A0A068B2X8_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A068B2X8, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 181 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S94.1Very high98.2Very high92 Ų9238.1 Ų38.164%0.64320%0.203SC*.  0147.60-54.60000107.9L102 P104S1-L102 WeakPolarHBondContact CA-O 3.44Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.25Å; S1-P104 WeakPolarHBondContact OG-CD 3.46Å
2H97.9Very high98.2Very high48 Ų4836.4 Ų36.422%0.22220%0.197CC..EExtended strand (participates in β ladder)trans-138.9158.3179.9-67.3-76.2000109.9D28 D101 L102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.19Å; H2-D28 IonicContact CE1-OD2 3.54Å; H2-D28 IonicContact CG-OD2 3.82Å; H2-D28 IonicContact ND1-OD1 2.82Å; H2-D28 IonicContact ND1-OD2 3.32Å; H2-D28 PolarHBondContact ND1-OD2 3.2Å; H2-D101 CarbonylContact O-C 3.44Å; H2-D101 WeakPolarHBondContact O-CA 3.09Å; H2-L102 PolarHBondContact N-O 3.33Å; H2-L102 VanDerWaalsContact N-O 3.13Å; H2-L102 PolarHBondContact O-N 2.93Å; H2-L167 HydrophobicContact CB-CD1 4.4Å; H2-L171 HydrophobicContact CB-CD1 3.67Å; H2-L171 HydrophobicContact CB-CD2 4.02Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 VanDerWaalsContact CG-CD2 3.5Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.5Å
3S98.4Very high97.9Very high27 Ų2737.6 Ų37.619%0.18920%0.197CC..EExtended strand (participates in β ladder)trans-136152.7176.966.20000111.9V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.57Å; S3-V27 WeakPolarHBondContact O-CA 3.4Å; S3-D28 PolarHBondContact N-OD1 3.24Å; S3-D28 PolarHBondContact O-N 2.65Å; S3-C100 WeakPolarHBondContact CA-O 3.26Å; S3-D101 VanDerWaalsContact CB-OD1 3.24Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å
4M98.8Very high97.5Very high1 Ų138.8 Ų38.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-123.6125.2167.5-173.1171.161.700108.2Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.28Å; M4-Y6 HydrophobicContact CG-CE2 4.29Å; M4-Y6 HydrophobicContact SD-CE2 4.17Å; M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 VanDerWaalsContact CA-O 3.3Å; M4-Y26 WeakPolarHBondContact CA-O 3.37Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; M4-F32 HydrophobicContact CG-CE1 4.39Å; M4-F32 HydrophobicContact SD-CZ 4.32Å; M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.5Å; M4-C100 PolarHBondContact N-O 2.88Å; M4-C100 PolarHBondContact O-N 3.35Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.22Å; M4-C163 WeakPolarHBondContact CE-SG 3.16Å; M4-W166 HydrophobicContact CE-CB 4.1Å; M4-W166 HydrophobicContact SD-CB 4.38Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.99Å; M4-L167 HydrophobicContact CB-CG 4.25Å; M4-L167 HydrophobicContact CE-CB 4.46Å; M4-L167 HydrophobicContact SD-CB 4.49Å; M4-Y170 HydrophobicContact SD-CD2 3.75Å; M4-Y170 HydrophobicContact SD-CE2 3.61Å
5R98.8Very high97.1Very high50 Ų5042.2 Ų42.219%0.18926%0.256CS..EExtended strand (participates in β ladder)trans-131.1135.6-177.8-59.4-61.1-177.894.96111.2F7 G25 Y26 M97 D101 H112R5-F7 HydrophobicContact CB-CD2 4.43Å; R5-F7 HydrophobicContact CB-CE2 3.61Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.37Å; R5-Y26 PolarHBondContact N-O 3.16Å; R5-Y26 PolarHBondContact O-N 3.3Å; R5-M97 PolarHBondContact NH1-SD 2.81Å; R5-D101 IonicContact CZ-OD1 3.35Å; R5-D101 IonicContact NE-OD1 3.4Å; R5-D101 PolarHBondContact NE-OD1 3.39Å; R5-D101 IonicContact NH2-OD1 3.55Å; R5-D101 PolarHBondContact NH2-OD1 3.41Å; R5-D101 IonicContact NH2-OD2 3.45Å; R5-D101 PolarHBondContact NH2-OD2 2.82Å; R5-H112 VanDerWaalsContact CZ-CD2 3.46Å; R5-H112 PolarHBondContact NH2-CD2 3.26Å; R5-H112 VanDerWaalsContact NH2-CD2 3.32Å; R5-H112 PolarHBondContact NH2-CE1 3.16Å; R5-H112 PolarHBondContact NH2-NE2 2.92Å
