high0 Ų066.1 Ų66.10%032%0.319CS..Hα-helixtrans-61-43.7177.9-62.4-48.7000112.2Y8 F21 A23 V33 F35 E62 T63 R68 Q69 A70Y8-Y66 HydrophobicContact CE1-CD1 4.17Å; Y8-Y66 AromaticContact CE1-CE1 3.82Å; Y8-Y66 HydrophobicContact CE1-CE1 3.82Å; Y8-Y66 AromaticContact CZ-CE1 3.93Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.37Å; F21-Y66 HydrophobicContact CE1-CD1 4.48Å; A23-Y66 HydrophobicContact CB-CD1 3.58Å; A23-Y66 HydrophobicContact CB-CE1 3.64Å; A23-Y66 HydrophobicContact CB-CG 4.42Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.49Å; V33-Y66 HydrophobicContact CG2-CE2 4.19Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.38Å; F35-Y66 HydrophobicContact CB-CD1 4.32Å; F35-Y66 HydrophobicContact CB-CD2 3.54Å; F35-Y66 HydrophobicContact CB-CE2 4.01Å; F35-Y66 HydrophobicContact CB-CG 3.73Å; F35-Y66 HydrophobicContact CD1-CG 4.37Å; F35-Y66 AromaticContact CD2-CD2 3.69Å; F35-Y66 HydrophobicContact CD2-CD2 3.69Å; F35-Y66 AromaticContact CD2-CG 3.97Å; F35-Y66 HydrophobicContact CD2-CG 3.97Å; F35-Y66 AromaticContact CG-CD2 3.78Å; F35-Y66 HydrophobicContact CG-CD2 3.78Å; F35-Y66 AromaticContact CG-CG 3.77Å; F35-Y66 HydrophobicContact CG-CG 3.77Å; E62-Y66 HydrophobicContact CB-CE2 4Å; E62-Y66 WeakPolarHBondContact O-CD2 3.43Å; E62-Y66 PolarHBondContact O-N 2.97Å; T63-Y66 PolarHBondContact O-N 2.93Å; Y66-R68 PolarHBondContact O-N 3.4Å; Y66-Q69 PolarHBondContact O-N 3.34Å; Y66-A70 WeakPolarHBondContact O-CB 3.41Å; Y66-A70 PolarHBondContact O-N 2.86Å
67K98.2Very high97.7Very high84 Ų8461.8 Ų61.837%0.36529%0.29SS..Hα-helixtrans-61.9-41.3176.2-74.8177.6178175.30112.5F35 P42 T63 Q64 K65 A70 Q71F35-K67 HydrophobicContact CE2-CG 4.25Å; F35-K67 HydrophobicContact CZ-CG 4.01Å; P42-K67 WeakPolarHBondContact O-CE 3.36Å; P42-K67 PolarHBondContact O-NZ 2.95Å; T63-K67 HydrophobicContact CG2-CD 4.14Å; T63-K67 WeakPolarHBondContact O-CG 3.31Å; T63-K67 PolarHBondContact O-N 3.4Å; Q64-K67 PolarHBondContact O-N 2.94Å; K65-K67 PolarHBondContact O-N 3.41Å; K67-A70 PolarHBondContact O-N 3.48Å; K67-Q71 PolarHBondContact O-N 3.29Å
68R98.1Very high97.7Very high183 Ų18359.8 Ų59.869%0.69128%0.275SS*.Hα-helixtrans-64.2-45.4175.6-170.3-174.8-59.7169.91.5110.9Q64 K65 Y66 A70 Q71 T72Q64-R68 WeakPolarHBondContact O-CB 3.32Å; Q64-R68 PolarHBondContact O-N 3.04Å; K65-R68 PolarHBondContact O-N 2.91Å; Y66-R68 PolarHBondContact O-N 3.4Å; R68-A70 PolarHBondContact O-N 2.91Å; R68-Q71 PolarHBondContact O-N 2.92Å; R68-T72 PolarHBondContact O-N 2.92Å; R68-T72 PolarHBondContact O-OG1 3.49Å
69Q98.2Very high97.7Very high23 Ų2362.8 Ų62.811%0.10729%0.292CS..Hα-helixtrans-62-42.6177.7-173.46752.100112Y8 F21 K65 Y66 Q71 T72 D73Y8-Q69 HydrophobicContact CD2-CG 3.55Å; Y8-Q69 HydrophobicContact CE2-CB 4.25Å; Y8-Q69 HydrophobicContact CE2-CG 3.66Å; F21-Q69 HydrophobicContact CE2-CB 4.27Å; F21-Q69 HydrophobicContact CE2-CG 3.74Å; F21-Q69 HydrophobicContact CZ-CB 3.98Å; F21-Q69 HydrophobicContact CZ-CG 3.81Å; K65-Q69 PolarHBondContact O-N 3Å; Y66-Q69 PolarHBondContact O-N 3.34Å; Q69-Q71 VanDerWaalsContact C-N 3.25Å; Q69-Q71 PolarHBondContact O-N 3.34Å; Q69-T72 CarbonylContact O-C 3.48Å; Q69-T72 WeakPolarHBondContact O-CA 3.36Å; Q69-T72 WeakPolarHBondContact O-CB 3.04Å; Q69-T72 PolarHBondContact O-N 3.48Å; Q69-D73 PolarHBondContact NE2-OD1 3.4Å; Q69-D73 PolarHBondContact O-N 3.34Å
70A98.2Very high97.7Very high18 Ų1861.2 Ų61.215%0.14929%0.286CS..Hα-helixtrans-57.5-39176.300000112.2F21 Y66 K67 R68 R74F21-A70 HydrophobicContact CB-CB 3.75Å; F21-A70 HydrophobicContact CD1-CB 3.82Å; F21-A70 HydrophobicContact CD2-CB 4.11Å; F21-A70 HydrophobicContact CE1-CB 4.46Å; F21-A70 HydrophobicContact CG-CB 3.62Å; Y66-A70 WeakPolarHBondContact O-CB 3.41Å; Y66-A70 PolarHBondContact O-N 2.86Å; K67-A70 PolarHBondContact O-N 3.48Å; R68-A70 PolarHBondContact O-N 2.91Å; A70-R74 WeakPolarHBondContact O-CB 3.39Å; A70-R74 PolarHBondContact O-N 3.42Å
71Q97.8Very high97.7Very high105 Ų10559.2 Ų59.249%0.49127%0.271SS..Hα-helixtrans-69.2-40.4173.6-65-55.2-4300112.4K67 R68 Q69 R74 V75K67-Q71 PolarHBondContact O-N 3.29Å; R68-Q71 PolarHBondContact O-N 2.92Å; Q69-Q71 VanDerWaalsContact C-N 3.25Å; Q69-Q71 PolarHBondContact O-N 3.34Å; Q71-R74 WeakPolarHBondContact O-CB 2.94Å; Q71-R74 PolarHBondContact O-N 2.92Å; Q71-V75 WeakPolarHBondContact O-CG2 3.19Å; Q71-V75 PolarHBondContact O-N 3.37Å; Q71-V75 VanDerWaalsContact O-N 3.16Å
72T97.8Very high97.7Very high67 Ų6756.1 Ų56.141%0.41127%0.272SS..Hα-helixtrans-58.9-49.1173.7-610000110.8R68 Q69 R74 V75 S76R68-T72 PolarHBondContact O-N 2.92Å; R68-T72 PolarHBondContact O-OG1 3.49Å; Q69-T72 CarbonylContact O-C 3.48Å; Q69-T72 WeakPolarHBondContact O-CA 3.36Å; Q69-T72 WeakPolarHBondContact O-CB 3.04Å; Q69-T72 PolarHBondContact O-N 3.48Å; T72-R74 VanDerWaalsContact C-N 3.32Å; T72-R74 PolarHBondContact O-N 3.37Å; T72-V75 PolarHBondContact O-N 2.9Å; T72-V75 VanDerWaalsContact O-N 3.08Å; T72-S76 PolarHBondContact O-N 3.2Å; T72-S76 PolarHBondContact O-OG 3.42Å; T72-S76 VanDerWaalsContact O-OG 3.09Å
73D97.9Very high97.7Very high2 Ų258.6 Ų58.61%0.01128%0.282CS..Hα-helixtrans-67.1-33.9-177.7-70.5-9.1000112.1A10 F21 Q69 V75 S76 L77 I94A10-D73 HydrophobicContact CB-CB 3.63Å; F21-D73 VanDerWaalsContact CE2-OD2 3.26Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.4Å; Q69-D73 PolarHBondContact NE2-OD1 3.4Å; Q69-D73 PolarHBondContact O-N 3.34Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 2.95Å; D73-S76 PolarHBondContact O-N 3.25Å; D73-L77 WeakPolarHBondContact O-CB 3.37Å; D73-L77 VanDerWaalsContact O-CG 3.28Å; D73-L77 WeakPolarHBondContact O-CG 3.42Å; D73-L77 PolarHBondContact O-N 2.92Å; D73-I94 HydrophobicContact CB-CG2 4.09Å
74R97.4Very high97.7Very high64 Ų6461.1 Ų61.124%0.24229%0.29CS..Hα-helixtrans-58.1-44.7170176-169-177.9-1632.8112E18 P19 A70 Q71 T72 R78E18-R74 VanDerWaalsContact CD-NE 3.28Å; E18-R74 IonicContact OE1-CZ 3.65Å; E18-R74 IonicContact OE1-NE 2.69Å; E18-R74 IonicContact OE1-NH1 2.85Å; E18-R74 IonicContact OE1-NH2 3.26Å; E18-R74 PolarHBondContact OE1-NH2 2.88Å; E18-R74 VanDerWaalsContact OE2-CD 3.3Å; E18-R74 WeakPolarHBondContact OE2-CD 3.46Å; E18-R74 IonicContact OE2-CZ 3.56Å; E18-R74 IonicContact OE2-NE 3.2Å; E18-R74 PolarHBondContact OE2-NE 2.89Å; E18-R74 IonicContact OE2-NH2 3.25Å; E18-R74 PolarHBondContact OE2-NH2 3.31Å; P19-R74 HydrophobicContact CG-CB 4.25Å; P19-R74 HydrophobicContact CG-CG 4.14Å; A70-R74 WeakPolarHBondContact O-CB 3.39Å; A70-R74 PolarHBondContact O-N 3.42Å; Q71-R74 WeakPolarHBondContact O-CB 2.94Å; Q71-R74 PolarHBondContact O-N 2.92Å; T72-R74 VanDerWaalsContact C-N 3.32Å; T72-R74 PolarHBondContact O-N 3.37Å; R74-R78 VanDerWaalsContact CZ-NH2 3.33Å; R74-R78 PolarHBondContact O-N 3.05Å
75V97.4Very high97.6Very high73 Ų7363 Ų6344%0.44230%0.304SS..Hα-helixtrans-69.5-42.3176.61760000110.4Q71 T72 D73 L77 R78 N79Q71-V75 WeakPolarHBondContact O-CG2 3.19Å; Q71-V75 PolarHBondContact O-N 3.37Å; Q71-V75 VanDerWaalsContact O-N 3.16Å; T72-V75 PolarHBondContact O-N 2.9Å; T72-V75 VanDerWaalsContact O-N 3.08Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 2.95Å; V75-L77 PolarHBondContact O-N 3.31Å; V75-R78 WeakPolarHBondContact O-CB 3.42Å; V75-R78 PolarHBondContact O-N 3.31Å; V75-R78 VanDerWaalsContact O-N 3.16Å; V75-N79 PolarHBondContact O-N 3Å
76S97.8Very high97.6Very high32 Ų3262 Ų6222%0.22430%0.301CS..Hα-helixtrans-58.4-44.9176.8-630000112T72 D73 R78 N79 L80T72-S76 PolarHBondContact O-N 3.2Å; T72-S76 PolarHBondContact O-OG 3.42Å; T72-S76 VanDerWaalsContact O-OG 3.09Å; D73-S76 PolarHBondContact O-N 3.25Å; S76-R78 VanDerWaalsContact C-N 3.28Å; S76-R78 PolarHBondContact O-N 3.27Å; S76-N79 PolarHBondContact O-N 2.79Å; S76-N79 VanDerWaalsContact O-N 3.14Å; S76-L80 WeakPolarHBondContact O-CB 3.17Å; S76-L80 VanDerWaalsContact O-CG 3.23Å; S76-L80 WeakPolarHBondContact O-CG 3.41Å; S76-L80 PolarHBondContact O-N 3.41Å
77L98Very high97.4Very high9 Ų965.7 Ų65.75%0.04733%0.327CS..Hα-helixtrans-58-38.2176.5-77.8165.2000112.4A10 P19 D73 V75 R81 H92 I94 Y117A10-L77 HydrophobicContact CB-CD1 4.07Å; P19-L77 HydrophobicContact CB-CD1 3.63Å; P19-L77 HydrophobicContact CG-CD1 3.77Å; D73-L77 WeakPolarHBondContact O-CB 3.37Å; D73-L77 VanDerWaalsContact O-CG 3.28Å; D73-L77 WeakPolarHBondContact O-CG 3.42Å; D73-L77 PolarHBondContact O-N 2.92Å; V75-L77 PolarHBondContact O-N 3.31Å; L77-R81 VanDerWaalsContact O-CB 3.31Å; L77-R81 WeakPolarHBondContact O-CB 3.1Å; L77-R81 PolarHBondContact O-N 3.37Å; L77-R81 VanDerWaalsContact O-N 3.15Å; L77-H92 HydrophobicContact CD2-CB 4.16Å; L77-I94 HydrophobicContact CD1-CG2 4.27Å; L77-I94 HydrophobicContact CD2-CB 4.11Å; L77-I94 HydrophobicContact CD2-CG2 3.89Å; L77-I94 HydrophobicContact CG-CB 4.49Å; L77-I94 HydrophobicContact CG-CG2 3.82Å; L77-Y117 HydrophobicContact CD2-CE2 4.13Å
78R96.1Very high97Very high127 Ų12767.9 Ų67.948%0.47934%0.338SS..Hα-helixtrans-69-43.4175.4-66.4177.5-1711701.2112R74 V75 S76 G82R74-R78 VanDerWaalsContact CZ-NH2 3.33Å; R74-R78 PolarHBondContact O-N 3.05Å; V75-R78 WeakPolarHBondContact O-CB 3.42Å; V75-R78 PolarHBondContact O-N 3.31Å; V75-R78 VanDerWaalsContact O-N 3.16Å; S76-R78 VanDerWaalsContact C-N 3.28Å; S76-R78 PolarHBondContact O-N 3.27Å; R78-G82 PolarHBondContact O-N 2.79Å
79N97.3Very high96.8Very high74 Ų7463.2 Ų63.240%0.39634%0.338SS..Hα-helixtrans-64.5-47.9179.2-70.1-19000111.4V75 S76 G82 Y83V75-N79 PolarHBondContact O-N 3Å; S76-N79 PolarHBondContact O-N 2.79Å; S76-N79 VanDerWaalsContact O-N 3.14Å; N79-G82 CarbonylContact O-C 3.57Å; N79-G82 WeakPolarHBondContact O-CA 3.41Å; N79-G82 PolarHBondContact O-N 3.28Å; N79-Y83 HydrophobicContact CB-CE2 4.45Å; N79-Y83 WeakPolarHBondContact O-CD1 3.32Å; N79-Y83 PolarHBondContact O-N 2.98Å
80L97.9Very high96.5Very high5 Ų569.8 Ų69.83%0.02636%0.362CS..Hα-helixtrans-59.8-48179.6-71166.4000111.1S76 G82 Y83 Y84 I94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.17Å; S76-L80 VanDerWaalsContact O-CG 3.23Å; S76-L80 WeakPolarHBondContact O-CG 3.41Å; S76-L80 PolarHBondContact O-N 3.41Å; L80-G82 PolarHBondContact O-N 2.82Å; L80-Y83 HydrophobicContact CD2-CD2 4.47Å; L80-Y83 PolarHBondContact O-N 2.83Å; L80-Y83 VanDerWaalsContact O-N 3.07Å; L80-Y84 HydrophobicContact CD2-CE2 4.2Å; L80-Y84 VanDerWaalsContact O-CD2 3.22Å; L80-Y84 WeakPolarHBondContact O-CD2 3.49Å; L80-Y84 PolarHBondContact O-N 3.15Å; L80-I94 HydrophobicContact CD1-CD1 3.74Å; L80-I94 HydrophobicContact CD1-CG1 4.27Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 3.99Å; L80-Y117 HydrophobicContact CB-CE2 3.82Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD2 3.57Å; L80-Y117 HydrophobicContact CD1-CE2 3.9Å; L80-Y117 HydrophobicContact CD1-CG 4.01Å; L80-Y117 HydrophobicContact CG-CD2 4.4Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; L80-Y122 HydrophobicContact CD2-CD1 4.41Å; L80-Y122 HydrophobicContact CD2-CD2 4Å; L80-Y122 HydrophobicContact CD2-CE1 3.84Å; L80-Y122 HydrophobicContact CD2-CE2 3.34Å; L80-Y122 HydrophobicContact CD2-CG 4.49Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.36Å
81R96.8Very high96.5Very high64 Ų6471.7 Ų71.724%0.24237%0.374CS..Hα-helixtrans-53.2-41.4173.8-175.1-170.965.8177.211111.9L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.31Å; L77-R81 WeakPolarHBondContact O-CB 3.1Å; L77-R81 PolarHBondContact O-N 3.37Å; L77-R81 VanDerWaalsContact O-N 3.15Å; R81-N85 PolarHBondContact O-N 2.86Å; R81-N85 VanDerWaalsContact O-N 3.15Å; R81-Q86 HydrophobicContact CG-CB 3.85Å; R81-Q86 WeakPolarHBondContact CG-O 3.46Å; R81-Q86 PolarHBondContact O-N 3.31Å; R81-E88 IonicContact CZ-OE1 2.72Å; R81-E88 VanDerWaalsContact CZ-OE1 3.25Å; R81-E88 IonicContact NH1-OE1 3.95Å; R81-E88 PolarHBondContact NH1-OE1 2.03Å; R81-E88 IonicContact NH2-OE1 2.67Å; R81-E88 PolarHBondContact NH2-OE1 3.22Å
82G96.8Very high96.5Very high43 Ų4366.8 Ų66.844%0.44335%0.352SS..Hα-helixtrans-66-47.3175.300000113.2R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 2.79Å; N79-G82 CarbonylContact O-C 3.57Å; N79-G82 WeakPolarHBondContact O-CA 3.41Å; N79-G82 PolarHBondContact O-N 3.28Å; L80-G82 PolarHBondContact O-N 2.82Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.83Å; G82-N85 PolarHBondContact O-N 3.21Å; G82-N85 VanDerWaalsContact O-N 3.1Å; G82-N85 PolarHBondContact O-OD1 3.49Å
83Y97.7Very high96.5Very high57 Ų5766.6 Ų66.622%0.22435%0.347CS..Hα-helixtrans-60.2-36.4179-61.6-17000112.6N79 L80 I141 K145N79-Y83 HydrophobicContact CB-CE2 4.45Å; N79-Y83 WeakPolarHBondContact O-CD1 3.32Å; N79-Y83 PolarHBondContact O-N 2.98Å; L80-Y83 HydrophobicContact CD2-CD2 4.47Å; L80-Y83 PolarHBondContact O-N 2.83Å; L80-Y83 VanDerWaalsContact O-N 3.07Å; Y83-I141 HydrophobicContact CD1-CD1 4.09Å; Y83-I141 HydrophobicContact CD2-CD1 4.49Å; Y83-I141 HydrophobicContact CE1-CD1 4.39Å; Y83-I141 HydrophobicContact CE1-CG2 4.09Å; Y83-I141 HydrophobicContact CE2-CB 4.28Å; Y83-I141 HydrophobicContact CE2-CG2 4.15Å; Y83-I141 HydrophobicContact CG-CD1 4.16Å; Y83-K145 PolarHBondContact OH-NZ 3.31Å
84Y97.7Very high96.5Very high64 Ų6466.8 Ų66.825%0.25135%0.348SS..THydrogen-bonded Turntrans-90.84.1178.5-68.9-70.9000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.2Å; L80-Y84 VanDerWaalsContact O-CD2 3.22Å; L80-Y84 WeakPolarHBondContact O-CD2 3.49Å; L80-Y84 PolarHBondContact O-N 3.15Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.83Å; Y84-Q86 VanDerWaalsContact C-N 3.26Å; Y84-Q86 PolarHBondContact O-N 2.95Å; Y84-Y117 AromaticContact CD2-CD1 3.74Å; Y84-Y117 HydrophobicContact CD2-CD1 3.74Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; 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 3.78Å; Y84-Y117 HydrophobicContact CE2-CE1 3.78Å; Y84-Y117 HydrophobicContact CG-CE1 4.41Å; Y84-Y122 HydrophobicContact CE2-CD2 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.12Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.45Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.46Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.4Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.24Å; Y84-D136 PolarHBondContact OH-OD1 3.49Å; Y84-D136 PolarHBondContact OH-OD2 3.07Å; Y84-A138 HydrophobicContact CD1-CB 4.19Å; Y84-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CE1-CB 3.64Å; Y84-A138 HydrophobicContact CE2-CB 3.89Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å
85N96.7Very high96.6Very high152 Ų15267.5 Ų67.581%0.81335%0.354SS*.THydrogen-bonded Turntrans51.742.2-177.9-58.9-57.5000113.5R81 G82R81-N85 PolarHBondContact O-N 2.86Å; R81-N85 VanDerWaalsContact O-N 3.15Å; G82-N85 PolarHBondContact O-N 3.21Å; G82-N85 VanDerWaalsContact O-N 3.1Å; G82-N85 PolarHBondContact O-OD1 3.49Å
86Q96.6Very high96.7Very high56 Ų5665.5 Ų65.526%0.26234%0.339SS..  trans-92.1153.6-174.9-69.5168.2-25.900112.5R81 Y84 H92 Y117R81-Q86 HydrophobicContact CG-CB 3.85Å; R81-Q86 WeakPolarHBondContact CG-O 3.46Å; R81-Q86 PolarHBondContact O-N 3.31Å; Y84-Q86 VanDerWaalsContact C-N 3.26Å; Y84-Q86 PolarHBondContact O-N 2.95Å; Q86-H92 PolarHBondContact OE1-CE1 2.89Å; Q86-H92 PolarHBondContact OE1-ND1 2.93Å; Q86-Y117 PolarHBondContact OE1-OH 2.98Å
87S94.3Very high96.7Very high78 Ų7865.1 Ų65.155%0.54533%0.334SS..  trans-67.4145.8179.2175.60000112.6A89S87-A89 PolarHBondContact O-N 3.46Å; S87-A89 PolarHBondContact OG-N 2.74Å
88E91.6Very high96.7Very high130 Ų13065.6 Ų65.661%0.60734%0.335SS*.THydrogen-bonded Turntrans-69-20.1174.3-52.5-154129.100113.7P14 R81 R90P14-E88 VanDerWaalsContact CB-O 3.29Å; P14-E88 WeakPolarHBondContact CB-O 3.41Å; P14-E88 VanDerWaalsContact CG-O 3.22Å; P14-E88 WeakPolarHBondContact CG-O 3.18Å; R81-E88 IonicContact CZ-OE1 2.72Å; R81-E88 VanDerWaalsContact CZ-OE1 3.25Å; R81-E88 IonicContact NH1-OE1 3.95Å; R81-E88 PolarHBondContact NH1-OE1 2.03Å; R81-E88 IonicContact NH2-OE1 2.67Å; R81-E88 PolarHBondContact NH2-OE1 3.22Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.41Å
89A92.3Very high96.9Very high84 Ų8459.5 Ų59.569%0.69431%0.312SS*.THydrogen-bonded Turntrans-78.4-14.5-176.300000113.4S87S87-A89 PolarHBondContact O-N 3.46Å; S87-A89 PolarHBondContact OG-N 2.74Å
90R93.4Very high96.9Very high162 Ų16256 Ų5661%0.61129%0.293SS*.SBendtrans-92.7138.9-176.1-175.3172.2176.4167.10.6111.1P14 E88 H92P14-R90 VanDerWaalsContact CG-O 3.31Å; P14-R90 WeakPolarHBondContact CG-O 3.32Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.41Å; R90-H92 PolarHBondContact O-CD2 3.43Å
91S97.1Very high97Very high57 Ų5757.1 Ų57.140%0.39930%0.299SS..  trans-77.1138.4169.7178.20000110S12S12-S91 VanDerWaalsContact O-CB 3.32Å; S12-S91 WeakPolarHBondContact O-CB 3.48Å; S12-S91 PolarHBondContact O-OG 3.03Å
92H98.1Very high97Very high3 Ų354.2 Ų54.21%0.01429%0.289CS..  trans-132.1152-177.6-66-75.4000110S12 L77 Q86 R90 Y117 D118S12-H92 PolarHBondContact N-O 3.25Å; S12-H92 PolarHBondContact OG-N 2.89Å; S12-H92 PolarHBondContact OG-O 2.65Å; L77-H92 HydrophobicContact CD2-CB 4.16Å; Q86-H92 PolarHBondContact OE1-CE1 2.89Å; Q86-H92 PolarHBondContact OE1-ND1 2.93Å; R90-H92 PolarHBondContact O-CD2 3.43Å; H92-Y117 HydrophobicContact CB-CE2 3.85Å; H92-Y117 WeakPolarHBondContact CB-OH 3.37Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 AromaticContact ND1-CZ 3.89Å; H92-Y117 PolarHBondContact ND1-OH 3.43Å; H92-D118 WeakPolarHBondContact CA-OD1 3.41Å; H92-D118 WeakPolarHBondContact CB-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 2.78Å; H92-D118 IonicContact CG-OD1 3.28Å; H92-D118 IonicContact CG-OD2 3.32Å; H92-D118 IonicContact ND1-OD1 2.76Å; H92-D118 PolarHBondContact ND1-OD1 2.91Å; H92-D118 IonicContact ND1-OD2 2.9Å; H92-D118 PolarHBondContact ND1-OD2 3.1Å
93I98.3Very high97Very high63 Ų6352.3 Ų52.332%0.32327%0.269SS..EExtended strand (participates in β ladder)trans-123.9131.8-176.3-54.3177.5000108.8T9 A10 V11 Q95 Y117 D118T9-I93 HydrophobicContact CG2-CG2 3.92Å; A10-I93 WeakPolarHBondContact O-CA 3.39Å; V11-I93 HydrophobicContact CG1-CG1 4.15Å; V11-I93 HydrophobicContact CG2-CG1 4.14Å; V11-I93 HydrophobicContact CG2-CG2 4.3Å; I93-Q95 HydrophobicContact CG2-CG 3.91Å; I93-Y117 WeakPolarHBondContact O-CA 3.49Å; I93-Y117 WeakPolarHBondContact O-CD2 3.5Å; I93-D118 PolarHBondContact N-OD1 3.47Å; I93-D118 PolarHBondContact O-N 3.29Å
94I98.4Very high96.8Very high5 Ų555.9 Ų55.93%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-114.4134.6163.5-171178.6000108.5A10 D73 L77 L80 Y115 A116 Y117A10-I94 HydrophobicContact CB-CG2 3.71Å; A10-I94 PolarHBondContact N-O 3.2Å; A10-I94 PolarHBondContact O-N 3.19Å; D73-I94 HydrophobicContact CB-CG2 4.09Å; L77-I94 HydrophobicContact CD1-CG2 4.27Å; L77-I94 HydrophobicContact CD2-CB 4.11Å; L77-I94 HydrophobicContact CD2-CG2 3.89Å; L77-I94 HydrophobicContact CG-CB 4.49Å; L77-I94 HydrophobicContact CG-CG2 3.82Å; L80-I94 HydrophobicContact CD1-CD1 3.74Å; L80-I94 HydrophobicContact CD1-CG1 4.27Å; I94-Y115 HydrophobicContact CD1-CD1 3.98Å; I94-Y115 HydrophobicContact CD1-CE1 4.43Å; I94-Y115 HydrophobicContact CG1-CD1 4.25Å; I94-A116 WeakPolarHBondContact CA-O 3.43Å; I94-Y117 HydrophobicContact CB-CD2 4.46Å
95Q98.8Very high96.6Very high80 Ų8057.4 Ų57.437%0.37431%0.312SS..EExtended strand (participates in β ladder)trans-122.4143.8176.6-63.7172.6-85.700109Y8 T9 I93 Y115 A116Y8-Q95 CarbonylContact O-C 3.57Å; Y8-Q95 VanDerWaalsContact O-CA 3.26Å; Y8-Q95 WeakPolarHBondContact O-CA 3.49Å; T9-Q95 HydrophobicContact CG2-CG 4.13Å; I93-Q95 HydrophobicContact CG2-CG 3.91Å; Q95-Y115 CarbonylContact O-C 3.57Å; Q95-Y115 VanDerWaalsContact O-CA 3.23Å; Q95-Y115 WeakPolarHBondContact O-CA 3.25Å; Q95-A116 HydrophobicContact CB-CB 4.4Å; Q95-A116 PolarHBondContact N-O 3.05Å; Q95-A116 PolarHBondContact O-N 2.86Å
96R98.6Very high96.5Very high30 Ų3050.8 Ų50.811%0.11328%0.279CS..EExtended strand (participates in β ladder)trans-129.1133.2172.4-175.5-168.1-175.3177.50.3109F7 Y8 Y98 D113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.29Å; Y8-R96 PolarHBondContact N-O 3.18Å; Y8-R96 PolarHBondContact O-N 2.97Å; R96-Y98 HydrophobicContact CG-CD1 4.26Å; R96-D113 IonicContact CZ-OD1 3.79Å; R96-D113 IonicContact NE-OD1 3.06Å; R96-D113 PolarHBondContact NE-OD1 3.49Å; R96-D113 IonicContact NH2-OD1 2.66Å; R96-D113 PolarHBondContact NH2-OD1 3.44Å; R96-Q114 CarbonylContact C-O 3.55Å; R96-Q114 WeakPolarHBondContact CA-O 3.37Å; R96-Y115 HydrophobicContact CB-CD1 3.84Å; R96-Y115 HydrophobicContact CB-CE1 3.7Å; R96-Y115 HydrophobicContact CB-CG 4.41Å; R96-Y115 VanDerWaalsContact CD-OH 3.25Å; R96-Y115 WeakPolarHBondContact CD-OH 3.21Å; R96-Y115 HydrophobicContact CG-CD1 4.05Å; R96-Y115 HydrophobicContact CG-CD2 4.18Å; R96-Y115 HydrophobicContact CG-CE1 3.67Å; R96-Y115 HydrophobicContact CG-CE2 3.78Å; R96-Y115 HydrophobicContact CG-CG 4.31Å; R96-Y115 VanDerWaalsContact CZ-OH 3.25Å; R96-Y115 PolarHBondContact NE-OH 3.2Å; R96-Y115 VanDerWaalsContact NE-OH 3.12Å; R96-Y115 PolarHBondContact NH1-OH 3.21Å
97M98.7Very high96.4Very high24 Ų2456.4 Ų56.412%0.11830%0.298CS..EExtended strand (participates in β ladder)trans-119.7129.6164.7-175.7-78.5-73.800108.5Y6 F7 Y112 D113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.47Å; F7-M97 HydrophobicContact CD1-CB 3.97Å; F7-M97 HydrophobicContact CD1-CG 3.63Å; F7-M97 HydrophobicContact CE1-CB 4.12Å; F7-M97 HydrophobicContact CE1-CG 3.36Å; F7-M97 HydrophobicContact CG-CG 4.47Å; F7-M97 HydrophobicContact CZ-CG 4.01Å; M97-Y112 HydrophobicContact CE-CD1 4.13Å; M97-Y112 HydrophobicContact CE-CG 4.21Å; M97-D113 WeakPolarHBondContact O-CA 3.38Å; M97-Q114 HydrophobicContact CB-CG 4.09Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.89Å; M97-Q114 PolarHBondContact N-O 2.96Å; M97-Q114 PolarHBondContact O-N 2.83Å
98Y98.7Very high96.6Very high19 Ų1955 Ų558%0.07528%0.284CS..EExtended strand (participates in β ladder)trans-145.6156.817374.9-85.1000110.7Y6 Y8 R96 Y112 D113 Y158Y6-Y98 VanDerWaalsContact CB-CZ 3.48Å; Y6-Y98 HydrophobicContact CD2-CD2 4.44Å; Y6-Y98 HydrophobicContact CD2-CE1 4.39Å; Y6-Y98 AromaticContact CD2-CE2 3.64Å; Y6-Y98 HydrophobicContact CD2-CE2 3.64Å; Y6-Y98 AromaticContact CD2-CZ 3.6Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.36Å; Y6-Y98 HydrophobicContact CE2-CE2 4.34Å; Y6-Y98 HydrophobicContact CG-CE1 4.08Å; Y6-Y98 HydrophobicContact CG-CE2 4.15Å; Y6-Y98 AromaticContact CG-CZ 3.63Å; Y6-Y98 PolarHBondContact N-O 2.95Å; Y6-Y98 PolarHBondContact O-N 3.38Å; Y6-Y98 VanDerWaalsContact O-N 3.11Å; Y8-Y98 HydrophobicContact CD2-CE1 4.14Å; Y8-Y98 HydrophobicContact CE1-CE1 4.01Å; Y8-Y98 HydrophobicContact CE2-CD1 4.48Å; Y8-Y98 AromaticContact CE2-CE1 3.54Å; Y8-Y98 HydrophobicContact CE2-CE1 3.54Å; Y8-Y98 AromaticContact CZ-CE1 3.49Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.49Å; Y8-Y98 AromaticContact CZ-CZ 3.95Å; Y8-Y98 PolarHBondContact OH-OH 2.99Å; R96-Y98 HydrophobicContact CG-CD1 4.26Å; Y98-Y112 CarbonylContact C-O 3.6Å; Y98-Y112 WeakPolarHBondContact CA-O 3.27Å; Y98-Y112 VanDerWaalsContact CB-O 3.28Å; Y98-Y112 WeakPolarHBondContact CB-O 3.4Å; Y98-D113 VanDerWaalsContact CB-OD1 3.27Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.4Å; Y98-Y158 AromaticContact CD2-CE1 3.84Å; Y98-Y158 HydrophobicContact CD2-CE1 3.84Å; Y98-Y158 AromaticContact CE2-CE1 3.68Å; Y98-Y158 HydrophobicContact CE2-CE1 3.68Å; Y98-Y158 AromaticContact CE2-CZ 3.93Å
99G98.6Very high96.9Very high0 Ų054.3 Ų54.30%028%0.284CS..EExtended strand (participates in β ladder)trans160.7-175.5-175.600000114.1M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.52Å; M4-G99 WeakPolarHBondContact O-CA 3.3Å; G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.48Å; G99-Y112 PolarHBondContact N-O 2.89Å; G99-Y112 PolarHBondContact O-N 3.4Å; G99-L159 WeakPolarHBondContact O-CD2 3.13Å
100C98.7Very high97.2Very high0 Ų054.9 Ų54.90%027%0.268CS..EExtended strand (participates in β ladder)trans-138.1148.1-176.754.20000111.4S3 M4 L108 R110 C163S3-C100 CarbonylContact C-O 3.55Å; S3-C100 WeakPolarHBondContact CA-O 3.42Å; M4-C100 PolarHBondContact N-O 2.83Å; M4-C100 PolarHBondContact O-N 2.93Å; C100-L108 HydrophobicContact CB-CD1 3.61Å; C100-R110 CarbonylContact C-O 3.54Å; C100-R110 WeakPolarHBondContact CA-O 3.37Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 3.04Å; C100-C163 VanDerWaalsContact N-SG 3.35Å; C100-C163 WeakPolarHBondContact SG-CB 3.34Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.62Å
101D98.5Very high97.4Very high29 Ų2947.4 Ų47.416%0.15524%0.241CC..EExtended strand (participates in β ladder)trans-110.9139172.1-62.9-4.3000109.1H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.52Å; H2-D101 WeakPolarHBondContact O-CA 3.37Å; S3-D101 WeakPolarHBondContact CB-OD1 3.49Å; R5-D101 IonicContact CZ-OD1 3.13Å; R5-D101 IonicContact NE-OD1 2.6Å; R5-D101 PolarHBondContact NE-OD1 2.66Å; R5-D101 VanDerWaalsContact NE-OD1 3.11Å; R5-D101 IonicContact NH2-OD1 3.16Å; R5-D101 PolarHBondContact NH2-OD1 2.8Å; R5-D101 IonicContact NH2-OD2 2.61Å; R5-D101 PolarHBondContact NH2-OD2 2.97Å; D101-L109 HydrophobicContact CB-CB 4.44Å; D101-L109 PolarHBondContact O-N 3.47Å; D101-R110 PolarHBondContact N-O 2.95Å; D101-R110 PolarHBondContact O-N 2.64Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.13Å; D101-Y112 PolarHBondContact OD2-OH 3.08Å
102V98.3Very high97.5Very high2 Ų246.5 Ų46.51%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-124.6144178.9-60.50000112S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.4Å; S1-V102 VanDerWaalsContact CB-O 3.32Å; S1-V102 WeakPolarHBondContact CB-O 3.33Å; H2-V102 HydrophobicContact CB-CG2 4.08Å; H2-V102 PolarHBondContact N-O 3.29Å; H2-V102 PolarHBondContact O-N 2.86Å; V102-R107 CarbonylContact C-O 3.53Å; V102-R107 WeakPolarHBondContact CA-O 3.08Å; V102-R107 WeakPolarHBondContact CB-O 3.22Å; V102-V164 HydrophobicContact CG1-CB 4.4Å; V102-V164 HydrophobicContact CG1-CG1 4.01Å; V102-V164 HydrophobicContact CG1-CG2 3.98Å; V102-L167 HydrophobicContact CB-CD2 4.32Å; V102-L167 HydrophobicContact CG1-CD2 3.92Å; V102-L167 HydrophobicContact CG2-CD2 3.56Å; V102-L167 HydrophobicContact CG2-CG 4.18Å
103G96.4Very high97.5Very high4 Ų446.5 Ų46.54%0.04123%0.229CC..  trans-73.3175.2174.800000112.2D105 G106 R107G103-D105 PolarHBondContact O-N 3.14Å; G103-G106 WeakPolarHBondContact O-CA 3.43Å; G103-G106 PolarHBondContact O-N 2.9Å; G103-R107 PolarHBondContact N-O 2.98Å
104P93.6Very high97.5Very high131 Ų13146.9 Ų46.985%0.85123%0.23SC*.THydrogen-bonded Turntrans-58.6-27.1173.6-23.434.3000113.6G106P104-G106 PolarHBondContact O-N 3.4Å
105D93.8Very high97.5Very high97 Ų9747.7 Ų47.752%0.51923%0.233SC..THydrogen-bonded Turntrans-79.10.8173.669-12.1000113.3G103 R107G103-D105 PolarHBondContact O-N 3.14Å; D105-R107 PolarHBondContact O-N 2.91Å; D105-R107 WeakPolarHBondContact OD1-CB 3.34Å; D105-R107 PolarHBondContact OD1-N 3.03Å; D105-R107 WeakPolarHBondContact OD2-CD 2.98Å; D105-R107 VanDerWaalsContact OD2-CG 3.3Å; D105-R107 WeakPolarHBondContact OD2-CG 3.37Å; D105-R107 IonicContact OD2-NE 3.66Å
106G93.2Very high97.5Very high12 Ų1244.7 Ų44.712%0.12422%0.221CC..SBendtrans73.65.4-178.400000114.3G103 P104 V164 R168G103-G106 WeakPolarHBondContact O-CA 3.43Å; G103-G106 PolarHBondContact O-N 2.9Å; P104-G106 PolarHBondContact O-N 3.4Å; G106-V164 WeakPolarHBondContact O-CG1 3.35Å; G106-R168 VanDerWaalsContact C-NH2 3.32Å; G106-R168 PolarHBondContact O-NE 3.01Å; G106-R168 PolarHBondContact O-NH2 3.35Å
107R96.2Very high97.5Very high174 Ų17443.8 Ų43.866%0.65722%0.218SC*.  trans-79.7151179-64.3-174.4-176.3166-2.5111.2V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.53Å; V102-R107 WeakPolarHBondContact CA-O 3.08Å; V102-R107 WeakPolarHBondContact CB-O 3.22Å; G103-R107 PolarHBondContact N-O 2.98Å; D105-R107 PolarHBondContact O-N 2.91Å; D105-R107 WeakPolarHBondContact OD1-CB 3.34Å; D105-R107 PolarHBondContact OD1-N 3.03Å; D105-R107 WeakPolarHBondContact OD2-CD 2.98Å; D105-R107 VanDerWaalsContact OD2-CG 3.3Å; D105-R107 WeakPolarHBondContact OD2-CG 3.37Å; D105-R107 IonicContact OD2-NE 3.66Å; R107-L109 PolarHBondContact O-N 3.23Å
108L98Very high97.5Very high50 Ų5045.2 Ų45.226%0.26223%0.226SC..EExtended strand (participates in β ladder)trans-58.8125.7175.4-175.472.5000109.9C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.61Å; L108-R110 WeakPolarHBondContact CD1-O 3.22Å; L108-L129 HydrophobicContact CD2-CD1 4.16Å; L108-E160 HydrophobicContact CD2-CB 4.38Å; L108-E160 HydrophobicContact CD2-CG 3.68Å; L108-V164 HydrophobicContact CB-CG2 4.01Å; L108-V164 HydrophobicContact CD1-CG2 3.87Å
109L97.7Very high97.4Very high115 Ų11547.1 Ų47.160%0.60225%0.252SS*.EExtended strand (participates in β ladder)trans-95.6-45.7168.1-65.8178000110.6D101 R107D101-L109 HydrophobicContact CB-CB 4.44Å; D101-L109 PolarHBondContact O-N 3.47Å; R107-L109 PolarHBondContact O-N 3.23Å
110R97.6Very high97.4Very high96 Ų9654.8 Ų54.836%0.36229%0.285SS..EExtended strand (participates in β ladder)trans-154.6142.9-176.7-172.2160.9167.7149.712.5111.7C100 D101 L108 Y112 E127C100-R110 CarbonylContact C-O 3.54Å; C100-R110 WeakPolarHBondContact CA-O 3.37Å; D101-R110 PolarHBondContact N-O 2.95Å; D101-R110 PolarHBondContact O-N 2.64Å; L108-R110 WeakPolarHBondContact CD1-O 3.22Å; R110-Y112 HydrophobicContact CB-CE2 4.01Å; R110-Y112 VanDerWaalsContact CD-CZ 3.47Å; R110-Y112 WeakPolarHBondContact CD-OH 3.4Å; R110-Y112 HydrophobicContact CG-CD2 4.4Å; R110-Y112 HydrophobicContact CG-CE1 4.08Å; R110-Y112 HydrophobicContact CG-CE2 3.71Å; R110-Y112 PolarHBondContact NE-OH 2.6Å; R110-E127 VanDerWaalsContact CZ-CD 3.47Å; R110-E127 IonicContact CZ-OE1 3.28Å; R110-E127 VanDerWaalsContact NH1-CD 3.27Å; R110-E127 IonicContact NH1-OE1 3.63Å; R110-E127 PolarHBondContact NH1-OE1 2.63Å; R110-E127 IonicContact NH1-OE2 3.96Å; R110-E127 VanDerWaalsContact NH2-CG 3.32Å; R110-E127 IonicContact NH2-OE1 3.4Å; R110-E127 PolarHBondContact NH2-OE1 3.35Å
111G98.3Very high97.4Very high4 Ų460.6 Ų60.64%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-112.1152.6170.300000111G99G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.48Å
112Y98.4Very high97.4Very high39 Ų3959.7 Ų59.715%0.15331%0.311CS..EExtended strand (participates in β ladder)trans-134.4139.2-178.4-56.6-94.1000110.1R5 M97 Y98 G99 D101 R110R5-Y112 PolarHBondContact NH2-OH 2.83Å; M97-Y112 HydrophobicContact CE-CD1 4.13Å; M97-Y112 HydrophobicContact CE-CG 4.21Å; Y98-Y112 CarbonylContact C-O 3.6Å; Y98-Y112 WeakPolarHBondContact CA-O 3.27Å; Y98-Y112 VanDerWaalsContact CB-O 3.28Å; Y98-Y112 WeakPolarHBondContact CB-O 3.4Å; G99-Y112 PolarHBondContact N-O 2.89Å; G99-Y112 PolarHBondContact O-N 3.4Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.13Å; D101-Y112 PolarHBondContact OD2-OH 3.08Å; R110-Y112 HydrophobicContact CB-CE2 4.01Å; R110-Y112 VanDerWaalsContact CD-CZ 3.47Å; R110-Y112 WeakPolarHBondContact CD-OH 3.4Å; R110-Y112 HydrophobicContact CG-CD2 4.4Å; R110-Y112 HydrophobicContact CG-CE1 4.08Å; R110-Y112 HydrophobicContact CG-CE2 3.71Å; R110-Y112 PolarHBondContact NE-OH 2.6Å
113D98.6Very high97.5Very high2 Ų259.8 Ų59.81%0.01131%0.311CS..EExtended strand (participates in β ladder)trans-153.2110.4160.7-173.476.1000107.7R96 M97 Y98 Y115 L125 L155R96-D113 IonicContact CZ-OD1 3.79Å; R96-D113 IonicContact NE-OD1 3.06Å; R96-D113 PolarHBondContact NE-OD1 3.49Å; R96-D113 IonicContact NH2-OD1 2.66Å; R96-D113 PolarHBondContact NH2-OD1 3.44Å; M97-D113 WeakPolarHBondContact O-CA 3.38Å; Y98-D113 VanDerWaalsContact CB-OD1 3.27Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.4Å; D113-Y115 WeakPolarHBondContact OD2-CE2 3.39Å; D113-L125 HydrophobicContact CB-CB 4.07Å; D113-L125 HydrophobicContact CB-CD2 4.22Å; D113-L125 WeakPolarHBondContact O-CB 3.41Å; D113-L125 PolarHBondContact O-N 2.84Å; D113-L155 HydrophobicContact CB-CD1 4.23Å
114Q98.6Very high97.6Very high71 Ų7161.1 Ų61.133%0.33232%0.322SS..EExtended strand (participates in β ladder)trans-142.2144.8-17561.9-172.471.600111.4R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.55Å; R96-Q114 WeakPolarHBondContact CA-O 3.37Å; M97-Q114 HydrophobicContact CB-CG 4.09Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.89Å; M97-Q114 PolarHBondContact N-O 2.96Å; M97-Q114 PolarHBondContact O-N 2.83Å; Q114-I123 WeakPolarHBondContact CA-O 3.31Å; Q114-A124 HydrophobicContact CB-CB 3.88Å
115Y98.8Very high97.8Very high23 Ų2355.6 Ų55.69%0.0929%0.285CS..EExtended strand (participates in β ladder)trans-122.4142.7-179.2-70.9-103.4000110.9I94 Q95 R96 D113 Y122 I123 W146I94-Y115 HydrophobicContact CD1-CD1 3.98Å; I94-Y115 HydrophobicContact CD1-CE1 4.43Å; I94-Y115 HydrophobicContact CG1-CD1 4.25Å; Q95-Y115 CarbonylContact O-C 3.57Å; Q95-Y115 VanDerWaalsContact O-CA 3.23Å; Q95-Y115 WeakPolarHBondContact O-CA 3.25Å; R96-Y115 HydrophobicContact CB-CD1 3.84Å; R96-Y115 HydrophobicContact CB-CE1 3.7Å; R96-Y115 HydrophobicContact CB-CG 4.41Å; R96-Y115 VanDerWaalsContact CD-OH 3.25Å; R96-Y115 WeakPolarHBondContact CD-OH 3.21Å; R96-Y115 HydrophobicContact CG-CD1 4.05Å; R96-Y115 HydrophobicContact CG-CD2 4.18Å; R96-Y115 HydrophobicContact CG-CE1 3.67Å; R96-Y115 HydrophobicContact CG-CE2 3.78Å; R96-Y115 HydrophobicContact CG-CG 4.31Å; R96-Y115 VanDerWaalsContact CZ-OH 3.25Å; R96-Y115 PolarHBondContact NE-OH 3.2Å; R96-Y115 VanDerWaalsContact NE-OH 3.12Å; R96-Y115 PolarHBondContact NH1-OH 3.21Å; D113-Y115 WeakPolarHBondContact OD2-CE2 3.39Å; Y115-Y122 WeakPolarHBondContact O-CB 3.23Å; Y115-Y122 PolarHBondContact O-N 2.97Å; Y115-I123 HydrophobicContact CD2-CG2 4.27Å; Y115-I123 PolarHBondContact N-O 3.18Å; Y115-I123 PolarHBondContact O-N 2.78Å; Y115-W146 AromaticContact CD2-CH2 3.8Å; Y115-W146 HydrophobicContact CD2-CH2 3.8Å; Y115-W146 HydrophobicContact CD2-CZ3 4.33Å; Y115-W146 AromaticContact CE2-CH2 3.48Å; Y115-W146 HydrophobicContact CE2-CH2 3.48Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.48Å; Y115-W146 HydrophobicContact CE2-CZ2 4.44Å; Y115-W146 HydrophobicContact CE2-CZ3 4.18Å; Y115-W146 AromaticContact CZ-CH2 4Å
116A98.8Very high98Very high16 Ų1653 Ų5313%0.13227%0.271CS..EExtended strand (participates in β ladder)trans-123147.217000000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.43Å; Q95-A116 HydrophobicContact CB-CB 4.4Å; Q95-A116 PolarHBondContact N-O 3.05Å; Q95-A116 PolarHBondContact O-N 2.86Å; A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.21Å; A116-K120 VanDerWaalsContact CB-O 3.27Å; A116-K120 WeakPolarHBondContact CB-O 3.46Å
117Y98.7Very high98.3Very high11 Ų1158.9 Ų58.94%0.04330%0.296CS..EExtended strand (participates in β ladder)trans-126.7127176.2-175.5-121000110.2L77 L80 Y84 Q86 H92 I93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.13Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 3.99Å; L80-Y117 HydrophobicContact CB-CE2 3.82Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD2 3.57Å; L80-Y117 HydrophobicContact CD1-CE2 3.9Å; L80-Y117 HydrophobicContact CD1-CG 4.01Å; L80-Y117 HydrophobicContact CG-CD2 4.4Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; Y84-Y117 AromaticContact CD2-CD1 3.74Å; Y84-Y117 HydrophobicContact CD2-CD1 3.74Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; 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 3.78Å; Y84-Y117 HydrophobicContact CE2-CE1 3.78Å; Y84-Y117 HydrophobicContact CG-CE1 4.41Å; Q86-Y117 PolarHBondContact OE1-OH 2.98Å; H92-Y117 HydrophobicContact CB-CE2 3.85Å; H92-Y117 WeakPolarHBondContact CB-OH 3.37Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 AromaticContact ND1-CZ 3.89Å; H92-Y117 PolarHBondContact ND1-OH 3.43Å; I93-Y117 WeakPolarHBondContact O-CA 3.49Å; I93-Y117 WeakPolarHBondContact O-CD2 3.5Å; I94-Y117 HydrophobicContact CB-CD2 4.46Å; Y117-G119 PolarHBondContact O-N 3.15Å; Y117-K120 PolarHBondContact N-O 3.44Å; Y117-K120 PolarHBondContact O-N 3.05Å; Y117-K120 VanDerWaalsContact O-N 3.08Å
118D98.1Very high98.3Very high54 Ų5454.4 Ų54.429%0.28929%0.285SS..THydrogen-bonded Turntrans49.139.3-174.4-68.9-18.2000113.4H92 I93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.41Å; H92-D118 WeakPolarHBondContact CB-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 2.78Å; H92-D118 IonicContact CG-OD1 3.28Å; H92-D118 IonicContact CG-OD2 3.32Å; H92-D118 IonicContact ND1-OD1 2.76Å; H92-D118 PolarHBondContact ND1-OD1 2.91Å; H92-D118 IonicContact ND1-OD2 2.9Å; H92-D118 PolarHBondContact ND1-OD2 3.1Å; I93-D118 PolarHBondContact N-OD1 3.47Å; I93-D118 PolarHBondContact O-N 3.29Å; D118-K120 VanDerWaalsContact C-N 3.34Å; D118-K120 PolarHBondContact O-N 2.8Å