6Y98.9Very high96.7Very high11 Ų1153.2 Ų53.24%0.04329%0.291CS..EExtended strand (participates in β ladder)trans-110.6137.6167.6-72.6-88.5000109.8M4 Y8 V24 F32 V33 F66 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.28Å; M4-Y6 HydrophobicContact CG-CE2 4.29Å; M4-Y6 HydrophobicContact SD-CE2 4.17Å; Y6-Y8 HydrophobicContact CD1-CE1 4.4Å; Y6-V24 CarbonylContact C-O 3.57Å; Y6-V24 WeakPolarHBondContact CA-O 3.46Å; Y6-F32 HydrophobicContact CE1-CZ 4.15Å; Y6-F32 HydrophobicContact CE2-CZ 4.5Å; Y6-F32 AromaticContact CZ-CZ 3.79Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.43Å; Y6-V33 HydrophobicContact CE1-CG2 3.93Å; Y6-F66 HydrophobicContact CE1-CZ 4.36Å; Y6-M97 WeakPolarHBondContact O-CA 3.41Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.41Å; Y6-Y98 AromaticContact CD2-CE2 3.92Å; Y6-Y98 HydrophobicContact CD2-CE2 3.92Å; Y6-Y98 AromaticContact CD2-CZ 3.82Å; Y6-Y98 HydrophobicContact CG-CE1 4.2Å; Y6-Y98 HydrophobicContact CG-CE2 4.35Å; Y6-Y98 AromaticContact CG-CZ 3.8Å; Y6-Y98 PolarHBondContact N-O 3.14Å; Y6-Y98 PolarHBondContact O-N 3.2Å; Y6-Y98 VanDerWaalsContact O-N 3.08Å
7F98.9Very high96.4Very high82 Ų8253.6 Ų53.636%0.3631%0.31SS..EExtended strand (participates in β ladder)trans-121.3117.8176.8-57.8-95.9000109.1R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.43Å; R5-F7 HydrophobicContact CB-CE2 3.61Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; F7-A23 WeakPolarHBondContact O-CA 3.48Å; F7-V24 HydrophobicContact CB-CG2 3.8Å; F7-V24 HydrophobicContact CD2-CG2 4.25Å; F7-V24 HydrophobicContact CG-CG2 4.45Å; F7-V24 PolarHBondContact N-O 3.12Å; F7-V24 PolarHBondContact O-N 3.33Å; F7-Y26 AromaticContact CD2-CD2 3.95Å; F7-Y26 HydrophobicContact CD2-CD2 3.95Å; F7-Y26 HydrophobicContact CD2-CE2 4.37Å; F7-Y26 AromaticContact CE2-CD2 3.91Å; F7-Y26 HydrophobicContact CE2-CD2 3.91Å; F7-R96 CarbonylContact C-O 3.59Å; F7-R96 WeakPolarHBondContact CA-O 3.35Å; F7-M97 HydrophobicContact CD1-CB 3.97Å; F7-M97 HydrophobicContact CD1-CG 3.68Å; F7-M97 HydrophobicContact CE1-CB 4.06Å; F7-M97 HydrophobicContact CE1-CG 3.33Å; F7-M97 HydrophobicContact CZ-CG 3.93Å
8Y98.8Very high96.2Very high4 Ų455.6 Ų55.62%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-106.3138.2174.9-60.8-9.3000109.1Y6 F21 I22 A23 F66 Y73 Q95 R96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.4Å; Y8-F21 HydrophobicContact CD1-CZ 4.15Å; Y8-F21 HydrophobicContact CD2-CE2 4.14Å; Y8-F21 AromaticContact CD2-CZ 3.84Å; Y8-F21 HydrophobicContact CD2-CZ 3.84Å; Y8-F21 HydrophobicContact CE2-CZ 4.28Å; Y8-F21 HydrophobicContact CG-CE2 4.06Å; Y8-F21 AromaticContact CG-CZ 3.76Å; Y8-F21 HydrophobicContact CG-CZ 3.76Å; Y8-I22 CarbonylContact C-O 3.5Å; Y8-I22 WeakPolarHBondContact CA-O 3.43Å; Y8-A23 HydrophobicContact CD1-CB 3.43Å; Y8-A23 VanDerWaalsContact CD1-CB 3.43Å; Y8-A23 HydrophobicContact CE1-CB 3.52Å; Y8-A23 HydrophobicContact CG-CB 4.43Å; Y8-F66 HydrophobicContact CE1-CD1 4.2Å; Y8-F66 AromaticContact CE1-CE1 3.62Å; Y8-F66 HydrophobicContact CE1-CE1 3.62Å; Y8-F66 AromaticContact CZ-CE1 3.75Å; Y8-F66 VanDerWaalsContact OH-CE1 3.3Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.28Å; Y8-Y73 AromaticContact CD2-CE2 3.75Å; Y8-Y73 HydrophobicContact CD2-CE2 3.75Å; Y8-Y73 AromaticContact CD2-CZ 3.88Å; Y8-Y73 HydrophobicContact CE2-CE2 4.47Å; Y8-Q95 CarbonylContact O-C 3.55Å; Y8-Q95 VanDerWaalsContact O-CA 3.25Å; Y8-Q95 WeakPolarHBondContact O-CA 3.42Å; Y8-R96 PolarHBondContact N-O 2.92Å; Y8-R96 PolarHBondContact O-N 3.27Å; Y8-Y98 HydrophobicContact CD1-CE1 4.48Å; Y8-Y98 HydrophobicContact CD2-CE1 4.28Å; Y8-Y98 AromaticContact CE1-CE1 3.91Å; Y8-Y98 HydrophobicContact CE1-CE1 3.91Å; Y8-Y98 AromaticContact CE2-CE1 3.71Å; Y8-Y98 HydrophobicContact CE2-CE1 3.71Å; Y8-Y98 AromaticContact CZ-CE1 3.51Å; Y8-Y98 AromaticContact CZ-CZ 3.94Å; Y8-Y98 PolarHBondContact OH-OH 2.83Å
9T98.8Very high96.2Very high42 Ų4253.8 Ų53.826%0.25831%0.307SS..EExtended strand (participates in β ladder)trans-132.9122.7172.7-60.60000108.1F21 I22 I93 Q95T9-F21 WeakPolarHBondContact O-CA 3.2Å; T9-I22 PolarHBondContact N-O 2.83Å; T9-I22 PolarHBondContact O-N 3.13Å; T9-I93 HydrophobicContact CG2-CG2 3.89Å; T9-Q95 HydrophobicContact CG2-CG 4.23Å
10A98.6Very high96.3Very high1 Ų154.8 Ų54.81%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-117.8128.2170.200000110.4R20 F21 Y73 L77 I93 I94A10-R20 CarbonylContact C-O 3.49Å; A10-R20 WeakPolarHBondContact CA-O 3.17Å; A10-F21 HydrophobicContact CB-CD2 4.1Å; A10-Y73 HydrophobicContact CB-CD1 3.91Å; A10-Y73 HydrophobicContact CB-CG 4.05Å; A10-L77 HydrophobicContact CB-CD1 4.05Å; A10-I93 WeakPolarHBondContact O-CA 3.23Å; A10-I94 HydrophobicContact CB-CG2 3.7Å; A10-I94 PolarHBondContact N-O 2.85Å; A10-I94 PolarHBondContact O-N 2.84Å