119G97.1Very high98.3Very high60 Ų6052.4 Ų52.462%0.61927%0.274SS*.THydrogen-bonded Turntrans798.6177.600000115.4Y117Y117-G119 PolarHBondContact O-N 3.15Å
120K98.5Very high98.3Very high160 Ų16055 Ų5570%0.69628%0.276SS*.EExtended strand (participates in β ladder)trans-116.1145.8176.2-63.5-179.4-179.7-177.90110.8A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.21Å; A116-K120 VanDerWaalsContact CB-O 3.27Å; A116-K120 WeakPolarHBondContact CB-O 3.46Å; Y117-K120 PolarHBondContact N-O 3.44Å; Y117-K120 PolarHBondContact O-N 3.05Å; Y117-K120 VanDerWaalsContact O-N 3.08Å; D118-K120 VanDerWaalsContact C-N 3.34Å; D118-K120 PolarHBondContact O-N 2.8Å; K120-Y122 PolarHBondContact O-N 3.32Å
121D98.7Very high98.3Very high123 Ų12352.3 Ų52.366%0.65827%0.272SS*.EExtended strand (participates in β ladder)trans-53.8135.6173.6-66.6-33.5000110.7A135D121-A135 HydrophobicContact CB-CB 4.46Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å
122Y98.8Very high98.4Very high9 Ų952.6 Ų52.64%0.03527%0.272CS..EExtended strand (participates in β ladder)trans-114.1-63.1-179.9179-107.8000110.5L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.41Å; L80-Y122 HydrophobicContact CD2-CD2 4Å; L80-Y122 HydrophobicContact CD2-CE1 3.84Å; L80-Y122 HydrophobicContact CD2-CE2 3.34Å; L80-Y122 HydrophobicContact CD2-CG 4.49Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.36Å; Y84-Y122 HydrophobicContact CE2-CD2 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.12Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.45Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.46Å; Y115-Y122 WeakPolarHBondContact O-CB 3.23Å; Y115-Y122 PolarHBondContact O-N 2.97Å; K120-Y122 PolarHBondContact O-N 3.32Å; Y122-A135 WeakPolarHBondContact O-CB 3.26Å; Y122-A135 PolarHBondContact O-N 2.88Å; Y122-A138 HydrophobicContact CE2-CB 4.46Å; Y122-A138 PolarHBondContact OH-O 3.48Å; Y122-A139 HydrophobicContact CD2-CB 3.86Å; Y122-A139 HydrophobicContact CE1-CB 4.42Å; Y122-A139 HydrophobicContact CE2-CB 3.7Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 WeakPolarHBondContact O-CB 3.41Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 2.95Å
123I98.8Very high98.4Very high4 Ų454.6 Ų54.62%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-149.7141.7178.2-162172.6000110.3Q114 Y115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.31Å; Y115-I123 HydrophobicContact CD2-CG2 4.27Å; Y115-I123 PolarHBondContact N-O 3.18Å; Y115-I123 PolarHBondContact O-N 2.78Å; I123-W132 HydrophobicContact CD1-CB 4.24Å; I123-W132 HydrophobicContact CD1-CD2 4.42Å; I123-W132 HydrophobicContact CD1-CE3 4.21Å; I123-W132 HydrophobicContact CD1-CG 4.46Å; I123-W132 HydrophobicContact CG1-CB 4.34Å; I123-W132 HydrophobicContact CG1-CE3 4.08Å; I123-T133 WeakPolarHBondContact CA-O 3.47Å; I123-T133 WeakPolarHBondContact CG1-O 3.5Å; I123-T142 HydrophobicContact CD1-CG2 4.1Å; I123-Q143 HydrophobicContact CD1-CB 3.89Å; I123-W146 HydrophobicContact CD1-CE3 4.12Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CE3 4.49Å; I123-W146 HydrophobicContact CG2-CH2 4.03Å; I123-W146 HydrophobicContact CG2-CZ3 3.69Å
124A98.8Very high98.4Very high32 Ų3255.6 Ų55.626%0.26430%0.297SS..EExtended strand (participates in β ladder)trans-134.7139.7178.700000111.6Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.88Å; A124-W132 WeakPolarHBondContact O-CA 3.25Å; A124-T133 PolarHBondContact N-O 2.87Å; A124-T133 PolarHBondContact O-N 2.83Å
125L98.8Very high98.4Very high15 Ų1555.1 Ų55.18%0.07931%0.305CS..EExtended strand (participates in β ladder)trans-70.8128.3168.6-175.267.3000108.7D113 L129 W132 A152 L155 L159D113-L125 HydrophobicContact CB-CB 4.07Å; D113-L125 HydrophobicContact CB-CD2 4.22Å; D113-L125 WeakPolarHBondContact O-CB 3.41Å; D113-L125 PolarHBondContact O-N 2.84Å; L125-L129 HydrophobicContact CD2-CB 4.47Å; L125-L129 HydrophobicContact CD2-CD2 3.75Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; L125-W132 HydrophobicContact CB-CE3 4.06Å; L125-W132 HydrophobicContact CB-CH2 4.22Å; L125-W132 HydrophobicContact CB-CZ3 3.72Å; L125-W132 HydrophobicContact CD1-CD2 4.22Å; L125-W132 HydrophobicContact CD1-CE3 4.28Å; L125-W132 HydrophobicContact CD1-CH2 4.1Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.21Å; L125-A152 HydrophobicContact CD1-CB 3.97Å; L125-L155 HydrophobicContact CD2-CB 4.26Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å
126N98.6Very high98.4Very high43 Ų4356.6 Ų56.623%0.2331%0.314CS..  trans-72.5163.4-179.8-68-27000111.4D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.47Å; N126-D128 VanDerWaalsContact O-N 3.07Å; N126-L129 PolarHBondContact O-N 2.83Å; N126-S131 WeakPolarHBondContact CB-O 3.32Å; N126-S131 WeakPolarHBondContact CB-OG 3.46Å; N126-S131 PolarHBondContact N-O 2.87Å; N126-S131 PolarHBondContact ND2-OG 3.38Å; N126-T133 PolarHBondContact ND2-OG1 2.86Å; N126-T133 WeakPolarHBondContact OD1-CB 3.38Å; N126-T133 PolarHBondContact OD1-OG1 3.35Å
127E97.6Very high98.3Very high136 Ų13661.1 Ų61.164%0.63634%0.341SS*.THydrogen-bonded Turntrans-59.7-22.1-179-64.9-178.5-168.800113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.47Å; R110-E127 IonicContact CZ-OE1 3.28Å; R110-E127 VanDerWaalsContact NH1-CD 3.27Å; R110-E127 IonicContact NH1-OE1 3.63Å; R110-E127 PolarHBondContact NH1-OE1 2.63Å; R110-E127 IonicContact NH1-OE2 3.96Å; R110-E127 VanDerWaalsContact NH2-CG 3.32Å; R110-E127 IonicContact NH2-OE1 3.4Å; R110-E127 PolarHBondContact NH2-OE1 3.35Å; E127-L129 PolarHBondContact O-N 2.93Å
128D97.6Very high98.3Very high79 Ų7960.8 Ų60.842%0.42234%0.34SS..THydrogen-bonded Turntrans-71.7-8.3174.4704000114N126 R130 S131N126-D128 PolarHBondContact O-N 3.47Å; N126-D128 VanDerWaalsContact O-N 3.07Å; D128-R130 WeakPolarHBondContact O-CG 3.12Å; D128-R130 PolarHBondContact O-N 2.66Å; D128-R130 PolarHBondContact OD1-N 2.89Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 3.21Å; D128-S131 PolarHBondContact OD1-OG 3.11Å; D128-S131 VanDerWaalsContact OD1-OG 3.11Å; D128-S131 WeakPolarHBondContact OD2-CB 3.17Å; D128-S131 PolarHBondContact OD2-OG 3.48Å
129L98.1Very high98.3Very high8 Ų858.2 Ų58.24%0.04233%0.326CS..SBendtrans53.728.3-175.3-52.9-179000113.6L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.16Å; L125-L129 HydrophobicContact CD2-CB 4.47Å; L125-L129 HydrophobicContact CD2-CD2 3.75Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; N126-L129 PolarHBondContact O-N 2.83Å; E127-L129 PolarHBondContact O-N 2.93Å; L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 3.85Å; L129-R156 HydrophobicContact CD1-CG 4.2Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L129-E160 HydrophobicContact CD1-CG 4.17Å
130R97.8Very high98.4Very high169 Ų16958.9 Ų58.964%0.63831%0.313SS*.SBendtrans-135.1-32.3-174.4-71.1170.7-175.9-116.512.2112.8D128 R156D128-R130 WeakPolarHBondContact O-CG 3.12Å; D128-R130 PolarHBondContact O-N 2.66Å; D128-R130 PolarHBondContact OD1-N 2.89Å; R130-R156 VanDerWaalsContact CZ-NH1 3.29Å
131S98.1Very high98.4Very high40 Ų4054 Ų5428%0.2829%0.294SS..  trans-115164.2-177.463.70000111.8N126 D128N126-S131 WeakPolarHBondContact CB-O 3.32Å; N126-S131 WeakPolarHBondContact CB-OG 3.46Å; N126-S131 PolarHBondContact N-O 2.87Å; N126-S131 PolarHBondContact ND2-OG 3.38Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 3.21Å; D128-S131 PolarHBondContact OD1-OG 3.11Å; D128-S131 VanDerWaalsContact OD1-OG 3.11Å; D128-S131 WeakPolarHBondContact OD2-CB 3.17Å; D128-S131 PolarHBondContact OD2-OG 3.48Å
132W98.7Very high98.4Very high11 Ų1149 Ų494%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-120.8145.1-176.4-61.294.2000110.8I123 A124 L125 Q143 W146 E151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.24Å; I123-W132 HydrophobicContact CD1-CD2 4.42Å; I123-W132 HydrophobicContact CD1-CE3 4.21Å; I123-W132 HydrophobicContact CD1-CG 4.46Å; I123-W132 HydrophobicContact CG1-CB 4.34Å; I123-W132 HydrophobicContact CG1-CE3 4.08Å; A124-W132 WeakPolarHBondContact O-CA 3.25Å; L125-W132 HydrophobicContact CB-CE3 4.06Å; L125-W132 HydrophobicContact CB-CH2 4.22Å; L125-W132 HydrophobicContact CB-CZ3 3.72Å; L125-W132 HydrophobicContact CD1-CD2 4.22Å; L125-W132 HydrophobicContact CD1-CE3 4.28Å; L125-W132 HydrophobicContact CD1-CH2 4.1Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.21Å; W132-Q143 HydrophobicContact CB-CG 4.11Å; W132-Q143 PolarHBondContact O-NE2 3.04Å; W132-W146 HydrophobicContact CD2-CE3 4.03Å; W132-W146 AromaticContact CE2-CE3 3.85Å; W132-W146 AromaticContact CE3-CE3 3.87Å; W132-W146 HydrophobicContact CE3-CE3 3.87Å; W132-W146 AromaticContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CH2-CD2 4.44Å; W132-W146 AromaticContact CH2-CE3 3.31Å; W132-W146 HydrophobicContact CH2-CE3 3.31Å; W132-W146 AromaticContact CH2-CZ3 3.38Å; W132-W146 HydrophobicContact CH2-CZ3 3.38Å; W132-W146 HydrophobicContact CZ2-CD2 4.37Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CZ3 4.09Å; W132-W146 AromaticContact CZ3-CE3 3.54Å; W132-W146 HydrophobicContact CZ3-CE3 3.54Å; W132-W146 AromaticContact CZ3-CZ3 3.34Å; W132-W146 HydrophobicContact CZ3-CZ3 3.34Å; W132-E151 HydrophobicContact CZ2-CB 4.26Å; W132-A152 HydrophobicContact CZ2-CB 4.24Å; W132-L155 HydrophobicContact CH2-CD1 3.37Å; W132-L155 HydrophobicContact CZ2-CD1 3.82Å; W132-L155 HydrophobicContact CZ3-CD1 4.48Å
133T98.7Very high98.4Very high81 Ų8150.4 Ų50.450%0.49728%0.275SS..EExtended strand (participates in β ladder)trans-107.2116.3165.7-66.80000108.9I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.47Å; I123-T133 WeakPolarHBondContact CG1-O 3.5Å; A124-T133 PolarHBondContact N-O 2.87Å; A124-T133 PolarHBondContact O-N 2.83Å; N126-T133 PolarHBondContact ND2-OG1 2.86Å; N126-T133 WeakPolarHBondContact OD1-CB 3.38Å; N126-T133 PolarHBondContact OD1-OG1 3.35Å
134A98.7Very high98.4Very high23 Ų2357.5 Ų57.519%0.1930%0.301CS..EExtended strand (participates in β ladder)trans-95.4131.1175.100000110.4A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.72Å; A134-Q140 HydrophobicContact CB-CG 3.98Å; A134-Q143 HydrophobicContact CB-CB 4.41Å
135A98.5Very high98.3Very high61 Ų6161.2 Ų61.250%0.50431%0.312SS..SBendtrans-74.2-30.9-176.400000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.46Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 WeakPolarHBondContact O-CB 3.26Å; Y122-A135 PolarHBondContact O-N 2.88Å
136D98.3Very high98.3Very high53 Ų5363.1 Ų63.128%0.28332%0.318SS..SBendtrans-151.2-175.3-178.567.528.2000113.2Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.4Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.24Å; Y84-D136 PolarHBondContact OH-OD1 3.49Å; Y84-D136 PolarHBondContact OH-OD2 3.07Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 3.3Å; D136-A138 WeakPolarHBondContact OD1-CA 3.23Å; D136-A138 WeakPolarHBondContact OD1-CB 3.42Å; D136-A138 PolarHBondContact OD1-N 2.9Å; D136-A139 PolarHBondContact O-N 2.87Å; D136-A139 PolarHBondContact OD1-N 3.11Å; D136-Q140 WeakPolarHBondContact O-CG 3.32Å; D136-Q140 PolarHBondContact O-N 2.83Å
137T98.2Very high98.3Very high112 Ų11265.5 Ų65.569%0.68733%0.327SS*.Hα-helixtrans-66.2-28.1-178.757.20000113.9
138A98.1Very high98.4Very high4 Ų463.2 Ų63.23%0.03333%0.332CS..Hα-helixtrans-72.6-43.2174.400000110.1Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.19Å; Y84-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CE1-CB 3.64Å; Y84-A138 HydrophobicContact CE2-CB 3.89Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.46Å; Y122-A138 PolarHBondContact OH-O 3.48Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 3.3Å; D136-A138 WeakPolarHBondContact OD1-CA 3.23Å; D136-A138 WeakPolarHBondContact OD1-CB 3.42Å; D136-A138 PolarHBondContact OD1-N 2.9Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 2.85Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.34Å; A138-I141 PolarHBondContact O-N 3.39Å
139A98.5Very high98.4Very high0 Ų061.9 Ų61.90%033%0.332CS..Hα-helixtrans-60.5-34.5174.200000113.1Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.86Å; Y122-A139 HydrophobicContact CE1-CB 4.42Å; Y122-A139 HydrophobicContact CE2-CB 3.7Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 WeakPolarHBondContact O-CB 3.41Å; A134-A139 HydrophobicContact CB-CB 3.72Å; D136-A139 PolarHBondContact O-N 2.87Å; D136-A139 PolarHBondContact OD1-N 3.11Å; A139-I141 PolarHBondContact O-N 3.04Å; A139-T142 WeakPolarHBondContact O-CB 3.23Å; A139-T142 PolarHBondContact O-N 3.47Å; A139-Q143 PolarHBondContact O-N 2.76Å
140Q98.7Very high98.4Very high74 Ų7468.7 Ų68.735%0.34636%0.357SS..Hα-helixtrans-60.1-27.6173.3-72.5174.39.200113A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 3.98Å; D136-Q140 WeakPolarHBondContact O-CG 3.32Å; D136-Q140 PolarHBondContact O-N 2.83Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 2.85Å; Q140-R144 VanDerWaalsContact O-CG 3.31Å; Q140-R144 WeakPolarHBondContact O-CG 3.46Å; Q140-R144 PolarHBondContact O-N 2.83Å; Q140-R144 VanDerWaalsContact O-N 3.11Å
141I98.4Very high98.4Very high58 Ų5863.6 Ų63.630%0.29734%0.34SS..Hα-helixtrans-66.9-44.7174-56.6171000109.8Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.09Å; Y83-I141 HydrophobicContact CD2-CD1 4.49Å; Y83-I141 HydrophobicContact CE1-CD1 4.39Å; Y83-I141 HydrophobicContact CE1-CG2 4.09Å; Y83-I141 HydrophobicContact CE2-CB 4.28Å; Y83-I141 HydrophobicContact CE2-CG2 4.15Å; Y83-I141 HydrophobicContact CG-CD1 4.16Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.34Å; A138-I141 PolarHBondContact O-N 3.39Å; A139-I141 PolarHBondContact O-N 3.04Å; I141-K145 WeakPolarHBondContact O-CG 3.31Å; I141-K145 PolarHBondContact O-N 3.34Å
142T98.4Very high98.4Very high16 Ų1662.1 Ų62.110%0.09833%0.33CS..Hα-helixtrans-64.2-45.5174.6-69.20000111.2Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 2.95Å; I123-T142 HydrophobicContact CD1-CG2 4.1Å; A139-T142 WeakPolarHBondContact O-CB 3.23Å; A139-T142 PolarHBondContact O-N 3.47Å; T142-R144 PolarHBondContact O-N 3.22Å; T142-K145 WeakPolarHBondContact O-CB 3.42Å; T142-K145 PolarHBondContact O-N 3.32Å; T142-K145 VanDerWaalsContact O-N 3.09Å; T142-W146 HydrophobicContact CG2-CD2 3.63Å; T142-W146 VanDerWaalsContact CG2-CE2 3.48Å; T142-W146 HydrophobicContact CG2-CE3 4.05Å; T142-W146 HydrophobicContact CG2-CG 4.07Å; T142-W146 HydrophobicContact CG2-CH2 4.19Å; T142-W146 HydrophobicContact CG2-CZ2 3.79Å; T142-W146 HydrophobicContact CG2-CZ3 4.31Å; T142-W146 PolarHBondContact O-N 2.85Å
143Q98.7Very high98.3Very high39 Ų3966.3 Ų66.318%0.18235%0.351CS..Hα-helixtrans-51.5-53.6177.7177174.712.400111.7I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.89Å; W132-Q143 HydrophobicContact CB-CG 4.11Å; W132-Q143 PolarHBondContact O-NE2 3.04Å; A134-Q143 HydrophobicContact CB-CB 4.41Å; A139-Q143 PolarHBondContact O-N 2.76Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 2.85Å; Q143-W146 PolarHBondContact O-N 3.43Å; Q143-W146 VanDerWaalsContact O-N 3.15Å; Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.23Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.26Å; Q143-E147 PolarHBondContact NE2-OE1 2.89Å; Q143-E147 WeakPolarHBondContact O-CB 3.5Å; Q143-E147 WeakPolarHBondContact O-CG 3.18Å; Q143-E147 PolarHBondContact O-N 3.11Å
144R98.7Very high98.2Very high153 Ų15368.6 Ų68.658%0.57736%0.356SS*.Hα-helixtrans-59.3-38.2179.8-68.5170.4-165.7146.78.6112.6Q140 T142 A148Q140-R144 VanDerWaalsContact O-CG 3.31Å; Q140-R144 WeakPolarHBondContact O-CG 3.46Å; Q140-R144 PolarHBondContact O-N 2.83Å; Q140-R144 VanDerWaalsContact O-N 3.11Å; T142-R144 PolarHBondContact O-N 3.22Å; R144-A148 VanDerWaalsContact O-CB 3.3Å; R144-A148 WeakPolarHBondContact O-CB 3.4Å; R144-A148 PolarHBondContact O-N 3Å
145K98.3Very high98.2Very high111 Ų11168.8 Ų68.848%0.48335%0.353SS..Hα-helixtrans-66.2-44.8177.1-72.8177176.8-1750111.4Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.31Å; I141-K145 WeakPolarHBondContact O-CG 3.31Å; I141-K145 PolarHBondContact O-N 3.34Å; T142-K145 WeakPolarHBondContact O-CB 3.42Å; T142-K145 PolarHBondContact O-N 3.32Å; T142-K145 VanDerWaalsContact O-N 3.09Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 2.85Å; K145-A148 PolarHBondContact O-N 2.89Å; K145-A149 WeakPolarHBondContact O-CB 3.37Å; K145-A149 PolarHBondContact O-N 2.91Å
146W98.3Very high98.2Very high55 Ų5569.2 Ų69.221%0.20834%0.342CS..Hα-helixtrans-71.6-36-178.8-73.52.3000112.9Y115 I123 W132 T142 Q143 A149 R150 E151Y115-W146 AromaticContact CD2-CH2 3.8Å; Y115-W146 HydrophobicContact CD2-CH2 3.8Å; Y115-W146 HydrophobicContact CD2-CZ3 4.33Å; Y115-W146 AromaticContact CE2-CH2 3.48Å; Y115-W146 HydrophobicContact CE2-CH2 3.48Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.48Å; Y115-W146 HydrophobicContact CE2-CZ2 4.44Å; Y115-W146 HydrophobicContact CE2-CZ3 4.18Å; Y115-W146 AromaticContact CZ-CH2 4Å; I123-W146 HydrophobicContact CD1-CE3 4.12Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CE3 4.49Å; I123-W146 HydrophobicContact CG2-CH2 4.03Å; I123-W146 HydrophobicContact CG2-CZ3 3.69Å; W132-W146 HydrophobicContact CD2-CE3 4.03Å; W132-W146 AromaticContact CE2-CE3 3.85Å; W132-W146 AromaticContact CE3-CE3 3.87Å; W132-W146 HydrophobicContact CE3-CE3 3.87Å; W132-W146 AromaticContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CH2-CD2 4.44Å; W132-W146 AromaticContact CH2-CE3 3.31Å; W132-W146 HydrophobicContact CH2-CE3 3.31Å; W132-W146 AromaticContact CH2-CZ3 3.38Å; W132-W146 HydrophobicContact CH2-CZ3 3.38Å; W132-W146 HydrophobicContact CZ2-CD2 4.37Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CZ3 4.09Å; W132-W146 AromaticContact CZ3-CE3 3.54Å; W132-W146 HydrophobicContact CZ3-CE3 3.54Å; W132-W146 AromaticContact CZ3-CZ3 3.34Å; W132-W146 HydrophobicContact CZ3-CZ3 3.34Å; T142-W146 HydrophobicContact CG2-CD2 3.63Å; T142-W146 VanDerWaalsContact CG2-CE2 3.48Å; T142-W146 HydrophobicContact CG2-CE3 4.05Å; T142-W146 HydrophobicContact CG2-CG 4.07Å; T142-W146 HydrophobicContact CG2-CH2 4.19Å; T142-W146 HydrophobicContact CG2-CZ2 3.79Å; T142-W146 HydrophobicContact CG2-CZ3 4.31Å; T142-W146 PolarHBondContact O-N 2.85Å; Q143-W146 PolarHBondContact O-N 3.43Å; Q143-W146 VanDerWaalsContact O-N 3.15Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 3.27Å; W146-R150 PolarHBondContact O-N 3.01Å; W146-E151 HydrophobicContact CB-CB 4.01Å; W146-E151 HydrophobicContact CB-CG 3.87Å; W146-E151 HydrophobicContact CG-CB 4.23Å; W146-E151 HydrophobicContact CG-CG 3.84Å; W146-E151 PolarHBondContact O-N 3.2Å
147E98.5Very high98.2Very high92 Ų9269.8 Ų69.843%0.4335%0.354SS..Hα-helixtrans-63.4-46.8171.3-73.3170.4173.600111Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.23Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.26Å; Q143-E147 PolarHBondContact NE2-OE1 2.89Å; Q143-E147 WeakPolarHBondContact O-CB 3.5Å; Q143-E147 WeakPolarHBondContact O-CG 3.18Å; Q143-E147 PolarHBondContact O-N 3.11Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 2.74Å; E147-R150 PolarHBondContact O-N 2.88Å; E147-R150 VanDerWaalsContact O-N 3.08Å
148A98.4Very high98.1Very high88 Ų8866.7 Ų66.773%0.72733%0.33SS*.Hα-helixtrans-62.3-34.7176.500000112.8R144 K145 R150R144-A148 VanDerWaalsContact O-CB 3.3Å; R144-A148 WeakPolarHBondContact O-CB 3.4Å; R144-A148 PolarHBondContact O-N 3Å; K145-A148 PolarHBondContact O-N 2.89Å; A148-R150 VanDerWaalsContact C-N 3.34Å
149A98Very high98.2Very high51 Ų5166.5 Ų66.542%0.42133%0.329SS..THydrogen-bonded Turntrans-85.3-3.3176.400000114K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.37Å; K145-A149 PolarHBondContact O-N 2.91Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 3.27Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 2.74Å; A149-E151 HydrophobicContact CB-CG 4.01Å; A149-E151 PolarHBondContact O-N 3.07Å
150R97.8Very high98.1Very high152 Ų15270.8 Ų70.857%0.57435%0.348SS*.THydrogen-bonded Turntrans54.437.4-177-56.5174.772.2-171.51.8113.3W146 E147 A148 A152 E153W146-R150 PolarHBondContact O-N 3.01Å; E147-R150 PolarHBondContact O-N 2.88Å; E147-R150 VanDerWaalsContact O-N 3.08Å; A148-R150 VanDerWaalsContact C-N 3.34Å; R150-A152 PolarHBondContact O-N 2.82Å; R150-E153 HydrophobicContact CB-CG 4.42Å; R150-E153 VanDerWaalsContact CZ-CD 3.46Å; R150-E153 IonicContact CZ-OE1 2.69Å; R150-E153 IonicContact CZ-OE2 2.72Å; R150-E153 IonicContact NE-OE1 2.72Å; R150-E153 PolarHBondContact NE-OE1 2.98Å; R150-E153 IonicContact NE-OE2 3.97Å; R150-E153 PolarHBondContact NE-OE2 3.07Å; R150-E153 VanDerWaalsContact NE-OE2 3.13Å; R150-E153 IonicContact NH1-OE2 3.9Å; R150-E153 IonicContact NH2-OE1 3.57Å; R150-E153 PolarHBondContact NH2-OE1 2.87Å; R150-E153 IonicContact NH2-OE2 3.23Å; R150-E153 PolarHBondContact NH2-OE2 3.18Å; R150-E153 WeakPolarHBondContact O-CB 3.4Å; R150-E153 PolarHBondContact O-N 2.87Å; R150-E153 VanDerWaalsContact O-N 3.09Å
151E97.6Very high98.1Very high62 Ų6268.3 Ų68.329%0.2934%0.343SS..Hα-helixtrans-58.4-35.6-177.2-67.6-70.2177.500112.7W132 W146 A149 E153 Q154 L155W132-E151 HydrophobicContact CZ2-CB 4.26Å; W146-E151 HydrophobicContact CB-CB 4.01Å; W146-E151 HydrophobicContact CB-CG 3.87Å; W146-E151 HydrophobicContact CG-CB 4.23Å; W146-E151 HydrophobicContact CG-CG 3.84Å; W146-E151 PolarHBondContact O-N 3.2Å; A149-E151 HydrophobicContact CB-CG 4.01Å; A149-E151 PolarHBondContact O-N 3.07Å; E151-E153 PolarHBondContact O-N 2.95Å; E151-Q154 PolarHBondContact O-N 3.26Å; E151-Q154 VanDerWaalsContact O-N 3.13Å; E151-L155 PolarHBondContact O-N 3.15Å; E151-L155 VanDerWaalsContact O-N 3.08Å
152A98.3Very high98.1Very high8 Ų869.6 Ų69.67%0.06635%0.35CS..Hα-helixtrans-57.9-32.1178.500000112.5L125 W132 R150 R156L125-A152 HydrophobicContact CD1-CB 3.97Å; W132-A152 HydrophobicContact CZ2-CB 4.24Å; R150-A152 PolarHBondContact O-N 2.82Å; A152-R156 WeakPolarHBondContact O-CB 3.36Å; A152-R156 PolarHBondContact O-N 3.27Å
153E97.9Very high98.1Very high100 Ų10068.8 Ų68.847%0.46735%0.345SS..Hα-helixtrans-70.4-38.1179.3-63.9178.9-169.900112.3R150 E151 A157R150-E153 HydrophobicContact CB-CG 4.42Å; R150-E153 VanDerWaalsContact CZ-CD 3.46Å; R150-E153 IonicContact CZ-OE1 2.69Å; R150-E153 IonicContact CZ-OE2 2.72Å; R150-E153 IonicContact NE-OE1 2.72Å; R150-E153 PolarHBondContact NE-OE1 2.98Å; R150-E153 IonicContact NE-OE2 3.97Å; R150-E153 PolarHBondContact NE-OE2 3.07Å; R150-E153 VanDerWaalsContact NE-OE2 3.13Å; R150-E153 IonicContact NH1-OE2 3.9Å; R150-E153 IonicContact NH2-OE1 3.57Å; R150-E153 PolarHBondContact NH2-OE1 2.87Å; R150-E153 IonicContact NH2-OE2 3.23Å; R150-E153 PolarHBondContact NH2-OE2 3.18Å; R150-E153 WeakPolarHBondContact O-CB 3.4Å; R150-E153 PolarHBondContact O-N 2.87Å; R150-E153 VanDerWaalsContact O-N 3.09Å; E151-E153 PolarHBondContact O-N 2.95Å; E153-A157 WeakPolarHBondContact O-CB 3.29Å; E153-A157 PolarHBondContact O-N 3.29Å
154Q96.5Very high98.1Very high129 Ų12967.3 Ų67.360%0.60334%0.339SS*.Hα-helixtrans-68.5-44.1176.3-60.7-172.818.900110.9E151 A157 Y158E151-Q154 PolarHBondContact O-N 3.26Å; E151-Q154 VanDerWaalsContact O-N 3.13Å; Q154-A157 PolarHBondContact O-N 2.94Å; Q154-Y158 PolarHBondContact O-N 3.22Å
155L97.7Very high98Very high27 Ų2765.6 Ų65.614%0.14134%0.337CS..Hα-helixtrans-63.4-44.3176.9-70170.5000111.2D113 L125 W132 E151 A157 Y158 L159D113-L155 HydrophobicContact CB-CD1 4.23Å; L125-L155 HydrophobicContact CD2-CB 4.26Å; W132-L155 HydrophobicContact CH2-CD1 3.37Å; W132-L155 HydrophobicContact CZ2-CD1 3.82Å; W132-L155 HydrophobicContact CZ3-CD1 4.48Å; E151-L155 PolarHBondContact O-N 3.15Å; E151-L155 VanDerWaalsContact O-N 3.08Å; L155-A157 PolarHBondContact O-N 2.99Å; L155-Y158 WeakPolarHBondContact O-CB 3.22Å; L155-Y158 PolarHBondContact O-N 3.17Å; L155-L159 WeakPolarHBondContact O-CB 3.32Å; L155-L159 WeakPolarHBondContact O-CG 3.31Å; L155-L159 PolarHBondContact O-N 2.84Å
156R98.3Very high98Very high69 Ų6962.2 Ų62.226%0.2632%0.321SS..Hα-helixtrans-58.8-46.1175.2-176.6172.7179.5-137-12.8112.1L129 R130 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 3.85Å; L129-R156 HydrophobicContact CD1-CG 4.2Å; R130-R156 VanDerWaalsContact CZ-NH1 3.29Å; A152-R156 WeakPolarHBondContact O-CB 3.36Å; A152-R156 PolarHBondContact O-N 3.27Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 3.38Å; R156-L159 PolarHBondContact O-N 2.83Å; R156-E160 HydrophobicContact CG-CG 4.08Å; R156-E160 IonicContact CZ-OE1 2.95Å; R156-E160 VanDerWaalsContact CZ-OE1 3.28Å; R156-E160 IonicContact CZ-OE2 3.89Å; R156-E160 VanDerWaalsContact NE-CD 3.3Å; R156-E160 IonicContact NE-OE1 3.8Å; R156-E160 PolarHBondContact NE-OE1 2.59Å; R156-E160 IonicContact NE-OE2 3.11Å; R156-E160 PolarHBondContact NE-OE2 3.27Å; R156-E160 IonicContact NH2-OE1 2.76Å; R156-E160 PolarHBondContact NH2-OE1 3.19Å; R156-E160 IonicContact NH2-OE2 3.36Å; R156-E160 PolarHBondContact NH2-OE2 2.8Å; R156-E160 WeakPolarHBondContact O-CB 3.3Å; R156-E160 PolarHBondContact O-N 3.15Å
157A98.3Very high98Very high65 Ų6559.6 Ų59.654%0.53731%0.311SS..Hα-helixtrans-60.5-38.8176.900000112.3E153 Q154 L155 G161E153-A157 WeakPolarHBondContact O-CB 3.29Å; E153-A157 PolarHBondContact O-N 3.29Å; Q154-A157 PolarHBondContact O-N 2.94Å; L155-A157 PolarHBondContact O-N 2.99Å; A157-G161 PolarHBondContact O-N 2.91Å; A157-G161 VanDerWaalsContact O-N 3.16Å
158Y97.9Very high98Very high47 Ų4760.8 Ų60.818%0.18431%0.312CS..Iπ-helixtrans-66.4-48173.5170.3-98000112.3Y98 Q154 L155 R156 G161 L162 C163Y98-Y158 AromaticContact CD2-CE1 3.84Å; Y98-Y158 HydrophobicContact CD2-CE1 3.84Å; Y98-Y158 AromaticContact CE2-CE1 3.68Å; Y98-Y158 HydrophobicContact CE2-CE1 3.68Å; Y98-Y158 AromaticContact CE2-CZ 3.93Å; Q154-Y158 PolarHBondContact O-N 3.22Å; L155-Y158 WeakPolarHBondContact O-CB 3.22Å; L155-Y158 PolarHBondContact O-N 3.17Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 3.38Å; Y158-G161 CarbonylContact O-C 3.56Å; Y158-G161 PolarHBondContact O-N 3.28Å; Y158-L162 HydrophobicContact CD2-CB 3.78Å; Y158-L162 HydrophobicContact CD2-CD1 4.14Å; Y158-L162 HydrophobicContact CE2-CB 4Å; Y158-L162 PolarHBondContact O-N 3.38Å; Y158-L162 VanDerWaalsContact O-N 3.09Å; Y158-C163 HydrophobicContact CD1-CB 4.36Å; Y158-C163 HydrophobicContact CE1-CB 3.9Å; Y158-C163 WeakPolarHBondContact O-CB 3.36Å; Y158-C163 PolarHBondContact O-N 2.86Å
159L98.5Very high97.9Very high1 Ų162.1 Ų62.11%0.00530%0.298CS..Iπ-helixtrans-69.4-41-174.5-70.1171.8000112.5G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.13Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L155-L159 WeakPolarHBondContact O-CB 3.32Å; L155-L159 WeakPolarHBondContact O-CG 3.31Å; L155-L159 PolarHBondContact O-N 2.84Å; R156-L159 PolarHBondContact O-N 2.83Å; L159-V164 WeakPolarHBondContact O-CG2 3.44Å
160E98Very high97.9Very high89 Ų8959.8 Ų59.842%0.41628%0.279SS..Iπ-helixtrans-76.6-26.4177.2-68.8-179.4163.600113L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.38Å; L108-E160 HydrophobicContact CD2-CG 3.68Å; L129-E160 HydrophobicContact CD1-CG 4.17Å; R156-E160 HydrophobicContact CG-CG 4.08Å; R156-E160 IonicContact CZ-OE1 2.95Å; R156-E160 VanDerWaalsContact CZ-OE1 3.28Å; R156-E160 IonicContact CZ-OE2 3.89Å; R156-E160 VanDerWaalsContact NE-CD 3.3Å; R156-E160 IonicContact NE-OE1 3.8Å; R156-E160 PolarHBondContact NE-OE1 2.59Å; R156-E160 IonicContact NE-OE2 3.11Å; R156-E160 PolarHBondContact NE-OE2 3.27Å; R156-E160 IonicContact NH2-OE1 2.76Å; R156-E160 PolarHBondContact NH2-OE1 3.19Å; R156-E160 IonicContact NH2-OE2 3.36Å; R156-E160 PolarHBondContact NH2-OE2 2.8Å; R156-E160 WeakPolarHBondContact O-CB 3.3Å; R156-E160 PolarHBondContact O-N 3.15Å
161G97.8Very high97.8Very high23 Ų2353.2 Ų53.224%0.23726%0.255CS..Iπ-helixtrans-107-92-177.800000112.9A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 2.91Å; A157-G161 VanDerWaalsContact O-N 3.16Å; Y158-G161 CarbonylContact O-C 3.56Å; Y158-G161 PolarHBondContact O-N 3.28Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.09Å; G161-V164 PolarHBondContact O-N 3.37Å; G161-V164 VanDerWaalsContact O-N 3.11Å; G161-E165 WeakPolarHBondContact O-CG 3.3Å; G161-E165 PolarHBondContact O-N 2.84Å
162L97.5Very high97.8Very high84 Ų8458.3 Ų58.344%0.4428%0.276SS..Iπ-helixtrans-55.7-40.6-169.4-71.1175.6000113.4Y158 V164 E165 W166Y158-L162 HydrophobicContact CD2-CB 3.78Å; Y158-L162 HydrophobicContact CD2-CD1 4.14Å; Y158-L162 HydrophobicContact CE2-CB 4Å; Y158-L162 PolarHBondContact O-N 3.38Å; Y158-L162 VanDerWaalsContact O-N 3.09Å; L162-V164 PolarHBondContact O-N 2.85Å; L162-E165 PolarHBondContact O-N 2.9Å; L162-W166 WeakPolarHBondContact O-CB 3.44Å; L162-W166 PolarHBondContact O-N 2.8Å
163C98.4Very high97.7Very high0 Ų060.3 Ų60.30%029%0.285CS..Iπ-helixtrans-59.6-49.4179.3-172.30000111.1M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.38Å; M4-C163 WeakPolarHBondContact CE-SG 3.18Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 3.04Å; C100-C163 VanDerWaalsContact N-SG 3.35Å; C100-C163 WeakPolarHBondContact SG-CB 3.34Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.62Å; Y158-C163 HydrophobicContact CD1-CB 4.36Å; Y158-C163 HydrophobicContact CE1-CB 3.9Å; Y158-C163 WeakPolarHBondContact O-CB 3.36Å; Y158-C163 PolarHBondContact O-N 2.86Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.09Å; C163-W166 PolarHBondContact O-N 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.46Å; C163-L167 PolarHBondContact O-N 3.07Å
164V98.5Very high97.5Very high7 Ų755.7 Ų55.74%0.04227%0.265CS..Hα-helixtrans-64.6-42.1178.7174.50000111.3V102 G106 L108 L159 G161 L162 L167 R168V102-V164 HydrophobicContact CG1-CB 4.4Å; V102-V164 HydrophobicContact CG1-CG1 4.01Å; V102-V164 HydrophobicContact CG1-CG2 3.98Å; G106-V164 WeakPolarHBondContact O-CG1 3.35Å; L108-V164 HydrophobicContact CB-CG2 4.01Å; L108-V164 HydrophobicContact CD1-CG2 3.87Å; L159-V164 WeakPolarHBondContact O-CG2 3.44Å; G161-V164 PolarHBondContact O-N 3.37Å; G161-V164 VanDerWaalsContact O-N 3.11Å; L162-V164 PolarHBondContact O-N 2.85Å; V164-L167 PolarHBondContact O-N 2.82Å; V164-R168 VanDerWaalsContact O-CG 3.29Å; V164-R168 WeakPolarHBondContact O-CG 3.36Å; V164-R168 PolarHBondContact O-N 2.86Å
165E98.2Very high97.4Very high118 Ų11855.9 Ų55.955%0.55126%0.264SS*.Hα-helixtrans-61.5-46.9177.8-71.8176.7179.900112.2G161 L162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.3Å; G161-E165 PolarHBondContact O-N 2.84Å; L162-E165 PolarHBondContact O-N 2.9Å; E165-R168 PolarHBondContact O-N 3.01Å; E165-R169 PolarHBondContact O-N 3.03Å
166W98Very high96.9Very high39 Ų3963.2 Ų63.215%0.14830%0.297CS..Hα-helixtrans-67-42.8177.8-82103.3000111.9M4 Y58 L162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.07Å; M4-W166 HydrophobicContact SD-CB 4.4Å; Y58-W166 AromaticContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CZ2 4.24Å; Y58-W166 AromaticContact CD2-CZ3 3.75Å; Y58-W166 HydrophobicContact CD2-CZ3 3.75Å; Y58-W166 HydrophobicContact CE2-CE3 4.19Å; Y58-W166 AromaticContact CE2-CH2 3.91Å; Y58-W166 HydrophobicContact CE2-CH2 3.91Å; Y58-W166 AromaticContact CE2-CZ3 3.71Å; Y58-W166 HydrophobicContact CE2-CZ3 3.71Å; L162-W166 WeakPolarHBondContact O-CB 3.44Å; L162-W166 PolarHBondContact O-N 2.8Å; C163-W166 PolarHBondContact O-N 3.32Å; W166-R168 PolarHBondContact O-N 2.86Å; W166-R169 WeakPolarHBondContact O-CB 3.42Å; W166-R169 PolarHBondContact O-N 2.93Å; W166-R169 VanDerWaalsContact O-N 3.13Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CE3-CD1 4.5Å; W166-Y170 AromaticContact CE3-CE1 3.61Å; W166-Y170 HydrophobicContact CE3-CE1 3.61Å; W166-Y170 HydrophobicContact CE3-CE2 4.27Å; W166-Y170 AromaticContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-OH 3.25Å; W166-Y170 AromaticContact CZ3-CE1 4Å; W166-Y170 HydrophobicContact CZ3-CE1 4Å; W166-Y170 VanDerWaalsContact O-CD2 3.27Å; W166-Y170 WeakPolarHBondContact O-CD2 3.03Å; W166-Y170 VanDerWaalsContact O-CG 3.28Å; W166-Y170 PolarHBondContact O-N 3.09Å
167L98.4Very high96.4Very high0 Ų063.4 Ų63.40%031%0.306CS..Hα-helixtrans-58.5-46.4175.7175.451.9000111.4H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.4Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 4.1Å; M4-L167 HydrophobicContact CB-CG 4.27Å; M4-L167 HydrophobicContact CE-CB 4.4Å; M4-L167 HydrophobicContact SD-CB 4.44Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.24Å; V102-L167 HydrophobicContact CB-CD2 4.32Å; V102-L167 HydrophobicContact CG1-CD2 3.92Å; V102-L167 HydrophobicContact CG2-CD2 3.56Å; V102-L167 HydrophobicContact CG2-CG 4.18Å; C163-L167 WeakPolarHBondContact O-CB 3.46Å; C163-L167 PolarHBondContact O-N 3.07Å; V164-L167 PolarHBondContact O-N 2.82Å; L167-R169 VanDerWaalsContact C-N 3.31Å; L167-R169 PolarHBondContact O-N 2.85Å; L167-Y170 PolarHBondContact O-N 2.72Å; L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.41Å; L167-L171 HydrophobicContact CD1-CG 3.86Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.45Å; L167-L171 WeakPolarHBondContact O-CB 3.4Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.17Å; L167-L171 PolarHBondContact O-N 2.69Å
168R97.5Very high96.1Very high118 Ų11860.6 Ų60.645%0.44528%0.282SS..Hα-helixtrans-60-40.4175.4-72.2173.4-176.3174.31.1112.4G106 V164 E165 W166 K172G106-R168 VanDerWaalsContact C-NH2 3.32Å; G106-R168 PolarHBondContact O-NE 3.01Å; G106-R168 PolarHBondContact O-NH2 3.35Å; V164-R168 VanDerWaalsContact O-CG 3.29Å; V164-R168 WeakPolarHBondContact O-CG 3.36Å; V164-R168 PolarHBondContact O-N 2.86Å; E165-R168 PolarHBondContact O-N 3.01Å; W166-R168 PolarHBondContact O-N 2.86Å; R168-K172 WeakPolarHBondContact O-CB 3.49Å; R168-K172 PolarHBondContact O-N 3.11Å
169R97.2Very high95.5Very high116 Ų11663 Ų6344%0.43830%0.295SS..Hα-helixtrans-63-46175.9177.3174.3173.3142.82.2111.2E54 E165 W166 L167 K172 N173E54-R169 IonicContact OE1-CZ 2.76Å; E54-R169 VanDerWaalsContact OE1-CZ 3.3Å; E54-R169 IonicContact OE1-NE 3.83Å; E54-R169 PolarHBondContact OE1-NE 2.9Å; E54-R169 IonicContact OE1-NH2 3.59Å; E54-R169 PolarHBondContact OE1-NH2 2.72Å; E54-R169 IonicContact OE2-CZ 2.7Å; E54-R169 IonicContact OE2-NE 3.98Å; E54-R169 IonicContact OE2-NH2 3.34Å; E54-R169 PolarHBondContact OE2-NH2 3.23Å; E165-R169 PolarHBondContact O-N 3.03Å; W166-R169 WeakPolarHBondContact O-CB 3.42Å; W166-R169 PolarHBondContact O-N 2.93Å; W166-R169 VanDerWaalsContact O-N 3.13Å; L167-R169 VanDerWaalsContact C-N 3.31Å; L167-R169 PolarHBondContact O-N 2.85Å; R169-K172 WeakPolarHBondContact O-CB 3.41Å; R169-K172 PolarHBondContact O-N 3.46Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.37Å; R169-N173 PolarHBondContact O-N 2.94Å; R169-N173 PolarHBondContact O-OD1 3.14Å
170Y97.5Very high95Very high1 Ų165.8 Ų65.80%0.00431%0.314CS..Hα-helixtrans-65-42.2178.1-61.3-33.6000112.5M4 V27 F32 W50 V51 Y58 W166 L167 K172 N173 G174M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.54Å; M4-Y170 VanDerWaalsContact SD-CE2 3.54Å; V27-Y170 HydrophobicContact CG2-CD2 3.93Å; V27-Y170 HydrophobicContact CG2-CG 4.41Å; F32-Y170 HydrophobicContact CE2-CD2 4.5Å; F32-Y170 AromaticContact CE2-CE2 3.8Å; F32-Y170 HydrophobicContact CE2-CE2 3.8Å; F32-Y170 AromaticContact CE2-CZ 3.92Å; F32-Y170 HydrophobicContact CZ-CD2 4.41Å; F32-Y170 AromaticContact CZ-CE2 3.82Å; F32-Y170 HydrophobicContact CZ-CE2 3.82Å; W50-Y170 HydrophobicContact CE3-CD1 4.2Å; W50-Y170 HydrophobicContact CE3-CG 4.46Å; W50-Y170 HydrophobicContact CH2-CD1 4.49Å; W50-Y170 HydrophobicContact CH2-CG 4.11Å; W50-Y170 AromaticContact CZ3-CD1 3.54Å; W50-Y170 HydrophobicContact CZ3-CD1 3.54Å; W50-Y170 HydrophobicContact CZ3-CD2 4.31Å; W50-Y170 HydrophobicContact CZ3-CE1 4.28Å; W50-Y170 AromaticContact CZ3-CG 3.56Å; W50-Y170 HydrophobicContact CZ3-CG 3.56Å; V51-Y170 HydrophobicContact CG2-CE1 4.31Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.24Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.2Å; Y58-Y170 PolarHBondContact OH-OH 2.84Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CE3-CD1 4.5Å; W166-Y170 AromaticContact CE3-CE1 3.61Å; W166-Y170 HydrophobicContact CE3-CE1 3.61Å; W166-Y170 HydrophobicContact CE3-CE2 4.27Å; W166-Y170 AromaticContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-OH 3.25Å; W166-Y170 AromaticContact CZ3-CE1 4Å; W166-Y170 HydrophobicContact CZ3-CE1 4Å; W166-Y170 VanDerWaalsContact O-CD2 3.27Å; W166-Y170 WeakPolarHBondContact O-CD2 3.03Å; W166-Y170 VanDerWaalsContact O-CG 3.28Å; W166-Y170 PolarHBondContact O-N 3.09Å; L167-Y170 PolarHBondContact O-N 2.72Å; Y170-K172 VanDerWaalsContact C-N 3.28Å; Y170-K172 PolarHBondContact O-N 3.46Å; Y170-N173 PolarHBondContact O-N 3.12Å; Y170-G174 PolarHBondContact O-N 2.84Å