11M98.4Very high96.4Very high61 Ų6152.2 Ų52.230%0.329%0.291SS..EExtended strand (participates in β ladder)trans-125.3117.5-174.2177.6174.760.600110.4R13 P19 R20 H92 I93M11-R13 HydrophobicContact CE-CG 4.36Å; M11-R13 HydrophobicContact CG-CG 4.35Å; M11-P19 CarbonylContact O-C 3.54Å; M11-P19 WeakPolarHBondContact O-CA 3.45Å; M11-P19 WeakPolarHBondContact O-CB 3.5Å; M11-R20 PolarHBondContact N-O 3.19Å; M11-R20 PolarHBondContact O-N 3.08Å; M11-H92 CarbonylContact C-O 3.58Å; M11-H92 WeakPolarHBondContact CA-O 3.18Å; M11-I93 HydrophobicContact CB-CG1 4.11Å; M11-I93 HydrophobicContact CG-CD1 4.39Å; M11-I93 HydrophobicContact CG-CG1 3.87Å; M11-I93 HydrophobicContact SD-CD1 4.26Å; M11-I93 HydrophobicContact SD-CG1 4.38Å
12S97.6Very high96.7Very high18 Ų1849.6 Ų49.613%0.12627%0.27CS..  trans-71.2144.5172.672.20000110.6S91 H92S12-S91 PolarHBondContact O-OG 3.27Å; S12-H92 PolarHBondContact N-O 3.44Å; S12-H92 PolarHBondContact OG-N 2.89Å; S12-H92 PolarHBondContact OG-O 3.43Å
13R95.2Very high96.7Very high52 Ų5247.3 Ų47.320%0.19626%0.259CS..  trans-137.773.2-176.7-62.5177.5-76.7-171.3-2.8110.4M11 G15 R16 E18 R20 D38M11-R13 HydrophobicContact CE-CG 4.36Å; M11-R13 HydrophobicContact CG-CG 4.35Å; R13-G15 PolarHBondContact O-N 3.31Å; R13-R16 HydrophobicContact CB-CB 4.11Å; R13-R16 PolarHBondContact O-N 3.01Å; R13-E18 PolarHBondContact NE-O 2.73Å; R13-E18 PolarHBondContact NH2-O 2.78Å; R13-E18 VanDerWaalsContact NH2-O 3.13Å; R13-R20 VanDerWaalsContact CZ-CB 3.45Å; R13-R20 VanDerWaalsContact NH2-CA 3.27Å; R13-R20 VanDerWaalsContact NH2-CB 3.25Å; R13-R20 VanDerWaalsContact NH2-N 3.2Å; R13-D38 IonicContact CZ-OD1 3.67Å; R13-D38 IonicContact CZ-OD2 3.76Å; R13-D38 IonicContact NH1-OD1 3.83Å; R13-D38 IonicContact NH1-OD2 3.05Å; R13-D38 PolarHBondContact NH1-OD2 3.32Å; R13-D38 IonicContact NH2-OD1 2.79Å; R13-D38 PolarHBondContact NH2-OD1 3.4Å; R13-D38 IonicContact NH2-OD2 3.56Å; R13-D38 PolarHBondContact NH2-OD2 2.77Å
14P91.6Very high96.7Very high54 Ų5447.1 Ų47.135%0.35126%0.257SS..THydrogen-bonded Turntrans-50.4132.1-178-25.634.1000111.9R16 E88 G90P14-R16 PolarHBondContact O-N 2.94Å; P14-E88 WeakPolarHBondContact CB-O 3.37Å; P14-E88 WeakPolarHBondContact CG-O 3.49Å; P14-G90 WeakPolarHBondContact CG-O 3.43Å
15G91.3Very high96.7Very high90 Ų9047 Ų4793%0.92826%0.256SS*.THydrogen-bonded Turntrans73.41.7-177.800000115.9R13R13-G15 PolarHBondContact O-N 3.31Å
16R91.7Very high96.7Very high218 Ų21848 Ų4882%0.82326%0.26SS*.SBendtrans-125.623.3179.6-57.5-175.2-179.4-179.30.4113.4R13 P14R13-R16 HydrophobicContact CB-CB 4.11Å; R13-R16 PolarHBondContact O-N 3.01Å; P14-R16 PolarHBondContact O-N 2.94Å
17G90.8Very high96.7Very high60 Ų6047.4 Ų47.462%0.61926%0.258SS*.  trans94.6-158177.700000114.1
18E94Very high96.7Very high89 Ų8945.4 Ų45.442%0.41625%0.251SS..SBendtrans-71.8156.3-176.3-69.6-67166.600112.6R13 R20 R74R13-E18 PolarHBondContact NE-O 2.73Å; R13-E18 PolarHBondContact NH2-O 2.78Å; R13-E18 VanDerWaalsContact NH2-O 3.13Å; E18-R20 PolarHBondContact O-N 2.93Å; E18-R74 VanDerWaalsContact CD-CZ 3.43Å; E18-R74 IonicContact OE1-NH1 2.82Å; E18-R74 WeakPolarHBondContact OE2-CD 3.32Å; E18-R74 IonicContact OE2-CZ 2.92Å; E18-R74 IonicContact OE2-NE 2.75Å; E18-R74 PolarHBondContact OE2-NE 3.18Å; E18-R74 IonicContact OE2-NH1 3.21Å; E18-R74 IonicContact OE2-NH2 3.91Å
19P96.2Very high96.5Very high22 Ų2252.8 Ų52.814%0.14329%0.291CS..PPolyproline II helixtrans-54.4137.9174.4-2635.2000112.3M11 R74 L77M11-P19 CarbonylContact O-C 3.54Å; M11-P19 WeakPolarHBondContact O-CA 3.45Å; M11-P19 WeakPolarHBondContact O-CB 3.5Å; P19-R74 HydrophobicContact CG-CB 4.39Å; P19-R74 HydrophobicContact CG-CG 4.14Å; P19-L77 HydrophobicContact CB-CD1 3.62Å; P19-L77 HydrophobicContact CG-CD1 3.86Å
20R98.1Very high96.5Very high73 Ų7353.3 Ų53.328%0.27529%0.294SS..EExtended strand (participates in β ladder)trans-74.1137.9170.9-161.5170.1179.2175.2-3.7108.4A10 M11 R13 E18 I22 D36 D38A10-R20 CarbonylContact C-O 3.49Å; A10-R20 WeakPolarHBondContact CA-O 3.17Å; M11-R20 PolarHBondContact N-O 3.19Å; M11-R20 PolarHBondContact O-N 3.08Å; R13-R20 VanDerWaalsContact CZ-CB 3.45Å; R13-R20 VanDerWaalsContact NH2-CA 3.27Å; R13-R20 VanDerWaalsContact NH2-CB 3.25Å; R13-R20 VanDerWaalsContact NH2-N 3.2Å; E18-R20 PolarHBondContact O-N 2.93Å; R20-I22 HydrophobicContact CG-CG1 4.21Å; R20-D36 IonicContact CZ-OD1 2.66Å; R20-D36 IonicContact CZ-OD2 3.44Å; R20-D36 IonicContact NE-OD1 3.47Å; R20-D36 PolarHBondContact NE-OD1 3.39Å; R20-D36 IonicContact NE-OD2 3.29Å; R20-D36 IonicContact NH2-OD1 2.92Å; R20-D36 PolarHBondContact NH2-OD1 3.26Å; R20-D36 IonicContact NH2-OD2 3.35Å; R20-D36 PolarHBondContact NH2-OD2 2.87Å; R20-D38 VanDerWaalsContact CD-OD2 3.23Å; R20-D38 WeakPolarHBondContact CD-OD2 3.24Å; R20-D38 HydrophobicContact CG-CB 4.43Å; R20-D38 IonicContact CZ-OD2 3.67Å; R20-D38 IonicContact NE-OD2 2.72Å; R20-D38 PolarHBondContact NE-OD2 3.06Å