171L96.8Very high94.7Very high14 Ų1463.2 Ų63.27%0.07331%0.308CS..Hα-helixtrans-61.2-36.9174.5-70.3169.7000112.3H2 V27 L167 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.69Å; H2-L171 HydrophobicContact CB-CD2 4Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.45Å; V27-L171 HydrophobicContact CG1-CD2 4.05Å; L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.41Å; L167-L171 HydrophobicContact CD1-CG 3.86Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.45Å; L167-L171 WeakPolarHBondContact O-CB 3.4Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.17Å; L167-L171 PolarHBondContact O-N 2.69Å; L171-K175 WeakPolarHBondContact O-CA 3.42Å; L171-K175 PolarHBondContact O-N 2.81Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.3Å; L171-Q179 PolarHBondContact O-NE2 2.99Å
172K96.1Very high94.5Very high169 Ų16966.8 Ų66.874%0.73532%0.319SS*.Hα-helixtrans-67.7-45.1174.3-176.5-178.4178.2-176.50111.5R168 R169 Y170R168-K172 WeakPolarHBondContact O-CB 3.49Å; R168-K172 PolarHBondContact O-N 3.11Å; R169-K172 WeakPolarHBondContact O-CB 3.41Å; R169-K172 PolarHBondContact O-N 3.46Å; Y170-K172 VanDerWaalsContact C-N 3.28Å; Y170-K172 PolarHBondContact O-N 3.46Å
173N96Very high94.4Very high50 Ų5067.4 Ų67.427%0.26732%0.319SS..Hα-helixtrans-68.4-40.1-177.7-77.25.2000112.5W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.47Å; Q53-N173 PolarHBondContact NE2-ND2 2.83Å; E54-N173 PolarHBondContact OE1-ND2 3.02Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.37Å; R169-N173 PolarHBondContact O-N 2.94Å; R169-N173 PolarHBondContact O-OD1 3.14Å; Y170-N173 PolarHBondContact O-N 3.12Å
174G94.9Very high94.3Very high3 Ų367.8 Ų67.83%0.03132%0.322CS..THydrogen-bonded Turntrans-101.622.9-177.700000113.8Y170 E176 T177 L178Y170-G174 PolarHBondContact O-N 2.84Å; G174-E176 PolarHBondContact O-N 3.3Å; G174-E176 VanDerWaalsContact O-N 3.1Å; G174-T177 PolarHBondContact O-N 3.46Å; G174-T177 PolarHBondContact O-OG1 3.44Å; G174-L178 PolarHBondContact O-N 2.82Å
175K93Very high94.3Very high134 Ų13474.9 Ų74.958%0.58335%0.352SS*.Hα-helixtrans-48.5-43.1-172.3-176.1-178.7179.2-172.80113.7L171 T177 Q179L171-K175 WeakPolarHBondContact O-CA 3.42Å; L171-K175 PolarHBondContact O-N 2.81Å; K175-T177 PolarHBondContact O-N 3.16Å; K175-Q179 WeakPolarHBondContact O-CB 3.27Å; K175-Q179 PolarHBondContact O-N 3.3Å
176E88.9Confident94.3Very high180 Ų18070.9 Ų70.984%0.84134%0.336SS*.Hα-helixtrans-66.3-24.9-177.7-64.3179.817300113.6G174 S180G174-E176 PolarHBondContact O-N 3.3Å; G174-E176 VanDerWaalsContact O-N 3.1Å; E176-S180 WeakPolarHBondContact O-CB 3.28Å
177T87.9Confident94.2Very high74 Ų7472.8 Ų72.845%0.45435%0.346SS..Hα-helixtrans-105-48.4-177.949.60000111.7G174 K175G174-T177 PolarHBondContact O-N 3.46Å; G174-T177 PolarHBondContact O-OG1 3.44Å; K175-T177 PolarHBondContact O-N 3.16Å
178L90.3Very high94.2Very high5 Ų573.9 Ų73.93%0.02635%0.353CS..Hα-helixtrans-78.4-23.3-173.6-61.2173.1000113.9V27 T30 W50 L171 G174V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.87Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å; T30-L178 HydrophobicContact CG2-CD2 4.07Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.37Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.15Å; W50-L178 HydrophobicContact CZ2-CG 4.4Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.3Å; G174-L178 PolarHBondContact O-N 2.82Å
179Q85.9Confident94.2Very high97 Ų9770 Ų7045%0.45334%0.342SS..THydrogen-bonded Turntrans-111.79.1179.8-57.1177.432.100112.5L171 K175L171-Q179 PolarHBondContact O-NE2 2.99Å; K175-Q179 WeakPolarHBondContact O-CB 3.27Å; K175-Q179 PolarHBondContact O-N 3.3Å
180S88.3Confident94.1Very high60 Ų6067 Ų6742%0.4233%0.333SS..PPolyproline II helixtrans-102.9119173.1-173.90000108.7E176 Y208E176-S180 WeakPolarHBondContact O-CB 3.28Å; S180-Y208 WeakPolarHBondContact O-CD1 3.4Å
181A91.1Very high94Very high35 Ų3570.9 Ų70.929%0.28935%0.351SS..PPolyproline II helixtrans-87.2128171.300000109.5Y208A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 VanDerWaalsContact CA-O 3.26Å; A181-Y208 WeakPolarHBondContact CA-O 3.18Å
182E93.8Very high93.8Very high99 Ų9974.9 Ų74.946%0.46338%0.378SS..BIsolated β-bridgetrans-94.6122.1172.5-66.1-168.4-160.700109.3F207 Y208 T239 H262E182-F207 WeakPolarHBondContact O-CA 3.04Å; E182-F207 WeakPolarHBondContact O-CB 3.5Å; E182-Y208 PolarHBondContact N-O 3.4Å; E182-Y208 PolarHBondContact O-N 2.98Å; E182-T239 WeakPolarHBondContact OE2-CG2 3.45Å; E182-H262 PolarHBondContact O-CE1 3.49Å
183H95.4Very high93.6Very high96 Ų9671.4 Ų71.444%0.44437%0.371SS..PPolyproline II helixtrans-70.4144.9-179.4-56.9-91.2000112.1K185 G264 L265H183-K185 PolarHBondContact O-N 2.83Å; H183-G264 PolarHBondContact CE1-O 2.81Å; H183-G264 PolarHBondContact ND1-O 3.31Å; H183-L265 HydrophobicContact CB-CD2 4.17Å; H183-L265 WeakPolarHBondContact ND1-CA 3.3Å; H183-L265 PolarHBondContact ND1-N 3.28Å
184P97.6Very high93.4Very high9 Ų971.5 Ų71.56%0.05838%0.376CS..PPolyproline II helixtrans-67.3131.2175.828.5-34.8000111.8T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.96Å; P184-T186 HydrophobicContact CG-CG2 4.18Å; P184-T186 PolarHBondContact O-N 3.46Å; P184-A204 HydrophobicContact CB-CB 3.9Å; P184-F207 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CD1 3.95Å; P184-F207 HydrophobicContact CB-CG 4.19Å; P184-I212 HydrophobicContact CB-CD1 4.03Å; P184-I212 HydrophobicContact CG-CD1 4.15Å; P184-V260 HydrophobicContact CG-CG1 3.99Å; P184-H262 HydrophobicContact CG-CB 4.13Å; P184-L265 HydrophobicContact CG-CD1 3.85Å; P184-L265 HydrophobicContact CG-CD2 4.43Å; P184-L265 HydrophobicContact CG-CG 4.18Å
185K97.8Very high93.2Very high155 Ų15578.5 Ų78.567%0.67441%0.412SS*.EExtended strand (participates in β ladder)trans-78.9109.2163.5-65.4171-172.71640108H183 L205H183-K185 PolarHBondContact O-N 2.83Å; K185-L205 PolarHBondContact N-O 3.38Å; K185-L205 PolarHBondContact O-N 3.34Å
186T97.8Very high93.1Very high35 Ų3579 Ų7922%0.21542%0.417CS..EExtended strand (participates in β ladder)trans-109.4141.7-172.155.40000112.8P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.96Å; P184-T186 HydrophobicContact CG-CG2 4.18Å; P184-T186 PolarHBondContact O-N 3.46Å; T186-W203 WeakPolarHBondContact CA-O 3.17Å; T186-A204 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CB 4.39Å; T186-V260 HydrophobicContact CG2-CG1 4.13Å; T186-V260 HydrophobicContact CG2-CG2 4.02Å; T186-L269 HydrophobicContact CG2-CD1 4.28Å; T186-L271 HydrophobicContact CG2-CD1 4.16Å; T186-L271 WeakPolarHBondContact OG1-CD2 3.35Å
187H97.2Very high93.4Very high78 Ų7875 Ų7536%0.36140%0.398SS..EExtended strand (participates in β ladder)trans-157.2158.9171.262.9-74.6000110.6W203H187-W203 VanDerWaalsContact CE1-CB 3.41Å; H187-W203 WeakPolarHBondContact CE1-CB 3.49Å; H187-W203 AromaticContact CE1-CD1 3.97Å; H187-W203 AromaticContact CE1-CG 3.71Å; H187-W203 PolarHBondContact N-O 2.76Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.75Å; H187-W203 PolarHBondContact O-N 2.85Å
188V98.1Very high93.8Very high23 Ų2371.5 Ų71.514%0.13938%0.377CS..EExtended strand (participates in β ladder)trans-111130.2176.2-179.10000109.4L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.41Å; V188-L200 HydrophobicContact CG1-CD2 4.41Å; V188-R201 CarbonylContact C-O 3.51Å; V188-R201 WeakPolarHBondContact CA-O 3.42Å; V188-C202 HydrophobicContact CG2-CB 4.43Å; V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.32Å; V188-W216 HydrophobicContact CG2-CH2 4.27Å; V188-L271 HydrophobicContact CG2-CB 3.84Å; V188-W273 HydrophobicContact CB-CB 4.48Å; V188-W273 HydrophobicContact CG1-CB 3.83Å
189T96.7Very high94.1Very high36 Ų3672.3 Ų72.322%0.22138%0.382CS..EExtended strand (participates in β ladder)trans-108.5146.7174.452.40000110.4H191 L200 R201 W203T189-H191 PolarHBondContact OG1-CE1 2.94Å; T189-H191 VanDerWaalsContact OG1-CE1 3.31Å; T189-L200 WeakPolarHBondContact O-CA 3.25Å; T189-R201 PolarHBondContact N-O 3.33Å; T189-R201 PolarHBondContact O-N 2.92Å; T189-R201 PolarHBondContact OG1-O 2.85Å; T189-W203 PolarHBondContact OG1-NE1 2.78Å
190H95.9Very high94.7Very high54 Ų5467.7 Ų67.725%0.2536%0.36CS..EExtended strand (participates in β ladder)trans-120.3126.1-179.2169-92.4000109.7A198 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.46Å; H190-L200 HydrophobicContact CB-CD2 3.97Å; H190-E253 IonicContact NE2-OE1 2.98Å; H190-W273 HydrophobicContact CB-CD2 4.07Å; H190-W273 HydrophobicContact CB-CG 4.11Å; H190-W273 HydrophobicContact CB-CZ2 4.01Å; H190-W273 AromaticContact CG-CE2 3.76Å; H190-W273 AromaticContact CG-CZ2 3.79Å; H190-W273 AromaticContact ND1-CZ2 3.94Å
191H94.4Very high95.2Very high82 Ų8267.4 Ų67.438%0.3835%0.35SS..EExtended strand (participates in β ladder)trans-127.1105.3-179.3-58.482.5000109T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-CE1 2.94Å; T189-H191 VanDerWaalsContact OG1-CE1 3.31Å; H191-V193 PolarHBondContact O-N 3.44Å; H191-A198 CarbonylContact O-C 3.57Å; H191-A198 WeakPolarHBondContact O-CA 3.31Å; H191-T199 PolarHBondContact N-O 3.4Å; H191-T199 PolarHBondContact O-N 3.25Å; H191-R201 PolarHBondContact CE1-NH1 2.7Å
192P93.6Very high95.5Very high98 Ų9865.8 Ų65.864%0.63634%0.336SS*.EExtended strand (participates in β ladder)trans-58.4131173-19.730000110.6
193V91.3Very high95.7Very high96 Ų9663.4 Ų63.458%0.58232%0.323SS*.  trans-103.8-41.3176.2-178.80000110H191 E197 T199H191-V193 PolarHBondContact O-N 3.44Å; V193-E197 PolarHBondContact N-O 2.99Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.4Å
194S92.3Very high95.9Very high53 Ų5358.9 Ų58.937%0.37130%0.302SS..SBendtrans-146.9-178174.973.30000110.3H196 E197S194-H196 PolarHBondContact O-N 3.04Å; S194-H196 PolarHBondContact OG-N 2.69Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; S194-E197 PolarHBondContact N-O 2.92Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 2.9Å
195D89.3Confident95.9Very high150 Ų15061 Ų6180%0.80231%0.313SS*.SBendtrans-63.9-20.1172.7-65.6-24.8000112.5S250D195-S250 PolarHBondContact O-OG 2.88Å
196H92.8Very high95.9Very high145 Ų14554.5 Ų54.567%0.67129%0.289SS*.SBendtrans-106.6-15.7-174.1-55.3-49.9000113.9S194 P249 S250S194-H196 PolarHBondContact O-N 3.04Å; S194-H196 PolarHBondContact OG-N 2.69Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; H196-P249 WeakPolarHBondContact O-CA 3.49Å; H196-S250 PolarHBondContact O-N 3.2Å; H196-S250 PolarHBondContact O-OG 2.85Å
197E95Very high95.8Very high95 Ų9552.8 Ų52.844%0.44428%0.279SS..EExtended strand (participates in β ladder)trans-143.6144.8-171.5-66.7178.1173.200112.4V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.99Å; S194-E197 PolarHBondContact N-O 2.92Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 2.9Å; E197-V247 HydrophobicContact CB-CG1 4.13Å; E197-V247 HydrophobicContact CG-CG1 4.34Å; E197-V248 WeakPolarHBondContact CA-O 3.44Å; E197-S250 PolarHBondContact N-OG 2.93Å
198A95.4Very high95.8Very high1 Ų149.8 Ų49.81%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-132.5156.6171.400000110.9H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.46Å; H191-A198 CarbonylContact O-C 3.57Å; H191-A198 WeakPolarHBondContact O-CA 3.31Å; A198-V247 WeakPolarHBondContact O-CA 3.43Å; A198-V248 HydrophobicContact CB-CG2 4.41Å; A198-V248 PolarHBondContact N-O 2.91Å; A198-V248 PolarHBondContact O-N 2.88Å
199T97.2Very high95.7Very high22 Ų2249.6 Ų49.614%0.13526%0.263CS..EExtended strand (participates in β ladder)trans-99.2121170-56.10000109.6H191 V193 A245 V246H191-T199 PolarHBondContact N-O 3.4Å; H191-T199 PolarHBondContact O-N 3.25Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.4Å; T199-A245 HydrophobicContact CG2-CB 3.95Å; T199-V246 WeakPolarHBondContact CA-O 3.39Å
200L97.8Very high95.7Very high0 Ų048.6 Ų48.60%026%0.259CS..EExtended strand (participates in β ladder)trans-91.8127.3165.4-63.7-176000109V188 T189 H190 W216 A245 V246 V248 E253 W273V188-L200 HydrophobicContact CG1-CB 4.41Å; V188-L200 HydrophobicContact CG1-CD2 4.41Å; T189-L200 WeakPolarHBondContact O-CA 3.25Å; H190-L200 HydrophobicContact CB-CD2 3.97Å; L200-W216 HydrophobicContact CB-CH2 3.71Å; L200-W216 HydrophobicContact CB-CZ2 3.78Å; L200-W216 HydrophobicContact CD1-CH2 4.05Å; L200-W216 HydrophobicContact CD1-CZ3 4.22Å; L200-A245 CarbonylContact O-C 3.57Å; L200-A245 WeakPolarHBondContact O-CA 3.35Å; L200-V246 HydrophobicContact CB-CG1 4.25Å; L200-V246 PolarHBondContact N-O 3.37Å; L200-V246 PolarHBondContact O-N 3.22Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 4.09Å; L200-V248 HydrophobicContact CG-CG1 4.16Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; L200-E253 HydrophobicContact CD1-CB 4.11Å; L200-E253 HydrophobicContact CD2-CB 4.48Å; L200-E253 HydrophobicContact CD2-CG 4.37Å; L200-W273 HydrophobicContact CD1-CB 4.46Å; L200-W273 HydrophobicContact CD2-CB 3.84Å; L200-W273 HydrophobicContact CD2-CD2 4.42Å; L200-W273 HydrophobicContact CD2-CG 3.98Å
201R98.2Very high95.7Very high54 Ų5453 Ų5320%0.20428%0.28CS..EExtended strand (participates in β ladder)trans-123.3117.3176.1-177-178.5-63.4118.42.6110.4V188 T189 H191 W203 W243 A244 A245V188-R201 CarbonylContact C-O 3.51Å; V188-R201 WeakPolarHBondContact CA-O 3.42Å; T189-R201 PolarHBondContact N-O 3.33Å; T189-R201 PolarHBondContact O-N 2.92Å; T189-R201 PolarHBondContact OG1-O 2.85Å; H191-R201 PolarHBondContact CE1-NH1 2.7Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; R201-W243 HydrophobicContact CG-CB 4.01Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.89Å; R201-W243 HydrophobicContact CG-CG 4.23Å; R201-A244 WeakPolarHBondContact CA-O 3.48Å; R201-A245 HydrophobicContact CB-CB 4.05Å; R201-A245 HydrophobicContact CG-CB 4.13Å
202C98.3Very high95.9Very high0 Ų049.7 Ų49.70%026%0.264CS..EExtended strand (participates in β ladder)trans-89.6122.5175-173.40000109.5V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.43Å; C202-W216 HydrophobicContact CB-CH2 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; C202-W243 CarbonylContact O-C 3.49Å; C202-W243 WeakPolarHBondContact O-CA 3.34Å; C202-W243 WeakPolarHBondContact O-CB 3.33Å; C202-A244 PolarHBondContact N-O 3.48Å; C202-A244 PolarHBondContact O-N 2.99Å; C202-C258 HydrophobicContact CB-CB 3.53Å; C202-C258 WeakPolarHBondContact CB-SG 3.44Å; C202-C258 WeakPolarHBondContact SG-CB 3.37Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.03Å
203W98.4Very high96.1Very high50 Ų5047.8 Ų47.819%0.18925%0.251CS..EExtended strand (participates in β ladder)trans-105.5141.2179.9-69.489.9000110.4T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.17Å; H187-W203 VanDerWaalsContact CE1-CB 3.41Å; H187-W203 WeakPolarHBondContact CE1-CB 3.49Å; H187-W203 AromaticContact CE1-CD1 3.97Å; H187-W203 AromaticContact CE1-CG 3.71Å; H187-W203 PolarHBondContact N-O 2.76Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.75Å; H187-W203 PolarHBondContact O-N 2.85Å; T189-W203 PolarHBondContact OG1-NE1 2.78Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; W203-L205 HydrophobicContact CZ3-CD2 4.47Å; W203-W243 HydrophobicContact CD2-CB 3.97Å; W203-W243 HydrophobicContact CD2-CG 4.47Å; W203-W243 HydrophobicContact CE3-CB 3.89Å; W203-W243 AromaticContact CE3-CD1 3.87Å; W203-W243 HydrophobicContact CE3-CG 4.18Å; W203-W243 HydrophobicContact CG-CB 4.4Å; W203-W243 AromaticContact CH2-CD1 3.68Å; W203-W243 HydrophobicContact CH2-CG 4.3Å; W203-W243 HydrophobicContact CZ3-CB 4.31Å; W203-W243 AromaticContact CZ3-CD1 3.41Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.41Å; W203-W243 HydrophobicContact CZ3-CG 4.1Å
204A98.4Very high96.4Very high0 Ų043.5 Ų43.50%023%0.225CC..EExtended strand (participates in β ladder)trans-124.4123.9162.300000107.8P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.9Å; T186-A204 HydrophobicContact CG2-CB 4.33Å; A204-F207 HydrophobicContact CB-CD1 4.05Å; A204-F207 HydrophobicContact CB-CE1 3.81Å; A204-F207 WeakPolarHBondContact O-CE1 3.4Å; A204-I212 HydrophobicContact CB-CD1 3.7Å; A204-L214 HydrophobicContact CB-CD1 4.07Å; A204-L214 HydrophobicContact CB-CD2 4.23Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.05Å; A204-K242 PolarHBondContact N-O 3.44Å; A204-K242 PolarHBondContact O-N 3.11Å; A204-K242 VanDerWaalsContact O-O 3.09Å
205L98.1Very high96.7Very high55 Ų5542.8 Ų42.829%0.28822%0.219SC..EExtended strand (participates in β ladder)trans-131.3147.8-175-58.4176.9000110.9K185 W203 Q241K185-L205 PolarHBondContact N-O 3.38Å; K185-L205 PolarHBondContact O-N 3.34Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; W203-L205 HydrophobicContact CZ3-CD2 4.47Å; L205-Q241 HydrophobicContact CD2-CB 3.55Å
206G96.9Very high97.1Very high17 Ų1735.8 Ų35.818%0.17518%0.181CC..EExtended strand (participates in β ladder)trans67.937.3168.700000113.5T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.17Å; G206-F240 PolarHBondContact N-O 2.82Å
207F97.1Very high97.3Very high0 Ų030.8 Ų30.80%016%0.158CC..EExtended strand (participates in β ladder)trans-108.6154.4179.359.4-91000112.4E182 P184 A204 P209 I212 T232 F240 K242 H262E182-F207 WeakPolarHBondContact O-CA 3.04Å; E182-F207 WeakPolarHBondContact O-CB 3.5Å; P184-F207 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CD1 3.95Å; P184-F207 HydrophobicContact CB-CG 4.19Å; A204-F207 HydrophobicContact CB-CD1 4.05Å; A204-F207 HydrophobicContact CB-CE1 3.81Å; A204-F207 WeakPolarHBondContact O-CE1 3.4Å; F207-P209 WeakPolarHBondContact CD2-O 3.36Å; F207-I212 HydrophobicContact CD1-CD1 3.89Å; F207-I212 HydrophobicContact CD2-CB 4.28Å; F207-I212 HydrophobicContact CD2-CD1 3.99Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.99Å; F207-I212 HydrophobicContact CZ-CB 4.14Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.54Å; F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; F207-F240 VanDerWaalsContact CD1-O 3.3Å; F207-F240 WeakPolarHBondContact CD1-O 3.28Å; F207-F240 HydrophobicContact CD2-CB 3.9Å; F207-F240 HydrophobicContact CE1-CB 4.28Å; F207-F240 WeakPolarHBondContact CE1-O 3.26Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.65Å; F207-F240 PolarHBondContact N-O 3.09Å; F207-F240 WeakPolarHBondContact O-CD2 3.35Å; F207-F240 PolarHBondContact O-N 3.18Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.08Å; F207-H262 AromaticContact CD2-CD2 3.87Å; F207-H262 AromaticContact CD2-NE2 3.68Å
208Y96.1Very high97.3Very high15 Ų1529.9 Ų29.96%0.05915%0.15CC..BIsolated β-bridgetrans-150135.2173.5178.2-86.1000109D29 T30 S180 A181 E182 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.98Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.45Å; T30-Y208 PolarHBondContact OG1-OH 2.9Å; S180-Y208 WeakPolarHBondContact O-CD1 3.4Å; A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 VanDerWaalsContact CA-O 3.26Å; A181-Y208 WeakPolarHBondContact CA-O 3.18Å; E182-Y208 PolarHBondContact N-O 3.4Å; E182-Y208 PolarHBondContact O-N 2.98Å; Y208-F240 HydrophobicContact CD2-CD2 4.45Å; Y208-F240 AromaticContact CD2-CE2 3.96Å; Y208-F240 HydrophobicContact CD2-CE2 3.96Å; Y208-F240 HydrophobicContact CE2-CE2 4.44Å; Y208-H262 PolarHBondContact O-CE1 2.88Å
209P96.1Very high97.2Very high18 Ų1834.7 Ų34.712%0.11718%0.176CC..SBendcis-73.1178.93.431-36.7000113.4D29 F207 E211 H262D29-P209 VanDerWaalsContact OD2-CB 3.25Å; D29-P209 WeakPolarHBondContact OD2-CB 3.49Å; F207-P209 WeakPolarHBondContact CD2-O 3.36Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.08Å; P209-H262 PolarHBondContact O-NE2 3.32Å
210A96.9Very high96.9Very high15 Ų1536 Ų3612%0.12419%0.193CC..SBendtrans-69.8-25.2-175.800000113.8D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.33Å; D29-A210 WeakPolarHBondContact OD2-CB 3.23Å; D29-A210 PolarHBondContact OD2-N 2.78Å; A210-I212 PolarHBondContact O-N 2.76Å; A210-T232 HydrophobicContact CB-CG2 4.3Å; A210-T232 WeakPolarHBondContact O-CG2 3.41Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.74Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.7Å; A210-F240 HydrophobicContact CB-CG 3.77Å; A210-F240 HydrophobicContact CB-CZ 3.69Å
211E96.8Very high96.7Very high148 Ų14842.2 Ų42.269%0.69222%0.222SC*.  trans-64.7115.3179.1-171.761.3-148.200110.2P209 H262P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.08Å; E211-H262 PolarHBondContact O-CD2 3.35Å
212I97.7Very high96.5Very high11 Ų1144.2 Ų44.26%0.05624%0.237CC..EExtended strand (participates in β ladder)trans-151.1143.1-179.4-164.1170.7000109.6P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.03Å; P184-I212 HydrophobicContact CG-CD1 4.15Å; A204-I212 HydrophobicContact CB-CD1 3.7Å; F207-I212 HydrophobicContact CD1-CD1 3.89Å; F207-I212 HydrophobicContact CD2-CB 4.28Å; F207-I212 HydrophobicContact CD2-CD1 3.99Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.99Å; F207-I212 HydrophobicContact CZ-CB 4.14Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.54Å; A210-I212 PolarHBondContact O-N 2.76Å; I212-L214 HydrophobicContact CB-CD1 4.49Å; I212-L214 HydrophobicContact CD1-CD1 3.7Å; I212-L214 HydrophobicContact CG1-CD1 3.67Å; I212-L214 HydrophobicContact CG2-CD1 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.24Å; I212-K242 HydrophobicContact CG2-CD 3.57Å; I212-V260 HydrophobicContact CD1-CG1 3.96Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; I212-Q261 VanDerWaalsContact CG1-O 3.32Å; I212-Q261 WeakPolarHBondContact CG1-O 3.25Å; I212-H262 HydrophobicContact CD1-CB 4.29Å; I212-H262 HydrophobicContact CG1-CB 4.06Å
213T97.8Very high96.3Very high58 Ų5845.6 Ų45.636%0.35624%0.244SC..EExtended strand (participates in β ladder)trans-114.4124.5174.3-60.60000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.06Å; T213-V260 WeakPolarHBondContact O-CA 3.38Å; T213-Q261 PolarHBondContact N-O 3.18Å; T213-Q261 PolarHBondContact O-N 3.21Å
214L98Very high95.8Very high7 Ų748.3 Ų48.34%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-118.6123.1173-86.762.5000108.4A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.07Å; A204-L214 HydrophobicContact CB-CD2 4.23Å; I212-L214 HydrophobicContact CB-CD1 4.49Å; I212-L214 HydrophobicContact CD1-CD1 3.7Å; I212-L214 HydrophobicContact CG1-CD1 3.67Å; I212-L214 HydrophobicContact CG2-CD1 4.11Å; L214-L229 HydrophobicContact CB-CD1 4.16Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.42Å; L214-K242 HydrophobicContact CD2-CG 4.45Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.28Å; L214-H259 WeakPolarHBondContact CA-O 3.3Å; L214-V260 HydrophobicContact CD1-CG1 4.1Å; L214-V260 HydrophobicContact CG-CG2 4.32Å
215T97.6Very high95.2Very high38 Ų3857.5 Ų57.523%0.23331%0.309CS..EExtended strand (participates in β ladder)trans-131.9144.4176560000111.4T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.06Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.41Å; T215-H259 PolarHBondContact N-O 3.05Å; T215-H259 PolarHBondContact O-N 2.99Å
216W98.1Very high94.6Very high2 Ų260.1 Ų60.11%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-98.7137.6168.1-82.4106.8000109.7V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.32Å; V188-W216 HydrophobicContact CG2-CH2 4.27Å; L200-W216 HydrophobicContact CB-CH2 3.71Å; L200-W216 HydrophobicContact CB-CZ2 3.78Å; L200-W216 HydrophobicContact CD1-CH2 4.05Å; L200-W216 HydrophobicContact CD1-CZ3 4.22Å; C202-W216 HydrophobicContact CB-CH2 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; W216-Q223 HydrophobicContact CB-CB 4.27Å; W216-Q223 PolarHBondContact O-N 2.69Å; W216-A244 PolarHBondContact NE1-O 3.09Å; W216-V246 HydrophobicContact CB-CG1 4.36Å; W216-V246 HydrophobicContact CD2-CG1 3.63Å; W216-V246 HydrophobicContact CE3-CG1 4.08Å; W216-V246 HydrophobicContact CG-CB 4.16Å; W216-V246 HydrophobicContact CG-CG1 3.76Å; W216-V246 HydrophobicContact CZ2-CG1 4.35Å; W216-T257 WeakPolarHBondContact CA-O 3.37Å; W216-T257 VanDerWaalsContact CE3-C 3.42Å; W216-C258 HydrophobicContact CD2-CB 4.15Å; W216-C258 HydrophobicContact CE3-CB 4.05Å; W216-C258 HydrophobicContact CH2-CB 3.96Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 3.95Å
217Q97.6Very high94.5Very high41 Ų4160.5 Ų60.519%0.19232%0.322CS..EExtended strand (participates in β ladder)trans-122.9146.4172.7-68.7-173.1-9.600110.5E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.48Å; Q217-D222 VanDerWaalsContact CG-OD1 3.23Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.14Å; Q217-D222 PolarHBondContact NE2-OD1 3.36Å; Q217-Y256 CarbonylContact O-C 3.57Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.15Å; Q217-T257 PolarHBondContact N-O 2.85Å; Q217-T257 PolarHBondContact O-N 3Å; Q217-H259 PolarHBondContact OE1-NE2 3.45Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.11Å
218W95.7Very high94.5Very high75 Ų7566 Ų6628%0.28435%0.348SS..EExtended strand (participates in β ladder)trans-118.4115.1170.1176.473.3000108.4G220 E221 Q223 R255 Y256W218-G220 PolarHBondContact O-N 2.85Å; W218-E221 PolarHBondContact N-O 3.37Å; W218-E221 PolarHBondContact O-N 3.24Å; W218-Q223 HydrophobicContact CB-CG 3.97Å; W218-R255 VanDerWaalsContact CE2-NH2 3.27Å; W218-R255 VanDerWaalsContact CZ2-NH1 3.27Å; W218-R255 VanDerWaalsContact NE1-CZ 3.26Å; W218-Y256 HydrophobicContact CB-CD1 4.22Å; W218-Y256 HydrophobicContact CB-CE1 3.99Å; W218-Y256 AromaticContact CD1-CE2 3.57Å; W218-Y256 AromaticContact CD1-CZ 3.58Å; W218-Y256 HydrophobicContact CG-CE1 4.28Å
219D93.1Very high94.5Very high103 Ų10369.5 Ų69.555%0.55137%0.367SS*.THydrogen-bonded Turntrans47.931.1-172.9-68.3-20.5000114.4R255D219-R255 PolarHBondContact N-O 2.93Å; D219-R255 IonicContact OD1-NE 2.92Å; D219-R255 IonicContact OD2-CZ 3.99Å; D219-R255 IonicContact OD2-NE 2.65Å; D219-R255 PolarHBondContact OD2-NE 3.1Å; D219-R255 IonicContact OD2-NH2 3.69Å; D219-R255 PolarHBondContact OD2-NH2 3.16Å
220G90.2Very high94.5Very high48 Ų4870.1 Ų70.150%0.49537%0.371SS..THydrogen-bonded Turntrans93.8-2.1-179.800000115.5W218W218-G220 PolarHBondContact O-N 2.85Å
221E94.3Very high94.5Very high131 Ų13177.6 Ų77.661%0.61240%0.403SS*.EExtended strand (participates in β ladder)trans-97127.7176.5-63.4-170.5169.100112Q217 W218 Q223Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.48Å; W218-E221 PolarHBondContact N-O 3.37Å; W218-E221 PolarHBondContact O-N 3.24Å; E221-Q223 PolarHBondContact O-NE2 2.92Å
222D94.4Very high94.5Very high96 Ų9672.7 Ų72.751%0.51338%0.383SS..EExtended strand (participates in β ladder)trans-63.4131.9-178.7-71.9-22.4000112.7Q217Q217-D222 VanDerWaalsContact CG-OD1 3.23Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.14Å; Q217-D222 PolarHBondContact NE2-OD1 3.36Å
223Q93.7Very high94.5Very high29 Ų2976.7 Ų76.714%0.13640%0.398CS..  trans-102.841.5-177-58.5-59-61.900112.5W216 W218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.27Å; W216-Q223 PolarHBondContact O-N 2.69Å; W218-Q223 HydrophobicContact CB-CG 3.97Å; E221-Q223 PolarHBondContact O-NE2 2.92Å; Q223-Q225 VanDerWaalsContact C-N 3.33Å; Q223-Q225 PolarHBondContact O-N 3.35Å; Q223-D226 PolarHBondContact O-N 2.99Å; Q223-T227 WeakPolarHBondContact O-CB 3.36Å; Q223-T227 PolarHBondContact O-N 3.39Å; Q223-T227 VanDerWaalsContact O-N 3.14Å; Q223-T227 PolarHBondContact O-OG1 2.97Å; Q223-Y256 HydrophobicContact CG-CE1 4.4Å
224T86.9Confident94.5Very high108 Ų10878.4 Ų78.466%0.66341%0.41SS*.THydrogen-bonded Turntrans-61.5-34.9-168.8-44.30000114.1
225Q87.4Confident94.4Very high192 Ų19280.4 Ų80.490%0.89743%0.427SS*.THydrogen-bonded Turntrans-76.1-32.5-177.9-67-173.613.700113Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.33Å; Q223-Q225 PolarHBondContact O-N 3.35Å; Q225-T227 VanDerWaalsContact C-N 3.35Å
226D85.6Confident94.1Very high111 Ų11182.2 Ų82.259%0.59445%0.453SS*.THydrogen-bonded Turntrans-941.1-177.3-56.1-56.3000112.5Q223Q223-D226 PolarHBondContact O-N 2.99Å
227T93.6Very high93.8Very high24 Ų2487.7 Ų87.715%0.14748%0.483CS..EExtended strand (participates in β ladder)trans-94.8120.2179.1-64.10000111.2Q223 Q225 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.36Å; Q223-T227 PolarHBondContact O-N 3.39Å; Q223-T227 VanDerWaalsContact O-N 3.14Å; Q223-T227 PolarHBondContact O-OG1 2.97Å; Q225-T227 VanDerWaalsContact C-N 3.35Å; T227-L229 HydrophobicContact CG2-CB 4.43Å; T227-L229 PolarHBondContact O-N 3.46Å; T227-A244 HydrophobicContact CG2-CB 3.92Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.42Å
228E96.3Very high93.5Very high115 Ų11588.2 Ų88.254%0.53750%0.499SS..EExtended strand (participates in β ladder)trans-76.5107.3163.3-173.9-174-172.500109.1W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.23Å; E228-W243 HydrophobicContact CG-CH2 3.92Å; E228-W243 HydrophobicContact CG-CZ3 3.85Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.43Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.34Å; E228-A244 CarbonylContact O-C 3.59Å; E228-A244 WeakPolarHBondContact O-CA 3.29Å; E228-A245 HydrophobicContact CB-CB 4.41Å; E228-A245 PolarHBondContact N-O 3.49Å; E228-A245 PolarHBondContact O-N 3.42Å
229L96.7Very high93.5Very high89 Ų8985 Ų8547%0.46649%0.488SS..EExtended strand (participates in β ladder)trans-111.6119.6178.4-173.668.6000110.2L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.16Å; T227-L229 HydrophobicContact CG2-CB 4.43Å; T227-L229 PolarHBondContact O-N 3.46Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; L229-A244 HydrophobicContact CD1-CB 3.66Å
230V96.5Very high93.7Very high32 Ų3281.4 Ų81.419%0.19447%0.468CS..PPolyproline II helixtrans-83.6153.7175.1-64.90000112.4K242 W243V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.45Å; V230-K242 WeakPolarHBondContact O-CG 3.49Å; V230-K242 PolarHBondContact O-NZ 2.92Å; V230-W243 HydrophobicContact CB-CD2 4.49Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.28Å; V230-W243 HydrophobicContact CG1-CH2 3.57Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.08Å; V230-W243 HydrophobicContact CG2-CD2 3.75Å; V230-W243 HydrophobicContact CG2-CE3 4.48Å; V230-W243 HydrophobicContact CG2-CG 3.73Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.27Å; V230-W243 PolarHBondContact N-O 3.33Å
231E96.6Very high94.1Very high172 Ų17281.3 Ų81.380%0.80445%0.454SS*.PPolyproline II helixtrans-57.6147.6167.2-67.4-175.917400111.1R233E231-R233 PolarHBondContact O-N 2.93Å
232T97.7Very high94.3Very high45 Ų4576.1 Ų76.128%0.27643%0.429SS..PPolyproline II helixtrans-67.4129.2174-56.20000108.5F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; A210-T232 HydrophobicContact CB-CG2 4.3Å; A210-T232 WeakPolarHBondContact O-CG2 3.41Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.29Å; T232-K242 PolarHBondContact OG1-NZ 2.04Å
233R97.2Very high94.4Very high94 Ų9472.7 Ų72.736%0.35541%0.409SS..EExtended strand (participates in β ladder)trans-125.4145.2-174.969-167.4-179-165.11.2111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 2.93Å; R233-F240 WeakPolarHBondContact O-CA 3.22Å; R233-Q241 HydrophobicContact CG-CG 3.6Å; R233-Q241 PolarHBondContact N-O 3.49Å; R233-Q241 WeakPolarHBondContact O-CG 3.37Å; R233-Q241 PolarHBondContact O-N 2.85Å
234P96.9Very high94.7Very high94 Ų9471.3 Ų71.361%0.6140%0.403SS*.EExtended strand (participates in β ladder)trans-68.5144.517828.5-34.4000111.1F240P234-F240 HydrophobicContact CB-CE1 4.34Å
235A96Very high95.2Very high49 Ų4966.3 Ų66.341%0.40537%0.372SS..  trans-87.3-19.3173.100000112.8T239A235-T239 PolarHBondContact N-O 3.24Å
236G92.6Very high95.7Very high76 Ų7657.3 Ų57.378%0.78433%0.331SS*.SBendtrans98.6-6.8178.300000114.9
237D91.1Very high96.2Very high118 Ų11855.7 Ų55.763%0.63133%0.325SS*.SBendtrans-104.59176.359.12.5000113.2T239D237-T239 WeakPolarHBondContact OD1-CB 3.48Å; D237-T239 PolarHBondContact OD1-N 3.13Å; D237-T239 PolarHBondContact OD1-OG1 3.08Å
238G90.3Very high96.3Very high51 Ų5154.6 Ų54.653%0.52632%0.318SS..SBendtrans97.3-11.1-173.600000113.8
239T95.6Very high96.2Very high9 Ų951.5 Ų51.56%0.05531%0.308CS..  trans-98.4172.8177.674.80000112.7E182 G206 A235 D237E182-T239 WeakPolarHBondContact OE2-CG2 3.45Å; G206-T239 WeakPolarHBondContact CA-OG1 3.17Å; A235-T239 PolarHBondContact N-O 3.24Å; D237-T239 WeakPolarHBondContact OD1-CB 3.48Å; D237-T239 PolarHBondContact OD1-N 3.13Å; D237-T239 PolarHBondContact OD1-OG1 3.08Å
240F97.8Very high96Very high27 Ų2750 Ų5012%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-120.9162.5-178-63.5-86.4000112.4D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.72Å; G206-F240 PolarHBondContact N-O 2.82Å; F207-F240 VanDerWaalsContact CD1-O 3.3Å; F207-F240 WeakPolarHBondContact CD1-O 3.28Å; F207-F240 HydrophobicContact CD2-CB 3.9Å; F207-F240 HydrophobicContact CE1-CB 4.28Å; F207-F240 WeakPolarHBondContact CE1-O 3.26Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.65Å; F207-F240 PolarHBondContact N-O 3.09Å; F207-F240 WeakPolarHBondContact O-CD2 3.35Å; F207-F240 PolarHBondContact O-N 3.18Å; Y208-F240 HydrophobicContact CD2-CD2 4.45Å; Y208-F240 AromaticContact CD2-CE2 3.96Å; Y208-F240 HydrophobicContact CD2-CE2 3.96Å; Y208-F240 HydrophobicContact CE2-CE2 4.44Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.74Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.7Å; A210-F240 HydrophobicContact CB-CG 3.77Å; A210-F240 HydrophobicContact CB-CZ 3.69Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.22Å; P234-F240 HydrophobicContact CB-CE1 4.34Å
241Q98.1Very high95.7Very high45 Ų4551.6 Ų51.621%0.2133%0.327CS..EExtended strand (participates in β ladder)trans-140.7146.2174.142165.6-21.300110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.05Å; L205-Q241 HydrophobicContact CD2-CB 3.55Å; R233-Q241 HydrophobicContact CG-CG 3.6Å; R233-Q241 PolarHBondContact N-O 3.49Å; R233-Q241 WeakPolarHBondContact O-CG 3.37Å; R233-Q241 PolarHBondContact O-N 2.85Å
242K98.5Very high95.6Very high22 Ų2246.5 Ų46.510%0.09630%0.304CS..EExtended strand (participates in β ladder)trans-151.3154.9177.2-162.8-175.8-172.770.50109A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.44Å; A204-K242 PolarHBondContact O-N 3.11Å; A204-K242 VanDerWaalsContact O-O 3.09Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.08Å; I212-K242 HydrophobicContact CG2-CB 4.24Å; I212-K242 HydrophobicContact CG2-CD 3.57Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.42Å; L214-K242 HydrophobicContact CD2-CG 4.45Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.45Å; V230-K242 WeakPolarHBondContact O-CG 3.49Å; V230-K242 PolarHBondContact O-NZ 2.92Å; T232-K242 WeakPolarHBondContact OG1-CD 3.29Å; T232-K242 PolarHBondContact OG1-NZ 2.04Å
243W98.3Very high95.5Very high24 Ų2445.3 Ų45.39%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-144.2156.8169.758.6-98.3000111.6R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.01Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.89Å; R201-W243 HydrophobicContact CG-CG 4.23Å; C202-W243 CarbonylContact O-C 3.49Å; C202-W243 WeakPolarHBondContact O-CA 3.34Å; C202-W243 WeakPolarHBondContact O-CB 3.33Å; W203-W243 HydrophobicContact CD2-CB 3.97Å; W203-W243 HydrophobicContact CD2-CG 4.47Å; W203-W243 HydrophobicContact CE3-CB 3.89Å; W203-W243 AromaticContact CE3-CD1 3.87Å; W203-W243 HydrophobicContact CE3-CG 4.18Å; W203-W243 HydrophobicContact CG-CB 4.4Å; W203-W243 AromaticContact CH2-CD1 3.68Å; W203-W243 HydrophobicContact CH2-CG 4.3Å; W203-W243 HydrophobicContact CZ3-CB 4.31Å; W203-W243 AromaticContact CZ3-CD1 3.41Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.41Å; W203-W243 HydrophobicContact CZ3-CG 4.1Å; E228-W243 HydrophobicContact CB-CZ3 4.23Å; E228-W243 HydrophobicContact CG-CH2 3.92Å; E228-W243 HydrophobicContact CG-CZ3 3.85Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.43Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.34Å; V230-W243 HydrophobicContact CB-CD2 4.49Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.28Å; V230-W243 HydrophobicContact CG1-CH2 3.57Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.08Å; V230-W243 HydrophobicContact CG2-CD2 3.75Å; V230-W243 HydrophobicContact CG2-CE3 4.48Å; V230-W243 HydrophobicContact CG2-CG 3.73Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.27Å; V230-W243 PolarHBondContact N-O 3.33Å; W243-A245 HydrophobicContact CE3-CB 3.95Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