21F98.8Very high96.5Very high1 Ų155.7 Ų55.70%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-120126168.3180-98000109.8Y8 T9 A10 A23 F35 S37 F66 N69 T70 Y73Y8-F21 HydrophobicContact CD1-CZ 4.15Å; Y8-F21 HydrophobicContact CD2-CE2 4.14Å; Y8-F21 AromaticContact CD2-CZ 3.84Å; Y8-F21 HydrophobicContact CD2-CZ 3.84Å; Y8-F21 HydrophobicContact CE2-CZ 4.28Å; Y8-F21 HydrophobicContact CG-CE2 4.06Å; Y8-F21 AromaticContact CG-CZ 3.76Å; Y8-F21 HydrophobicContact CG-CZ 3.76Å; T9-F21 WeakPolarHBondContact O-CA 3.2Å; A10-F21 HydrophobicContact CB-CD2 4.1Å; F21-A23 HydrophobicContact CE1-CB 3.84Å; F21-A23 HydrophobicContact CZ-CB 4.11Å; F21-F35 AromaticContact CD1-CD1 3.87Å; F21-F35 HydrophobicContact CD1-CD1 3.87Å; F21-F35 AromaticContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CE1-CD1 4.2Å; F21-S37 PolarHBondContact N-OG 3.47Å; F21-S37 PolarHBondContact O-N 3.39Å; F21-S37 PolarHBondContact O-OG 2.88Å; F21-F66 HydrophobicContact CE1-CB 4.2Å; F21-F66 HydrophobicContact CE1-CD1 4.18Å; F21-N69 HydrophobicContact CE1-CB 4.12Å; F21-N69 HydrophobicContact CE2-CB 4.18Å; F21-N69 HydrophobicContact CZ-CB 3.69Å; F21-T70 HydrophobicContact CB-CG2 3.93Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.05Å; F21-Y73 HydrophobicContact CD2-CD2 4.08Å; F21-Y73 HydrophobicContact CD2-CG 4.09Å; F21-Y73 AromaticContact CE2-CD2 3.52Å; F21-Y73 HydrophobicContact CE2-CD2 3.52Å; F21-Y73 AromaticContact CE2-CE2 3.88Å; F21-Y73 HydrophobicContact CE2-CE2 3.88Å; F21-Y73 AromaticContact CE2-CG 3.91Å; F21-Y73 HydrophobicContact CE2-CG 3.91Å; F21-Y73 HydrophobicContact CZ-CD2 4.4Å
22I98.8Very high96.5Very high38 Ų3852.8 Ų52.820%0.19529%0.291CS..EExtended strand (participates in β ladder)trans-121.8133.5174-58.9172.6000107.7Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.5Å; Y8-I22 WeakPolarHBondContact CA-O 3.43Å; T9-I22 PolarHBondContact N-O 2.83Å; T9-I22 PolarHBondContact O-N 3.13Å; R20-I22 HydrophobicContact CG-CG1 4.21Å; I22-V24 HydrophobicContact CG2-CG1 4.29Å; I22-F35 WeakPolarHBondContact CA-O 3.43Å
23A98.8Very high96.6Very high0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-124.1136.3168.800000109.8F7 Y8 F21 R34 F35 F66F7-A23 WeakPolarHBondContact O-CA 3.48Å; Y8-A23 HydrophobicContact CD1-CB 3.43Å; Y8-A23 VanDerWaalsContact CD1-CB 3.43Å; Y8-A23 HydrophobicContact CE1-CB 3.52Å; Y8-A23 HydrophobicContact CG-CB 4.43Å; F21-A23 HydrophobicContact CE1-CB 3.84Å; F21-A23 HydrophobicContact CZ-CB 4.11Å; A23-R34 CarbonylContact O-C 3.59Å; A23-R34 WeakPolarHBondContact O-CA 3.24Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 3.29Å; A23-F35 PolarHBondContact O-N 3.12Å; A23-F66 HydrophobicContact CB-CD1 3.58Å; A23-F66 HydrophobicContact CB-CE1 3.47Å; A23-F66 VanDerWaalsContact CB-CE1 3.47Å; A23-F66 HydrophobicContact CB-CG 4.23Å; A23-F66 HydrophobicContact CB-CZ 4.04Å
24V98.9Very high96.7Very high22 Ų2252.7 Ų52.713%0.13329%0.288CS..EExtended strand (participates in β ladder)trans-132145.3171.9-630000109.7Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.57Å; Y6-V24 WeakPolarHBondContact CA-O 3.46Å; F7-V24 HydrophobicContact CB-CG2 3.8Å; F7-V24 HydrophobicContact CD2-CG2 4.25Å; F7-V24 HydrophobicContact CG-CG2 4.45Å; F7-V24 PolarHBondContact N-O 3.12Å; F7-V24 PolarHBondContact O-N 3.33Å; I22-V24 HydrophobicContact CG2-CG1 4.29Å; V24-Y26 HydrophobicContact CB-CE2 4.23Å; V24-Y26 HydrophobicContact CG2-CD2 4.4Å; V24-Y26 HydrophobicContact CG2-CE2 3.85Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.3Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; V24-R34 HydrophobicContact CG1-CB 4.42Å; V24-R34 HydrophobicContact CG1-CG 4.14Å