244A98.3Very high95.3Very high0 Ų045.2 Ų45.20%030%0.299CS..EExtended strand (participates in β ladder)trans-128.7130.9173.900000108.5R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.48Å; C202-A244 PolarHBondContact N-O 3.48Å; C202-A244 PolarHBondContact O-N 2.99Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.28Å; W216-A244 PolarHBondContact NE1-O 3.09Å; T227-A244 HydrophobicContact CG2-CB 3.92Å; E228-A244 CarbonylContact O-C 3.59Å; E228-A244 WeakPolarHBondContact O-CA 3.29Å; L229-A244 HydrophobicContact CD1-CB 3.66Å
245A97.8Very high95.3Very high3 Ų344.8 Ų44.83%0.02529%0.285CS..EExtended strand (participates in β ladder)trans-123144.7179.300000111.9T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.95Å; L200-A245 CarbonylContact O-C 3.57Å; L200-A245 WeakPolarHBondContact O-CA 3.35Å; R201-A245 HydrophobicContact CB-CB 4.05Å; R201-A245 HydrophobicContact CG-CB 4.13Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.42Å; E228-A245 HydrophobicContact CB-CB 4.41Å; E228-A245 PolarHBondContact N-O 3.49Å; E228-A245 PolarHBondContact O-N 3.42Å; W243-A245 HydrophobicContact CE3-CB 3.95Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
246V97.4Very high95.3Very high3 Ų343.3 Ų43.32%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-135.4142.1175.963.30000108.9T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.39Å; L200-V246 HydrophobicContact CB-CG1 4.25Å; L200-V246 PolarHBondContact N-O 3.37Å; L200-V246 PolarHBondContact O-N 3.22Å; W216-V246 HydrophobicContact CB-CG1 4.36Å; W216-V246 HydrophobicContact CD2-CG1 3.63Å; W216-V246 HydrophobicContact CE3-CG1 4.08Å; W216-V246 HydrophobicContact CG-CB 4.16Å; W216-V246 HydrophobicContact CG-CG1 3.76Å; W216-V246 HydrophobicContact CZ2-CG1 4.35Å; V246-V248 HydrophobicContact CG1-CG1 3.78Å; V246-V248 HydrophobicContact CG2-CG1 4.43Å; V246-Y256 HydrophobicContact CG1-CD1 4.07Å; V246-Y256 HydrophobicContact CG1-CE1 4.47Å; V246-Y256 HydrophobicContact CG2-CD1 4.48Å; V246-Y256 HydrophobicContact CG2-CE1 4.12Å
247V96.7Very high95.6Very high77 Ų7740.1 Ų40.147%0.46723%0.234SC..EExtended strand (participates in β ladder)trans-86.2129171.8-178.50000108E197 A198E197-V247 HydrophobicContact CB-CG1 4.13Å; E197-V247 HydrophobicContact CG-CG1 4.34Å; A198-V247 WeakPolarHBondContact O-CA 3.43Å
248V95.8Very high95.9Very high1 Ų134.5 Ų34.51%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-128146.7-174.6-52.50000110.6E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.44Å; A198-V248 HydrophobicContact CB-CG2 4.41Å; A198-V248 PolarHBondContact N-O 2.91Å; A198-V248 PolarHBondContact O-N 2.88Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 4.09Å; L200-V248 HydrophobicContact CG-CG1 4.16Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; V246-V248 HydrophobicContact CG1-CG1 3.78Å; V246-V248 HydrophobicContact CG2-CG1 4.43Å; V248-E253 HydrophobicContact CG2-CG 3.94Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.62Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.54Å; V248-Y256 HydrophobicContact CG1-CE1 3.71Å; V248-Y256 HydrophobicContact CG1-CE2 3.48Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.48Å; V248-Y256 HydrophobicContact CG1-CG 3.69Å
249P95.5Very high96.3Very high51 Ų5133.8 Ų33.833%0.33119%0.187SC..EExtended strand (participates in β ladder)trans-63.2139.4170.1-19.732000111.5H196 G251 E252H196-P249 WeakPolarHBondContact O-CA 3.49Å; P249-G251 PolarHBondContact O-N 3.19Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.16Å; P249-E252 PolarHBondContact O-N 2.77Å
250S91.9Very high96.4Very high57 Ų5733.3 Ų33.340%0.39918%0.184SC..THydrogen-bonded Turntrans-55.9125.7174.4-64.60000110.8D195 H196 E197 E253D195-S250 PolarHBondContact O-OG 2.88Å; H196-S250 PolarHBondContact O-N 3.2Å; H196-S250 PolarHBondContact O-OG 2.85Å; E197-S250 PolarHBondContact N-OG 2.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.18Å
251G90.7Very high96.4Very high65 Ų6537 Ų3767%0.6720%0.202SC*.THydrogen-bonded Turntrans91.8-8.2-178.600000115.1P249 E253P249-G251 PolarHBondContact O-N 3.19Å; G251-E253 WeakPolarHBondContact CA-OE2 3.48Å; G251-E253 VanDerWaalsContact N-CD 3.27Å; G251-E253 PolarHBondContact N-OE1 3.24Å; G251-E253 PolarHBondContact N-OE2 3.36Å
252E94.3Very high96.4Very high65 Ų6535.7 Ų35.730%0.30420%0.196SC..  trans-99.24175.5-65.4-159.2-154.400113.5P249 Q254 R255 Y256P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.16Å; P249-E252 PolarHBondContact O-N 2.77Å; E252-Q254 PolarHBondContact O-N 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.47Å; E252-R255 PolarHBondContact O-N 2.78Å; E252-R255 IonicContact OE1-NH1 3.96Å; E252-R255 IonicContact OE2-CZ 3.2Å; E252-R255 IonicContact OE2-NH1 3.66Å; E252-R255 PolarHBondContact OE2-NH1 3.08Å; E252-Y256 HydrophobicContact CB-CE2 4.4Å; E252-Y256 WeakPolarHBondContact O-CD2 3.47Å
253E94.1Very high96.2Very high20 Ų2041.5 Ų41.59%0.09322%0.223CC..G310 helixtrans-57.7-31.5-171.1-56.282.8178.500112.9H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 2.98Å; L200-E253 HydrophobicContact CD1-CB 4.11Å; L200-E253 HydrophobicContact CD2-CB 4.48Å; L200-E253 HydrophobicContact CD2-CG 4.37Å; V248-E253 HydrophobicContact CG2-CG 3.94Å; S250-E253 WeakPolarHBondContact CA-OE1 3.18Å; G251-E253 WeakPolarHBondContact CA-OE2 3.48Å; G251-E253 VanDerWaalsContact N-CD 3.27Å; G251-E253 PolarHBondContact N-OE1 3.24Å; G251-E253 PolarHBondContact N-OE2 3.36Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.01Å; E253-Y256 PolarHBondContact O-N 3.4Å; E253-W273 HydrophobicContact CB-CD2 4.45Å; E253-W273 HydrophobicContact CB-CE3 3.44Å; E253-W273 VanDerWaalsContact CB-CE3 3.44Å; E253-W273 HydrophobicContact CB-CZ3 3.85Å; E253-W273 HydrophobicContact CG-CE3 3.78Å; E253-W273 HydrophobicContact CG-CZ3 3.81Å
254Q94.4Very high95.9Very high92 Ų9241 Ų4143%0.4323%0.225SC..G310 helixtrans-73-15.9-179-63.5-57.4-47.500114E252 Y256 W273E252-Q254 PolarHBondContact O-N 3.32Å; Q254-Y256 VanDerWaalsContact C-N 3.3Å; Q254-W273 PolarHBondContact NE2-O 2.76Å
255R95.8Very high95.8Very high85 Ų8542.1 Ų42.132%0.32123%0.231SC..G310 helixtrans-79.2-17.9174.2-60.9176.769.9-169.92.7112.2W218 D219 E252 E253W218-R255 VanDerWaalsContact CE2-NH2 3.27Å; W218-R255 VanDerWaalsContact CZ2-NH1 3.27Å; W218-R255 VanDerWaalsContact NE1-CZ 3.26Å; D219-R255 PolarHBondContact N-O 2.93Å; D219-R255 IonicContact OD1-NE 2.92Å; D219-R255 IonicContact OD2-CZ 3.99Å; D219-R255 IonicContact OD2-NE 2.65Å; D219-R255 PolarHBondContact OD2-NE 3.1Å; D219-R255 IonicContact OD2-NH2 3.69Å; D219-R255 PolarHBondContact OD2-NH2 3.16Å; E252-R255 WeakPolarHBondContact O-CB 3.47Å; E252-R255 PolarHBondContact O-N 2.78Å; E252-R255 IonicContact OE1-NH1 3.96Å; E252-R255 IonicContact OE2-CZ 3.2Å; E252-R255 IonicContact OE2-NH1 3.66Å; E252-R255 PolarHBondContact OE2-NH1 3.08Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.01Å
256Y96.9Very high95.6Very high18 Ų1847.9 Ų47.97%0.07127%0.268CS..EExtended strand (participates in β ladder)trans-91.3128.1179.9-69.3-95.5000111.2Q217 W218 Q223 V246 V248 E252 E253 Q254Q217-Y256 CarbonylContact O-C 3.57Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.15Å; W218-Y256 HydrophobicContact CB-CD1 4.22Å; W218-Y256 HydrophobicContact CB-CE1 3.99Å; W218-Y256 AromaticContact CD1-CE2 3.57Å; W218-Y256 AromaticContact CD1-CZ 3.58Å; W218-Y256 HydrophobicContact CG-CE1 4.28Å; Q223-Y256 HydrophobicContact CG-CE1 4.4Å; V246-Y256 HydrophobicContact CG1-CD1 4.07Å; V246-Y256 HydrophobicContact CG1-CE1 4.47Å; V246-Y256 HydrophobicContact CG2-CD1 4.48Å; V246-Y256 HydrophobicContact CG2-CE1 4.12Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.62Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.54Å; V248-Y256 HydrophobicContact CG1-CE1 3.71Å; V248-Y256 HydrophobicContact CG1-CE2 3.48Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.48Å; V248-Y256 HydrophobicContact CG1-CG 3.69Å; E252-Y256 HydrophobicContact CB-CE2 4.4Å; E252-Y256 WeakPolarHBondContact O-CD2 3.47Å; E253-Y256 PolarHBondContact O-N 3.4Å; Q254-Y256 VanDerWaalsContact C-N 3.3Å
257T97.8Very high95.5Very high10 Ų1055 Ų556%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-122.2133174.848.50000110.8W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.37Å; W216-T257 VanDerWaalsContact CE3-C 3.42Å; Q217-T257 PolarHBondContact N-O 2.85Å; Q217-T257 PolarHBondContact O-N 3Å; T257-H259 PolarHBondContact OG1-NE2 2.8Å; T257-T270 HydrophobicContact CG2-CG2 3.96Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 WeakPolarHBondContact CA-O 3.36Å; T257-R272 HydrophobicContact CG2-CG 3.64Å; T257-R272 VanDerWaalsContact CG2-NE 3.34Å
258C98.1Very high95.5Very high0 Ų055.1 Ų55.10%030%0.304CS..EExtended strand (participates in β ladder)trans-93.6127.3170.2174.50000109.7C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.53Å; C202-C258 WeakPolarHBondContact CB-SG 3.44Å; C202-C258 WeakPolarHBondContact SG-CB 3.37Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.03Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.41Å; W216-C258 HydrophobicContact CD2-CB 4.15Å; W216-C258 HydrophobicContact CE3-CB 4.05Å; W216-C258 HydrophobicContact CH2-CB 3.96Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 3.95Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.46Å; C258-L271 HydrophobicContact CB-CB 4.3Å; C258-L271 PolarHBondContact N-O 3.43Å; C258-L271 PolarHBondContact O-N 3.05Å
259H97.9Very high95.6Very high35 Ų3558 Ų5816%0.16232%0.319CS..EExtended strand (participates in β ladder)trans-106131.7176.4-65.1-102.5000110L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.3Å; T215-H259 PolarHBondContact N-O 3.05Å; T215-H259 PolarHBondContact O-N 2.99Å; Q217-H259 PolarHBondContact OE1-NE2 3.45Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.11Å; T257-H259 PolarHBondContact OG1-NE2 2.8Å; H259-L269 CarbonylContact C-O 3.57Å; H259-L269 WeakPolarHBondContact CA-O 3.41Å; H259-T270 PolarHBondContact CE1-OG1 2.82Å; H259-T270 PolarHBondContact ND1-OG1 2.92Å
260V98.3Very high95.7Very high0 Ų059.6 Ų59.60%033%0.328CS..EExtended strand (participates in β ladder)trans-124.4119.7-178.5-174.40000109.3P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.99Å; T186-V260 HydrophobicContact CG2-CB 4.39Å; T186-V260 HydrophobicContact CG2-CG1 4.13Å; T186-V260 HydrophobicContact CG2-CG2 4.02Å; I212-V260 HydrophobicContact CD1-CG1 3.96Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; T213-V260 WeakPolarHBondContact O-CA 3.38Å; L214-V260 HydrophobicContact CD1-CG1 4.1Å; L214-V260 HydrophobicContact CG-CG2 4.32Å; V260-L265 HydrophobicContact CG1-CD1 4.24Å; V260-P268 WeakPolarHBondContact O-CA 3.37Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.29Å; V260-L269 PolarHBondContact O-N 2.6Å; V260-L271 HydrophobicContact CG2-CD1 3.68Å
261Q98.1Very high95.9Very high105 Ų10558.4 Ų58.449%0.49132%0.317SS..EExtended strand (participates in β ladder)trans-116.2129.2174.4-55.517918.700109.3I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.32Å; I212-Q261 WeakPolarHBondContact CG1-O 3.25Å; T213-Q261 PolarHBondContact N-O 3.18Å; T213-Q261 PolarHBondContact O-N 3.21Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
262H97.4Very high96.2Very high16 Ų1662.4 Ų62.47%0.07431%0.312CS..EExtended strand (participates in β ladder)trans-154.3144.3-178.3-174.6-101.1000109.1E182 P184 F207 Y208 P209 E211 I212 G264 L265E182-H262 PolarHBondContact O-CE1 3.49Å; P184-H262 HydrophobicContact CG-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.87Å; F207-H262 AromaticContact CD2-NE2 3.68Å; Y208-H262 PolarHBondContact O-CE1 2.88Å; P209-H262 PolarHBondContact O-NE2 3.32Å; E211-H262 PolarHBondContact O-CD2 3.35Å; I212-H262 HydrophobicContact CD1-CB 4.29Å; I212-H262 HydrophobicContact CG1-CB 4.06Å; H262-G264 PolarHBondContact ND1-N 3Å; H262-G264 PolarHBondContact O-N 3.26Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.21Å; H262-L265 PolarHBondContact O-N 3.48Å
263E94.2Very high96.2Very high144 Ų14461.5 Ų61.567%0.67331%0.305SS*.THydrogen-bonded Turntrans-58.5-31.2-179.2178174.9177.200112.9L265E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 2.81Å
264G92.4Very high96Very high13 Ų1368.4 Ų68.413%0.13434%0.338CS..THydrogen-bonded Turntrans-57.9-48.7173.500000110.5H183 H262H183-G264 PolarHBondContact CE1-O 2.81Å; H183-G264 PolarHBondContact ND1-O 3.31Å; H262-G264 PolarHBondContact ND1-N 3Å; H262-G264 PolarHBondContact O-N 3.26Å
265L95.8Very high95.4Very high25 Ų2567.9 Ų67.913%0.13134%0.342CS..  trans-67.1131.9-169.2-65.3168.1000112.8H183 P184 V260 H262 E263 E267 L269H183-L265 HydrophobicContact CB-CD2 4.17Å; H183-L265 WeakPolarHBondContact ND1-CA 3.3Å; H183-L265 PolarHBondContact ND1-N 3.28Å; P184-L265 HydrophobicContact CG-CD1 3.85Å; P184-L265 HydrophobicContact CG-CD2 4.43Å; P184-L265 HydrophobicContact CG-CG 4.18Å; V260-L265 HydrophobicContact CG1-CD1 4.24Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.21Å; H262-L265 PolarHBondContact O-N 3.48Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 2.81Å; L265-E267 VanDerWaalsContact C-N 3.28Å; L265-E267 WeakPolarHBondContact CB-O 3.44Å; L265-E267 PolarHBondContact O-N 2.61Å; L265-L269 HydrophobicContact CD1-CD1 3.97Å; L265-L269 HydrophobicContact CD1-CG 3.86Å; L265-L269 HydrophobicContact CD2-CD1 3.68Å; L265-L269 HydrophobicContact CD2-CD2 4.45Å; L265-L269 HydrophobicContact CD2-CG 3.9Å; L265-L269 HydrophobicContact CG-CG 4.5Å
266P94.5Very high94Very high123 Ų12368.8 Ų68.880%0.79936%0.362SS*.SBendtrans-67.2-32.5175.828.7-34.5000112
267E95.6Very high91.8Very high152 Ų15273.4 Ų73.471%0.7140%0.397SS*.SBendtrans-139.8148.9174.9-66.6-176.8179.500109.3L265 L269L265-E267 VanDerWaalsContact C-N 3.28Å; L265-E267 WeakPolarHBondContact CB-O 3.44Å; L265-E267 PolarHBondContact O-N 2.61Å; E267-L269 PolarHBondContact O-N 3.44Å
268P96.5Very high89.4Confident80 Ų8080.6 Ų80.652%0.51943%0.429SS..  trans-55.1136.6174.4-26.435.8000112.4V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.37Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
269L97.3Very high86.8Confident61 Ų6185.8 Ų85.832%0.31946%0.464SS..EExtended strand (participates in β ladder)trans-85.9141175.2-63.6177.2000110.4T186 H259 V260 L265 E267 L271T186-L269 HydrophobicContact CG2-CD1 4.28Å; H259-L269 CarbonylContact C-O 3.57Å; H259-L269 WeakPolarHBondContact CA-O 3.41Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.29Å; V260-L269 PolarHBondContact O-N 2.6Å; L265-L269 HydrophobicContact CD1-CD1 3.97Å; L265-L269 HydrophobicContact CD1-CG 3.86Å; L265-L269 HydrophobicContact CD2-CD1 3.68Å; L265-L269 HydrophobicContact CD2-CD2 4.45Å; L265-L269 HydrophobicContact CD2-CG 3.9Å; L265-L269 HydrophobicContact CG-CG 4.5Å; E267-L269 PolarHBondContact O-N 3.44Å; L269-L271 HydrophobicContact CB-CD1 4.49Å
270T97.6Very high84.6Confident85 Ų8590.5 Ų90.552%0.52150%0.495SS..EExtended strand (participates in β ladder)trans-119.8117.6170.9-56.30000108.5T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.96Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.46Å; H259-T270 PolarHBondContact CE1-OG1 2.82Å; H259-T270 PolarHBondContact ND1-OG1 2.92Å
271L97Very high82.5Confident32 Ų3295.7 Ų95.717%0.16852%0.522CS..EExtended strand (participates in β ladder)trans-113.5141.9-175.8-61.7127.5000110.3T186 V188 T257 C258 V260 L269T186-L271 HydrophobicContact CG2-CD1 4.16Å; T186-L271 WeakPolarHBondContact OG1-CD2 3.35Å; V188-L271 HydrophobicContact CG2-CB 3.84Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 WeakPolarHBondContact CA-O 3.36Å; C258-L271 HydrophobicContact CB-CB 4.3Å; C258-L271 PolarHBondContact N-O 3.43Å; C258-L271 PolarHBondContact O-N 3.05Å; V260-L271 HydrophobicContact CG2-CD1 3.68Å; L269-L271 HydrophobicContact CB-CD1 4.49Å
272R95.8Very high80.4Confident150 Ų15094.9 Ų94.957%0.56653%0.525SS*.  trans-116.2162.2166-71-175.7177.7150.30.5109.4T257 E274T257-R272 HydrophobicContact CG2-CG 3.64Å; T257-R272 VanDerWaalsContact CG2-NE 3.34Å; R272-E274 PolarHBondContact O-N 3.36Å
273W95.4Very high78.5Confident45 Ų45100 Ų10017%0.1755%0.552CS.*PPolyproline II helixtrans-70.4122.4168170.557.3000110.2V188 H190 L200 E253 Q254 P275V188-W273 HydrophobicContact CB-CB 4.48Å; V188-W273 HydrophobicContact CG1-CB 3.83Å; H190-W273 HydrophobicContact CB-CD2 4.07Å; H190-W273 HydrophobicContact CB-CG 4.11Å; H190-W273 HydrophobicContact CB-CZ2 4.01Å; H190-W273 AromaticContact CG-CE2 3.76Å; H190-W273 AromaticContact CG-CZ2 3.79Å; H190-W273 AromaticContact ND1-CZ2 3.94Å; L200-W273 HydrophobicContact CD1-CB 4.46Å; L200-W273 HydrophobicContact CD2-CB 3.84Å; L200-W273 HydrophobicContact CD2-CD2 4.42Å; L200-W273 HydrophobicContact CD2-CG 3.98Å; E253-W273 HydrophobicContact CB-CD2 4.45Å; E253-W273 HydrophobicContact CB-CE3 3.44Å; E253-W273 VanDerWaalsContact CB-CE3 3.44Å; E253-W273 HydrophobicContact CB-CZ3 3.85Å; E253-W273 HydrophobicContact CG-CE3 3.78Å; E253-W273 HydrophobicContact CG-CZ3 3.81Å; Q254-W273 PolarHBondContact NE2-O 2.76Å; W273-P275 HydrophobicContact CE3-CG 4.38Å; W273-P275 HydrophobicContact CH2-CB 4.22Å; W273-P275 HydrophobicContact CH2-CG 3.87Å; W273-P275 HydrophobicContact CZ2-CB 3.99Å; W273-P275 HydrophobicContact CZ2-CG 3.99Å; W273-P275 HydrophobicContact CZ3-CG 4.06Å