25G98.8Very high97.1Very high0 Ų050.1 Ų50.10%027%0.271CS..EExtended strand (participates in β ladder)trans-120.7140.1177.200000110.8R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.37Å; G25-Q31 WeakPolarHBondContact O-CA 3.37Å; G25-F32 WeakPolarHBondContact O-CD1 3.06Å; G25-F32 PolarHBondContact O-N 2.66Å; G25-V33 PolarHBondContact N-O 3.43Å; G25-V33 VanDerWaalsContact N-O 3.09Å; G25-V33 PolarHBondContact O-N 2.91Å
26Y98.8Very high97.4Very high69 Ų6946.8 Ų46.827%0.27123%0.232SC..EExtended strand (participates in β ladder)trans-125.4140.5178.4-76.5-100.4000110.5M4 R5 F7 V24 T30 Q31 F32M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 VanDerWaalsContact CA-O 3.3Å; M4-Y26 WeakPolarHBondContact CA-O 3.37Å; R5-Y26 PolarHBondContact N-O 3.16Å; R5-Y26 PolarHBondContact O-N 3.3Å; F7-Y26 AromaticContact CD2-CD2 3.95Å; F7-Y26 HydrophobicContact CD2-CD2 3.95Å; F7-Y26 HydrophobicContact CD2-CE2 4.37Å; F7-Y26 AromaticContact CE2-CD2 3.91Å; F7-Y26 HydrophobicContact CE2-CD2 3.91Å; V24-Y26 HydrophobicContact CB-CE2 4.23Å; V24-Y26 HydrophobicContact CG2-CD2 4.4Å; V24-Y26 HydrophobicContact CG2-CE2 3.85Å; Y26-T30 WeakPolarHBondContact CA-O 3.29Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 HydrophobicContact CD2-CG 4.45Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.15Å; Y26-Q31 HydrophobicContact CE2-CG 3.97Å; Y26-F32 VanDerWaalsContact N-CE1 3.35Å
27V98.6Very high97.7Very high0 Ų037.7 Ų37.70%020%0.202CC..EExtended strand (participates in β ladder)trans-111.2119.1157.5176.40000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.57Å; S3-V27 WeakPolarHBondContact O-CA 3.4Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; V27-D29 PolarHBondContact O-N 3.26Å; V27-T30 PolarHBondContact N-O 2.81Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 3.1Å; V27-F32 HydrophobicContact CG2-CD1 3.94Å; V27-F32 HydrophobicContact CG2-CE1 3.98Å; V27-W50 HydrophobicContact CB-CH2 4.34Å; V27-W50 HydrophobicContact CB-CZ2 4.38Å; V27-W50 HydrophobicContact CG2-CH2 3.86Å; V27-W50 HydrophobicContact CG2-CZ2 4.38Å; V27-L167 HydrophobicContact CG1-CD1 3.69Å; V27-L167 HydrophobicContact CG2-CD1 4.35Å; V27-Y170 HydrophobicContact CG2-CD2 3.85Å; V27-Y170 HydrophobicContact CG2-CG 4.35Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; V27-L178 HydrophobicContact CB-CD1 4.36Å; V27-L178 HydrophobicContact CB-CD2 4.48Å; V27-L178 HydrophobicContact CG1-CD1 3.86Å; V27-L178 HydrophobicContact CG1-CD2 4.31Å
28D97.3Very high98.1Very high39 Ų3938.3 Ų38.321%0.20919%0.191CC..THydrogen-bonded Turntrans48.6-126.3-164.6-55-39.6000110.2H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.19Å; H2-D28 IonicContact CE1-OD2 3.54Å; H2-D28 IonicContact CG-OD2 3.82Å; H2-D28 IonicContact ND1-OD1 2.82Å; H2-D28 IonicContact ND1-OD2 3.32Å; H2-D28 PolarHBondContact ND1-OD2 3.2Å; S3-D28 PolarHBondContact N-OD1 3.24Å; S3-D28 PolarHBondContact O-N 2.65Å; D28-T30 VanDerWaalsContact C-N 3.33Å
29D96.4Very high98.2Very high159 Ų15935.9 Ų35.985%0.8519%0.186SC*.THydrogen-bonded Turntrans-91.88.3178.5-60-52000113.2V27V27-D29 PolarHBondContact O-N 3.26Å
30T98.1Very high98.2Very high53 Ų5340.4 Ų40.433%0.32523%0.225SC..EExtended strand (participates in β ladder)trans-101113.5-177.2-580000111.5Y26 V27 D28 F32 A48 L178Y26-T30 WeakPolarHBondContact CA-O 3.29Å; V27-T30 PolarHBondContact N-O 2.81Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 3.1Å; D28-T30 VanDerWaalsContact C-N 3.33Å; T30-F32 PolarHBondContact O-N 3.38Å; T30-A48 HydrophobicContact CG2-CB 4.3Å; T30-L178 HydrophobicContact CG2-CD2 4.19Å
31Q98.5Very high98.2Very high52 Ų5240.8 Ų40.824%0.24324%0.239CC..EExtended strand (participates in β ladder)trans-67.2127172.1-167.6-177.7-5.900110.3V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.3Å; G25-Q31 WeakPolarHBondContact O-CA 3.37Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 HydrophobicContact CD2-CG 4.45Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.15Å; Y26-Q31 HydrophobicContact CE2-CG 3.97Å; Q31-V33 PolarHBondContact NE2-O 3.15Å; Q31-V33 VanDerWaalsContact NE2-O 3.16Å; Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.39Å; Q31-R47 CarbonylContact O-C 3.48Å
32F98.6Very high98.1Very high0 Ų042.5 Ų42.50%025%0.25CS..EExtended strand (participates in β ladder)trans-117.4-23-178.875.6-84.3000114.3M4 Y6 G25 Y26 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.39Å; M4-F32 HydrophobicContact SD-CZ 4.32Å; Y6-F32 HydrophobicContact CE1-CZ 4.15Å; Y6-F32 HydrophobicContact CE2-CZ 4.5Å; Y6-F32 AromaticContact CZ-CZ 3.79Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.43Å; G25-F32 WeakPolarHBondContact O-CD1 3.06Å; G25-F32 PolarHBondContact O-N 2.66Å; Y26-F32 VanDerWaalsContact N-CE1 3.35Å; V27-F32 HydrophobicContact CG2-CD1 3.94Å; V27-F32 HydrophobicContact CG2-CE1 3.98Å; T30-F32 PolarHBondContact O-N 3.38Å; F32-R47 PolarHBondContact O-N 2.78Å; F32-A48 HydrophobicContact CB-CB 4.25Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 4.04Å; F32-W50 HydrophobicContact CD1-CH2 4.12Å; F32-W50 AromaticContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CZ3 4.18Å; F32-W50 AromaticContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CH2 3.48Å; F32-W50 VanDerWaalsContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CZ2 4.12Å; F32-W50 HydrophobicContact CG-CZ3 4.26Å; F32-I51 HydrophobicContact CD2-CB 4.49Å; F32-I51 HydrophobicContact CD2-CD1 3.9Å; F32-I51 HydrophobicContact CD2-CG1 4.01Å; F32-I51 HydrophobicContact CE2-CD1 4.29Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.29Å; F32-Y170 HydrophobicContact CD2-CE2 4.44Å; F32-Y170 HydrophobicContact CE2-CD2 4.2Å; F32-Y170 AromaticContact CE2-CE2 3.61Å; F32-Y170 HydrophobicContact CE2-CE2 3.61Å; F32-Y170 AromaticContact CE2-CZ 3.97Å; F32-Y170 HydrophobicContact CZ-CD2 4.22Å; F32-Y170 AromaticContact CZ-CE2 3.74Å; F32-Y170 HydrophobicContact CZ-CE2 3.74Å
33V98.6Very high98.1Very high2 Ų247.8 Ų47.81%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-139.4153.8176.3-72.60000112.9Y6 V24 G25 Q31 T44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.93Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; G25-V33 PolarHBondContact N-O 3.43Å; G25-V33 VanDerWaalsContact N-O 3.09Å; G25-V33 PolarHBondContact O-N 2.91Å; Q31-V33 PolarHBondContact NE2-O 3.15Å; Q31-V33 VanDerWaalsContact NE2-O 3.16Å; V33-T44 HydrophobicContact CB-CG2 4.05Å; V33-T44 HydrophobicContact CG1-CG2 4.06Å; V33-E45 WeakPolarHBondContact CA-O 3.34Å; V33-I51 HydrophobicContact CG1-CG1 4.41Å; V33-W59 HydrophobicContact CG1-CH2 4.16Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å
34R98.7Very high98.1Very high65 Ų6548.1 Ų48.125%0.24527%0.27CS..EExtended strand (participates in β ladder)trans-141.2143.7170-177.6176.2173.990.75.9110.8A23 V24 D36 T44 E45 R47A23-R34 CarbonylContact O-C 3.59Å; A23-R34 WeakPolarHBondContact O-CA 3.24Å; V24-R34 HydrophobicContact CG1-CB 4.42Å; V24-R34 HydrophobicContact CG1-CG 4.14Å; R34-D36 IonicContact CZ-OD2 3.71Å; R34-D36 IonicContact NH2-OD2 3.68Å; R34-D36 PolarHBondContact NH2-OD2 3.47Å; R34-T44 WeakPolarHBondContact O-CA 3.46Å; R34-E45 PolarHBondContact N-O 3.3Å; R34-E45 PolarHBondContact O-N 2.92Å; R34-R47 HydrophobicContact CB-CG 3.93Å
35F98.8Very high98Very high1 Ų149.9 Ų49.90%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-131.1142.3164176.1-85000109.2F21 I22 A23 P42 F66 K67F21-F35 AromaticContact CD1-CD1 3.87Å; F21-F35 HydrophobicContact CD1-CD1 3.87Å; F21-F35 AromaticContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CE1-CD1 4.2Å; I22-F35 WeakPolarHBondContact CA-O 3.43Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 3.29Å; A23-F35 PolarHBondContact O-N 3.12Å; F35-P42 HydrophobicContact CE2-CB 3.99Å; F35-P42 HydrophobicContact CZ-CB 3.82Å; F35-F66 HydrophobicContact CB-CB 4.06Å; F35-F66 HydrophobicContact CB-CD2 3.48Å; F35-F66 VanDerWaalsContact CB-CD2 3.48Å; F35-F66 HydrophobicContact CB-CE2 4.07Å; F35-F66 HydrophobicContact CB-CG 3.84Å; F35-F66 HydrophobicContact CD1-CB 3.66Å; F35-F66 HydrophobicContact CD1-CG 4.31Å; F35-F66 HydrophobicContact CD2-CB 3.61Å; F35-F66 AromaticContact CD2-CD2 3.95Å; F35-F66 HydrophobicContact CD2-CD2 3.95Å; F35-F66 HydrophobicContact CD2-CG 4.19Å; F35-F66 HydrophobicContact CE1-CB 3.94Å; F35-F66 HydrophobicContact CE2-CB 3.91Å; F35-F66 HydrophobicContact CG-CB 3.49Å; F35-F66 VanDerWaalsContact CG-CB 3.49Å; F35-F66 AromaticContact CG-CD2 3.81Å; F35-F66 HydrophobicContact CG-CD2 3.81Å; F35-F66 AromaticContact CG-CG 3.86Å; F35-F66 HydrophobicContact CG-CG 3.86Å; F35-F66 HydrophobicContact CZ-CB 4.06Å; F35-K67 HydrophobicContact CE2-CG 4.3Å; F35-K67 HydrophobicContact CZ-CG 4.14Å