274E89.3Confident76.7Confident166 Ų16699 Ų9978%0.77656%0.556SS**PPolyproline II helixtrans-100.8118.7169.9-71-177.7175.900109.3R272 S276R272-E274 PolarHBondContact O-N 3.36Å; E274-S276 PolarHBondContact O-N 3.31Å
275P81.7Confident75.1Confident80 Ų80100.6 Ų100.652%0.51957%0.571SS.*PPolyproline II helixtrans-58.5129.1172.2-19.830.2000109.3W273 S277W273-P275 HydrophobicContact CE3-CG 4.38Å; W273-P275 HydrophobicContact CH2-CB 4.22Å; W273-P275 HydrophobicContact CH2-CG 3.87Å; W273-P275 HydrophobicContact CZ2-CB 3.99Å; W273-P275 HydrophobicContact CZ2-CG 3.99Å; W273-P275 HydrophobicContact CZ3-CG 4.06Å; P275-S277 PolarHBondContact O-N 2.84Å
276S66Low73.7Confident104 Ų104104 Ų10473%0.72759%0.589SS**  trans-59.2113.8-178.872.90000109.8E274 Q278E274-S276 PolarHBondContact O-N 3.31Å; S276-Q278 PolarHBondContact O-N 2.66Å
277S50.3Low72.5Confident116 Ų116102.3 Ų102.381%0.81158%0.576SS**  trans-75.869.116756.90000108.5P275 P279P275-S277 PolarHBondContact O-N 2.84Å; S277-P279 WeakPolarHBondContact O-CD 3.42Å
278Q47.9Very low71.3Confident160 Ų16097.6 Ų97.675%0.74856%0.563SS**  trans-65.9114.6156.7-80.3-169.7-13.700105.5S276 T280S276-Q278 PolarHBondContact O-N 2.66Å; Q278-T280 PolarHBondContact O-N 3.13Å
279P44.2Very low70.3Confident110 Ų11095.5 Ų95.571%0.71456%0.556SS**  trans-60.2116.216923.8-26.1000105S277 I281S277-P279 WeakPolarHBondContact O-CD 3.42Å; P279-I281 PolarHBondContact O-N 2.67Å
280T51.3Low69.5Low134 Ų13497.7 Ų97.782%0.82257%0.567SS**  trans-61.690.6164.1-37.90000104.6Q278 P282Q278-T280 PolarHBondContact O-N 3.13Å; T280-P282 VanDerWaalsContact O-CD 3.26Å; T280-P282 WeakPolarHBondContact O-CD 3.44Å
281I53.4Low68.5Low109 Ų10996.1 Ų96.156%0.55956%0.563SS**  trans-50.3118167.8-63.5174000103.3P279 I283 I286P279-I281 PolarHBondContact O-N 2.67Å; I281-I283 PolarHBondContact O-N 3.16Å; I281-I286 HydrophobicContact CG2-CD1 3.94Å
282P53.9Low67.7Low88 Ų8898.8 Ų98.857%0.57158%0.58SS**  trans-7385.4-174.828.3-31.9000106.5T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.26Å; T280-P282 WeakPolarHBondContact O-CD 3.44Å; P282-V284 PolarHBondContact O-N 3.49Å; P282-V284 VanDerWaalsContact O-N 3.1Å; P282-G285 WeakPolarHBondContact O-CA 3.44Å; P282-G285 PolarHBondContact O-N 3.03Å; P282-I286 PolarHBondContact O-N 2.92Å
283I59.1Low67Low124 Ų12496.9 Ų96.964%0.63658%0.581SS**Hα-helixtrans-53.5-32.9176.3-65.8169.6000108.6I281 G285 I286 V287I281-I283 PolarHBondContact O-N 3.16Å; I283-G285 PolarHBondContact O-N 3.38Å; I283-I286 PolarHBondContact O-N 2.98Å; I283-V287 HydrophobicContact CG2-CG2 4.23Å; I283-V287 WeakPolarHBondContact O-CB 3.5Å; I283-V287 VanDerWaalsContact O-CG2 3.23Å; I283-V287 WeakPolarHBondContact O-CG2 3.31Å; I283-V287 PolarHBondContact O-N 3.06Å
284V56.2Low66.3Low123 Ų12397.4 Ų97.475%0.74560%0.595SS**Hα-helixtrans-60.5-40.5173.4-179.40000112.8P282 A288P282-V284 PolarHBondContact O-N 3.49Å; P282-V284 VanDerWaalsContact O-N 3.1Å; V284-A288 VanDerWaalsContact O-CB 3.26Å; V284-A288 WeakPolarHBondContact O-CB 3.4Å; V284-A288 PolarHBondContact O-N 3.13Å
285G58.3Low66Low45 Ų4593.7 Ų93.746%0.46458%0.583SS.*Hα-helixtrans-69.7-37.6179.600000112.9P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.44Å; P282-G285 PolarHBondContact O-N 3.03Å; I283-G285 PolarHBondContact O-N 3.38Å; G285-G289 PolarHBondContact O-N 2.91Å
286I66.9Low65.9Low96 Ų9694.8 Ų94.849%0.49258%0.584SS.*Hα-helixtrans-71-42.9176.7-61.5174.8000110.5I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.94Å; P282-I286 PolarHBondContact O-N 2.92Å; I283-I286 PolarHBondContact O-N 2.98Å; I286-G289 PolarHBondContact O-N 3.27Å; I286-L290 HydrophobicContact CG2-CD1 3.95Å; I286-L290 HydrophobicContact CG2-CG 4.45Å; I286-L290 WeakPolarHBondContact O-CB 3.43Å; I286-L290 VanDerWaalsContact O-CG 3.32Å; I286-L290 WeakPolarHBondContact O-CG 3.24Å; I286-L290 PolarHBondContact O-N 3.21Å
287V69.4Low66.6Low89 Ų8992.9 Ų92.954%0.53958%0.575SS.*Hα-helixtrans-65.8-42.5177.7173.50000111.3I283 L290 A291I283-V287 HydrophobicContact CG2-CG2 4.23Å; I283-V287 WeakPolarHBondContact O-CB 3.5Å; I283-V287 VanDerWaalsContact O-CG2 3.23Å; I283-V287 WeakPolarHBondContact O-CG2 3.31Å; I283-V287 PolarHBondContact O-N 3.06Å; V287-L290 PolarHBondContact O-N 3.02Å; V287-A291 WeakPolarHBondContact O-CB 3.4Å; V287-A291 PolarHBondContact O-N 2.87Å
288A69Low68Low53 Ų5391.9 Ų91.944%0.43856%0.563SS.*Hα-helixtrans-63.5-43.4174.900000111.9V284 A291 V292V284-A288 VanDerWaalsContact O-CB 3.26Å; V284-A288 WeakPolarHBondContact O-CB 3.4Å; V284-A288 PolarHBondContact O-N 3.13Å; A288-A291 PolarHBondContact O-N 3.35Å; A288-V292 WeakPolarHBondContact O-CG2 3.4Å; A288-V292 PolarHBondContact O-N 3.28Å
289G75.4Confident69.4Low35 Ų3589 Ų8936%0.36155%0.553SS.*Hα-helixtrans-61.8-43.2176.800000113.1G285 I286 V292 L293G285-G289 PolarHBondContact O-N 2.91Å; I286-G289 PolarHBondContact O-N 3.27Å; G289-V292 PolarHBondContact O-N 2.89Å; G289-L293 PolarHBondContact O-N 2.74Å
290L81.1Confident71Confident107 Ų10785.7 Ų85.756%0.5654%0.539SS*.Hα-helixtrans-67.7-37.9176.7-72.9171.9000112.4I286 V287 L293 A294I286-L290 HydrophobicContact CG2-CD1 3.95Å; I286-L290 HydrophobicContact CG2-CG 4.45Å; I286-L290 WeakPolarHBondContact O-CB 3.43Å; I286-L290 VanDerWaalsContact O-CG 3.32Å; I286-L290 WeakPolarHBondContact O-CG 3.24Å; I286-L290 PolarHBondContact O-N 3.21Å; V287-L290 PolarHBondContact O-N 3.02Å; L290-L293 PolarHBondContact O-N 2.79Å; L290-A294 WeakPolarHBondContact O-CB 3.41Å; L290-A294 PolarHBondContact O-N 3.21Å
291A77.2Confident72.2Confident52 Ų5282 Ų8243%0.4352%0.521SS..Hα-helixtrans-63.5-42.9175.400000111.7V287 A288 A294 V295V287-A291 WeakPolarHBondContact O-CB 3.4Å; V287-A291 PolarHBondContact O-N 2.87Å; A288-A291 PolarHBondContact O-N 3.35Å; A291-A294 PolarHBondContact O-N 3.35Å; A291-V295 VanDerWaalsContact O-CG2 3.31Å; A291-V295 WeakPolarHBondContact O-CG2 3.47Å; A291-V295 PolarHBondContact O-N 2.86Å
292V80.9Confident73.2Confident88 Ų8880.7 Ų80.753%0.53352%0.518SS..Hα-helixtrans-64.1-44.3176.5173.30000111.2A288 G289 A294 V295 L296A288-V292 WeakPolarHBondContact O-CG2 3.4Å; A288-V292 PolarHBondContact O-N 3.28Å; G289-V292 PolarHBondContact O-N 2.89Å; V292-A294 VanDerWaalsContact C-N 3.34Å; V292-A294 PolarHBondContact O-N 2.95Å; V292-V295 PolarHBondContact O-N 3.45Å; V292-L296 HydrophobicContact CG1-CD1 4.01Å; V292-L296 HydrophobicContact CG1-CG 4.43Å; V292-L296 WeakPolarHBondContact O-CG 3.39Å; V292-L296 PolarHBondContact O-N 3.25Å
293L80.8Confident74.2Confident110 Ų11080.5 Ų80.558%0.57652%0.516SS*.Hα-helixtrans-61.8-40.9176.3-81.8166.1000112.4G289 L290 L296 A297G289-L293 PolarHBondContact O-N 2.74Å; L290-L293 PolarHBondContact O-N 2.79Å; L293-L296 PolarHBondContact O-N 3.45Å; L293-A297 WeakPolarHBondContact O-CB 3.04Å; L293-A297 PolarHBondContact O-N 3.01Å
294A80.8Confident74.8Confident56 Ų5677.1 Ų77.146%0.46351%0.506SS..Hα-helixtrans-63.5-43.5176.100000111.8L290 A291 V292 A297 V298L290-A294 WeakPolarHBondContact O-CB 3.41Å; L290-A294 PolarHBondContact O-N 3.21Å; A291-A294 PolarHBondContact O-N 3.35Å; V292-A294 VanDerWaalsContact C-N 3.34Å; V292-A294 PolarHBondContact O-N 2.95Å; A294-A297 PolarHBondContact O-N 3.47Å; A294-V298 WeakPolarHBondContact O-CG2 3.46Å; A294-V298 PolarHBondContact O-N 3.42Å
295V81.5Confident75.5Confident88 Ų8875.1 Ų75.153%0.53349%0.494SS..Hα-helixtrans-62.8-43.8176.5171.60000111.2A291 V292 A297 V298 L299A291-V295 VanDerWaalsContact O-CG2 3.31Å; A291-V295 WeakPolarHBondContact O-CG2 3.47Å; A291-V295 PolarHBondContact O-N 2.86Å; V292-V295 PolarHBondContact O-N 3.45Å; V295-A297 PolarHBondContact O-N 2.96Å; V295-V298 PolarHBondContact O-N 3.14Å; V295-L299 HydrophobicContact CG1-CD1 3.97Å; V295-L299 WeakPolarHBondContact O-CG 3.4Å; V295-L299 PolarHBondContact O-N 3.21Å
296L81.1Confident76.1Confident103 Ų10376.9 Ų76.954%0.53950%0.496SS..Hα-helixtrans-64.7-38.9177.1-71.4173.7000112.3V292 L293 L299 G300V292-L296 HydrophobicContact CG1-CD1 4.01Å; V292-L296 HydrophobicContact CG1-CG 4.43Å; V292-L296 WeakPolarHBondContact O-CG 3.39Å; V292-L296 PolarHBondContact O-N 3.25Å; L293-L296 PolarHBondContact O-N 3.45Å; L296-L299 PolarHBondContact O-N 3.11Å; L296-G300 PolarHBondContact O-N 2.93Å
297A79Confident76.1Confident65 Ų6578.5 Ų78.554%0.53750%0.503SS..Hα-helixtrans-64.6-42175.800000111.9L293 A294 V295 G300 A301L293-A297 WeakPolarHBondContact O-CB 3.04Å; L293-A297 PolarHBondContact O-N 3.01Å; A294-A297 PolarHBondContact O-N 3.47Å; V295-A297 PolarHBondContact O-N 2.96Å; A297-G300 PolarHBondContact O-N 3.49Å; A297-A301 WeakPolarHBondContact O-CB 3.19Å; A297-A301 PolarHBondContact O-N 3.36Å
298V79.8Confident75.6Confident94 Ų9478.5 Ų78.557%0.5751%0.506SS*.Hα-helixtrans-64.3-45175.6173.10000110.9A294 V295 G300 A301 V302A294-V298 WeakPolarHBondContact O-CG2 3.46Å; A294-V298 PolarHBondContact O-N 3.42Å; V295-V298 PolarHBondContact O-N 3.14Å; V298-G300 PolarHBondContact O-N 3.1Å; V298-A301 PolarHBondContact O-N 3.29Å; V298-V302 HydrophobicContact CG1-CG2 4.45Å; V298-V302 VanDerWaalsContact O-CG2 3.29Å; V298-V302 WeakPolarHBondContact O-CG2 3.28Å; V298-V302 PolarHBondContact O-N 3.02Å
299L78.3Confident75.1Confident100 Ų10085 Ų8552%0.52452%0.519SS..Hα-helixtrans-61.5-43.8175.9-75167.3000111.7V295 L296 A301 V302 V303V295-L299 HydrophobicContact CG1-CD1 3.97Å; V295-L299 WeakPolarHBondContact O-CG 3.4Å; V295-L299 PolarHBondContact O-N 3.21Å; L296-L299 PolarHBondContact O-N 3.11Å; L299-A301 PolarHBondContact O-N 3.2Å; L299-V302 PolarHBondContact O-N 3.2Å; L299-V303 WeakPolarHBondContact O-CG2 3.25Å; L299-V303 PolarHBondContact O-N 3.22Å
300G78.1Confident74.2Confident41 Ų4193.5 Ų93.542%0.42354%0.54SS..Hα-helixtrans-60-43.2175.100000112.7L296 A297 V298 V303 A304L296-G300 PolarHBondContact O-N 2.93Å; A297-G300 PolarHBondContact O-N 3.49Å; V298-G300 PolarHBondContact O-N 3.1Å; G300-V303 PolarHBondContact O-N 2.82Å; G300-A304 WeakPolarHBondContact O-CB 3.48Å; G300-A304 PolarHBondContact O-N 3.01Å
301A75.6Confident72.6Confident55 Ų5597.2 Ų97.246%0.45555%0.552SS.*Hα-helixtrans-64.8-41.517600000112.2A297 V298 L299 A304 V305A297-A301 WeakPolarHBondContact O-CB 3.19Å; A297-A301 PolarHBondContact O-N 3.36Å; V298-A301 PolarHBondContact O-N 3.29Å; L299-A301 PolarHBondContact O-N 3.2Å; A301-A304 PolarHBondContact O-N 2.72Å; A301-V305 VanDerWaalsContact O-CG2 3.31Å; A301-V305 WeakPolarHBondContact O-CG2 3.19Å; A301-V305 PolarHBondContact O-N 3.37Å
302V75.9Confident71.3Confident82 Ų8299.4 Ų99.450%0.49756%0.564SS.*Hα-helixtrans-63.2-44.4176.5171.50000110.9V298 L299 A304 V305 V306V298-V302 HydrophobicContact CG1-CG2 4.45Å; V298-V302 VanDerWaalsContact O-CG2 3.29Å; V298-V302 WeakPolarHBondContact O-CG2 3.28Å; V298-V302 PolarHBondContact O-N 3.02Å; L299-V302 PolarHBondContact O-N 3.2Å; V302-A304 PolarHBondContact O-N 3Å; V302-V305 PolarHBondContact O-N 2.89Å; V302-V306 HydrophobicContact CG1-CG2 4.41Å; V302-V306 WeakPolarHBondContact O-CB 3.37Å; V302-V306 VanDerWaalsContact O-CG2 3.27Å; V302-V306 WeakPolarHBondContact O-CG2 3.21Å; V302-V306 PolarHBondContact O-N 3.13Å
303V74.1Confident69.8Low85 Ų85100.1 Ų100.152%0.51557%0.573SS.*Hα-helixtrans-61.7-44.41761730000111L299 G300 V305 V306 M307L299-V303 WeakPolarHBondContact O-CG2 3.25Å; L299-V303 PolarHBondContact O-N 3.22Å; G300-V303 PolarHBondContact O-N 2.82Å; V303-V305 PolarHBondContact O-N 2.88Å; V303-V306 PolarHBondContact O-N 3.33Å; V303-M307 HydrophobicContact CG1-CG 4.45Å; V303-M307 HydrophobicContact CG1-SD 4.29Å; V303-M307 WeakPolarHBondContact O-CB 3.29Å; V303-M307 WeakPolarHBondContact O-CG 3.18Å; V303-M307 PolarHBondContact O-N 2.87Å
304A71.3Confident67.8Low53 Ų5398.2 Ų98.244%0.43858%0.579SS.*Hα-helixtrans-61-43.9176.900000112.3G300 A301 V302 M307 C308G300-A304 WeakPolarHBondContact O-CB 3.48Å; G300-A304 PolarHBondContact O-N 3.01Å; A301-A304 PolarHBondContact O-N 2.72Å; V302-A304 PolarHBondContact O-N 3Å; A304-M307 PolarHBondContact O-N 3.44Å; A304-C308 WeakPolarHBondContact O-CB 3.37Å; A304-C308 PolarHBondContact O-N 2.94Å
305V71.6Confident65.6Low81 Ų8199.2 Ų99.249%0.49160%0.596SS.*Hα-helixtrans-64.9-40.9176.8170.30000111.6A301 V302 V303 C308 R309A301-V305 VanDerWaalsContact O-CG2 3.31Å; A301-V305 WeakPolarHBondContact O-CG2 3.19Å; A301-V305 PolarHBondContact O-N 3.37Å; V302-V305 PolarHBondContact O-N 2.89Å; V303-V305 PolarHBondContact O-N 2.88Å; V305-C308 PolarHBondContact O-N 2.71Å; V305-R309 WeakPolarHBondContact O-CB 3.49Å; V305-R309 PolarHBondContact O-N 3.29Å
306V69.4Low63.4Low82 Ų82105.4 Ų105.450%0.49762%0.615SS.*Hα-helixtrans-66.6-40.2177.1171.30000111.1V302 V303 R309 R310V302-V306 HydrophobicContact CG1-CG2 4.41Å; V302-V306 WeakPolarHBondContact O-CB 3.37Å; V302-V306 VanDerWaalsContact O-CG2 3.27Å; V302-V306 WeakPolarHBondContact O-CG2 3.21Å; V302-V306 PolarHBondContact O-N 3.13Å; V303-V306 PolarHBondContact O-N 3.33Å; V306-R309 PolarHBondContact O-N 3.28Å; V306-R310 PolarHBondContact O-N 3.24Å
307M68.3Low61.1Low130 Ų130104.4 Ų104.464%0.6463%0.63SS**Hα-helixtrans-67.1-40.3174.7-72.6-169.673.400112.4V303 A304 R309 R310 K311V303-M307 HydrophobicContact CG1-CG 4.45Å; V303-M307 HydrophobicContact CG1-SD 4.29Å; V303-M307 WeakPolarHBondContact O-CB 3.29Å; V303-M307 WeakPolarHBondContact O-CG 3.18Å; V303-M307 PolarHBondContact O-N 2.87Å; A304-M307 PolarHBondContact O-N 3.44Å; M307-R309 VanDerWaalsContact C-N 3.35Å; M307-R310 PolarHBondContact O-N 3.06Å; M307-K311 WeakPolarHBondContact O-CB 3.31Å; M307-K311 PolarHBondContact O-N 3.06Å
308C59.4Low58.8Low89 Ų89105.5 Ų105.560%0.60165%0.648SS**Hα-helixtrans-62.6-40.4172.9-81.50000111.9A304 V305 K311 S312A304-C308 WeakPolarHBondContact O-CB 3.37Å; A304-C308 PolarHBondContact O-N 2.94Å; V305-C308 PolarHBondContact O-N 2.71Å; C308-K311 PolarHBondContact O-N 3.14Å; C308-S312 PolarHBondContact O-N 3.45Å; C308-S312 PolarHBondContact O-OG 3.05Å
309R58.2Low56.7Low189 Ų189106.4 Ų106.471%0.71366%0.658SS**Hα-helixtrans-69.6-31.3175.6-81.5-173.1147.5156.1-3.3113.6V305 V306 M307 K311 S312V305-R309 WeakPolarHBondContact O-CB 3.49Å; V305-R309 PolarHBondContact O-N 3.29Å; V306-R309 PolarHBondContact O-N 3.28Å; M307-R309 VanDerWaalsContact C-N 3.35Å; R309-K311 VanDerWaalsContact C-N 3.32Å; R309-S312 PolarHBondContact O-OG 3.21Å
310R54.9Low54.4Low213 Ų213106.9 Ų106.980%0.80467%0.668SS**Hα-helixtrans-70.9-26.8171.8-116-179.8175.3175.2-1.1112.8V306 M307V306-R310 PolarHBondContact O-N 3.24Å; M307-R310 PolarHBondContact O-N 3.06Å
311K49.1Very low52.3Low186 Ų186109.7 Ų109.781%0.80968%0.682SS**Hα-helixtrans-87.9-15.5-179.2-160.8167.3-179177.80113.8M307 C308 R309M307-K311 WeakPolarHBondContact O-CB 3.31Å; M307-K311 PolarHBondContact O-N 3.06Å; C308-K311 PolarHBondContact O-N 3.14Å; R309-K311 VanDerWaalsContact C-N 3.32Å
312S50.1Low50.4Low97 Ų97116 Ų11668%0.67870%0.702SS**SBendtrans-91.85179.456.90000115.4C308 R309C308-S312 PolarHBondContact O-N 3.45Å; C308-S312 PolarHBondContact O-OG 3.05Å; R309-S312 PolarHBondContact O-OG 3.21Å
313S47.9Very low48.2Very low104 Ų104116.4 Ų116.473%0.72771%0.714SS**SBendtrans-106.547176.869.10000113.2
314G38.8Very low46.1Very low69 Ų69116.5 Ų116.571%0.71172%0.723SS**SBendtrans-167.891.5176.200000115.2
315G35.6Very low44.3Very low78 Ų78119.3 Ų119.380%0.80474%0.74SS**  trans84.190.2136.900000121.2
316K34.2Very low42.6Very low217 Ų217120.2 Ų120.294%0.94375%0.75SS**  44.5114.8115.2-147156.2-176.61720121
317G34.7Very low41.1Very low82 Ų82123.6 Ų123.685%0.84577%0.765SS**  100.7125.512500000119.1
318G30.6Very low39.6Very low89 Ų89123.8 Ų123.892%0.91878%0.779SS**  trans153.6110.2158.200000114.7
319S34.7Very low38.7Very low113 Ų113123.6 Ų123.679%0.7978%0.784SS**  trans-101.4149.7175.8173.10000111.6
320C30.4Very low37.6Very low109 Ų109124 Ų12474%0.73679%0.794SS**  trans134.8113.2134.7-87.50000116.9
321S34.3Very low36.5Very low101 Ų101117.3 Ų117.371%0.70679%0.792SS**  trans45.3119.7132.948.10000124.6
322Q34.6Very low36.1Very low187 Ų187113.6 Ų113.687%0.87479%0.789SS**  68.8119.1115.7-151.6172.510.400121.7
323A29.7Very low35.5Very low90 Ų90116 Ų11674%0.74479%0.794SS**  164.1144.1107.800000115.1
324A31.1Very low34.8Very low87 Ų87119.1 Ų119.172%0.71980%0.797SS**  trans53.5117142.200000121.2
325S32.5Very low34.5Very low112 Ų112120.3 Ų120.378%0.78380%0.795SS**  56.2131.996.685.40000114.5
326S36.1Very low34.4Very low101 Ų101123.3 Ų123.371%0.70679%0.792SS**  cis-177.3150.549.744.90000112.6
327N37.6Very low34.4Very low153 Ų153120 Ų12082%0.81878%0.783SS**  trans37.2138.2137.2-63.5-12.1000124.4
328S38Very low34.3Very low133 Ų133120.7 Ų120.793%0.9378%0.781SS**  trans-141.7138.3134.5-39.50000109.2
329A38.8Very low34.4Very low86 Ų86122.3 Ų122.371%0.71178%0.777SS**  trans-124.7157.9-165.600000112.2
330Q36.9Very low34.4Very low196 Ų196126.5 Ų126.592%0.91678%0.781SS**  trans159.4115.6141.7-95.3167-29.200106.9
331G31.7Very low34.8Very low74 Ų74129.5 Ų129.576%0.76381%0.813SS**  96.4131.756.800000107.4
332S39.8Very low34.8Very low107 Ų107130.9 Ų130.975%0.74882%0.818SS**  cis-161.2160.87.2-47.50000104.7
333D37Very low34.9Very low147 Ų147127.9 Ų127.979%0.78682%0.815SS**  -177.1149.972.8-98.3-26.1000112.1
334E34Very low35.1Very low170 Ų170130.1 Ų130.179%0.79482%0.819SS**  trans57.699.2150-66.6-167.2128.500123.8
335S32.1Very low35.4Very low95 Ų95132.6 Ų132.666%0.66483%0.825SS**  29.5136.698.9120.20000117.5
336L33.8Very low35.6Very low141 Ų141133.9 Ų133.974%0.73883%0.828SS**  cis-172.615322-99.6161.3000109.4
337I33.3Very low35.5Very low148 Ų148136.1 Ų136.176%0.75984%0.836SS**  trans63.5119.3141.8-61.7166.1000120
338A33Very low35.4Very low96 Ų96134.9 Ų134.979%0.79384%0.837SS**  -170114.8110.400000112.2
339C32.3Very low35.2Very low123 Ų123135 Ų13583%0.83183%0.83SS**  trans-79.3140.6157.1-71.90000109.6
340K34.5Very low34.9Very low201 Ų201139.1 Ų139.187%0.87484%0.84SS**  176.9140.2105.8-111.3176.5173.9175.10112
341A40Very low34.7Very low171 Ų171133.9 Ų133.9100%1.41383%0.833SS**  trans30.30140.800000119.2

Retrieved 341 of 341 residues in 1310.7 ms (Link to these results)

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