36D98.7Very high98Very high20 Ų2052.3 Ų52.311%0.10729%0.292CS..EExtended strand (participates in β ladder)trans-139.4118.7177.4-159.8-31.8000109.9R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 2.66Å; R20-D36 IonicContact CZ-OD2 3.44Å; R20-D36 IonicContact NE-OD1 3.47Å; R20-D36 PolarHBondContact NE-OD1 3.39Å; R20-D36 IonicContact NE-OD2 3.29Å; R20-D36 IonicContact NH2-OD1 2.92Å; R20-D36 PolarHBondContact NH2-OD1 3.26Å; R20-D36 IonicContact NH2-OD2 3.35Å; R20-D36 PolarHBondContact NH2-OD2 2.87Å; R34-D36 IonicContact CZ-OD2 3.71Å; R34-D36 IonicContact NH2-OD2 3.68Å; R34-D36 PolarHBondContact NH2-OD2 3.47Å; D36-D38 PolarHBondContact O-N 3.32Å; D36-D38 PolarHBondContact OD1-N 2.99Å; D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.45Å; D36-A39 PolarHBondContact O-N 2.72Å
37S98.3Very high98Very high27 Ų2754.8 Ų54.819%0.18930%0.301CS..THydrogen-bonded Turntrans-66-20.3-178.968.60000113.5F21 P42F21-S37 PolarHBondContact N-OG 3.47Å; F21-S37 PolarHBondContact O-N 3.39Å; F21-S37 PolarHBondContact O-OG 2.88Å; S37-P42 WeakPolarHBondContact O-CG 3.25Å
38D97.4Very high97.9Very high73 Ų7355.1 Ų55.139%0.3930%0.304SS..THydrogen-bonded Turntrans-89.1-3.9179.9-76.37.1000113.1R13 R20 D36R13-D38 IonicContact CZ-OD1 3.67Å; R13-D38 IonicContact CZ-OD2 3.76Å; R13-D38 IonicContact NH1-OD1 3.83Å; R13-D38 IonicContact NH1-OD2 3.05Å; R13-D38 PolarHBondContact NH1-OD2 3.32Å; R13-D38 IonicContact NH2-OD1 2.79Å; R13-D38 PolarHBondContact NH2-OD1 3.4Å; R13-D38 IonicContact NH2-OD2 3.56Å; R13-D38 PolarHBondContact NH2-OD2 2.77Å; R20-D38 VanDerWaalsContact CD-OD2 3.23Å; R20-D38 WeakPolarHBondContact CD-OD2 3.24Å; R20-D38 HydrophobicContact CG-CB 4.43Å; R20-D38 IonicContact CZ-OD2 3.67Å; R20-D38 IonicContact NE-OD2 2.72Å; R20-D38 PolarHBondContact NE-OD2 3.06Å; D36-D38 PolarHBondContact O-N 3.32Å; D36-D38 PolarHBondContact OD1-N 2.99Å
39A97.2Very high97.9Very high37 Ų3758.2 Ų58.231%0.30633%0.326SS..SBendtrans-61.6149.1175.300000110.6D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.45Å; D36-A39 PolarHBondContact O-N 2.72Å; A39-S41 PolarHBondContact O-N 2.9Å; A39-S41 VanDerWaalsContact O-N 3.15Å; A39-P42 WeakPolarHBondContact O-CD 3.35Å; A39-P42 VanDerWaalsContact O-CG 3.26Å; A39-P42 WeakPolarHBondContact O-CG 3.39Å
40A96.8Very high97.9Very high117 Ų11751.4 Ų51.497%0.96729%0.288SS*.SBendtrans-58.4-30.7178.200000112.7
41S96.7Very high97.9Very high82 Ų8248.9 Ų48.957%0.57327%0.273SS*.SBendtrans-132.789.9170.1-174.70000108.8A39 R43A39-S41 PolarHBondContact O-N 2.9Å; A39-S41 VanDerWaalsContact O-N 3.15Å; S41-R43 PolarHBondContact O-N 3.25Å
42P97.3Very high97.8Very high37 Ų3752.4 Ų52.424%0.2429%0.289CS..  trans-63.7110.2-175.9-24.635.7000111.9F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.99Å; F35-P42 HydrophobicContact CZ-CB 3.82Å; S37-P42 WeakPolarHBondContact O-CG 3.25Å; A39-P42 WeakPolarHBondContact O-CD 3.35Å; A39-P42 VanDerWaalsContact O-CG 3.26Å; A39-P42 WeakPolarHBondContact O-CG 3.39Å; P42-K67 VanDerWaalsContact O-CE 3.25Å; P42-K67 WeakPolarHBondContact O-CE 3.37Å
43R98.1Very high97.6Very high148 Ų14858 Ų5856%0.55832%0.316SS*.  trans-144.4161.4176.563.9-177.7170178.6-2.4110.8S41 E45 T63S41-R43 PolarHBondContact O-N 3.25Å; R43-E45 HydrophobicContact CG-CG 4.18Å; R43-T63 HydrophobicContact CB-CG2 4.18Å
44T98.4Very high97.6Very high7 Ų758.5 Ų58.54%0.04332%0.318CS..  trans-73.1132.4170-46.40000108.7V33 R34 W59 N62 T63 F66V33-T44 HydrophobicContact CB-CG2 4.05Å; V33-T44 HydrophobicContact CG1-CG2 4.06Å; R34-T44 WeakPolarHBondContact O-CA 3.46Å; T44-W59 HydrophobicContact CG2-CE3 4.06Å; T44-W59 HydrophobicContact CG2-CZ3 3.91Å; T44-N62 HydrophobicContact CG2-CB 4.29Å; T44-N62 VanDerWaalsContact OG1-C 3.31Å; T44-T63 PolarHBondContact N-OG1 3.15Å; T44-T63 WeakPolarHBondContact OG1-CA 3.3Å; T44-T63 PolarHBondContact OG1-N 2.96Å; T44-T63 VanDerWaalsContact OG1-N 3.1Å; T44-T63 PolarHBondContact OG1-OG1 2.68Å; T44-F66 HydrophobicContact CG2-CD2 4.27Å; T44-F66 HydrophobicContact CG2-CE2 3.7Å; T44-F66 VanDerWaalsContact OG1-CD2 3.23Å; T44-F66 WeakPolarHBondContact OG1-CD2 3.24Å; T44-F66 WeakPolarHBondContact OG1-CE2 3.38Å
45E98.2Very high97.5Very high60 Ų6056.9 Ų56.928%0.2832%0.321SS..EExtended strand (participates in β ladder)trans-120.3138.8-177.3-62.5177.6152.400110.5V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.34Å; R34-E45 PolarHBondContact N-O 3.3Å; R34-E45 PolarHBondContact O-N 2.92Å; R43-E45 HydrophobicContact CG-CG 4.18Å; E45-R47 IonicContact OE2-CZ 3.66Å; E45-R47 IonicContact OE2-NH2 2.73Å; E45-R47 PolarHBondContact OE2-NH2 3.23Å
46P98.3Very high97.5Very high50 Ų5060.7 Ų60.733%0.32535%0.346SS..EExtended strand (participates in β ladder)trans-65.7146.2172.528.8-34.4000110.6I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.61Å; P46-E52 HydrophobicContact CB-CG 3.79Å; P46-E52 HydrophobicContact CG-CG 4.05Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.45Å; P46-W59 HydrophobicContact CG-CH2 4.27Å; P46-W59 HydrophobicContact CG-CZ2 4.47Å
47R98.3Very high97.4Very high122 Ų12266.6 Ų66.646%0.4637%0.373SS..  trans-129.80.6175.7-60.1-65.1171.6174.9-1.5113.4Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.39Å; Q31-R47 CarbonylContact O-C 3.48Å; F32-R47 PolarHBondContact O-N 2.78Å; R34-R47 HydrophobicContact CB-CG 3.93Å; E45-R47 IonicContact OE2-CZ 3.66Å; E45-R47 IonicContact OE2-NH2 2.73Å; E45-R47 PolarHBondContact OE2-NH2 3.23Å
48A97.1Very high97.4Very high6 Ų666.1 Ų66.15%0.0537%0.367CS..SBendtrans-139.4145.7172.800000110.4T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.3Å; F32-A48 HydrophobicContact CB-CB 4.25Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.25Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4.07Å; A48-W50 PolarHBondContact O-N 3.26Å; A48-I51 WeakPolarHBondContact O-CG2 3.39Å; A48-I51 PolarHBondContact O-N 2.86Å
49P96.9Very high97.5Very high104 Ų10464.5 Ų64.568%0.67536%0.355SS*.G310 helixtrans-59-38.3-176.4-26.534.9000113.9I51 E52P49-I51 PolarHBondContact O-N 2.91Å; P49-E52 WeakPolarHBondContact O-CB 3.39Å; P49-E52 PolarHBondContact O-N 2.93Å; P49-E52 VanDerWaalsContact O-N 3.1Å
50W96.6Very high97.5Very high16 Ų1668.1 Ų68.16%0.06137%0.37CS..G310 helixtrans-69.4-14.4-17655-105.4000114.4V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.34Å; V27-W50 HydrophobicContact CB-CZ2 4.38Å; V27-W50 HydrophobicContact CG2-CH2 3.86Å; V27-W50 HydrophobicContact CG2-CZ2 4.38Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 4.04Å; F32-W50 HydrophobicContact CD1-CH2 4.12Å; F32-W50 AromaticContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CZ3 4.18Å; F32-W50 AromaticContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CH2 3.48Å; F32-W50 VanDerWaalsContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CZ2 4.12Å; F32-W50 HydrophobicContact CG-CZ3 4.26Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.25Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4.07Å; A48-W50 PolarHBondContact O-N 3.26Å; W50-Q53 WeakPolarHBondContact O-CG 3.17Å; W50-Y170 HydrophobicContact CH2-CG 4.12Å; W50-Y170 AromaticContact CZ3-CD1 3.75Å; W50-Y170 HydrophobicContact CZ3-CD1 3.75Å; W50-Y170 HydrophobicContact CZ3-CD2 4.37Å; W50-Y170 AromaticContact CZ3-CG 3.65Å; W50-Y170 HydrophobicContact CZ3-CG 3.65Å; W50-N173 HydrophobicContact CB-CB 4.41Å; W50-N173 WeakPolarHBondContact CB-O 3.38Å; W50-N173 HydrophobicContact CE3-CB 4.46Å; W50-L178 HydrophobicContact CZ2-CD1 3.95Å; W50-L178 HydrophobicContact CZ2-CD2 4.41Å
51I97.7Very high97.6Very high0 Ų069.5 Ų69.50%035%0.35CS..G310 helixtrans-86.9-18.9174.3-163.871.3000111.6F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.49Å; F32-I51 HydrophobicContact CD2-CD1 3.9Å; F32-I51 HydrophobicContact CD2-CG1 4.01Å; F32-I51 HydrophobicContact CE2-CD1 4.29Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.29Å; V33-I51 HydrophobicContact CG1-CG1 4.41Å; P46-I51 HydrophobicContact CB-CG2 3.61Å; A48-I51 WeakPolarHBondContact O-CG2 3.39Å; A48-I51 PolarHBondContact O-N 2.86Å; P49-I51 PolarHBondContact O-N 2.91Å; I51-Q53 PolarHBondContact O-N 2.78Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.68Å; I51-E54 HydrophobicContact CG1-CG 4.22Å; I51-E54 WeakPolarHBondContact O-CB 3.43Å; I51-E54 WeakPolarHBondContact O-CG 3.34Å; I51-E54 PolarHBondContact O-N 3.46Å; I51-Y58 HydrophobicContact CD1-CE1 4.22Å; I51-Y58 HydrophobicContact CG1-CE1 4.27Å; I51-W59 HydrophobicContact CB-CH2 4.44Å; I51-W59 HydrophobicContact CG1-CH2 3.74Å; I51-W59 HydrophobicContact CG1-CZ2 4.03Å; I51-W59 HydrophobicContact CG2-CH2 3.98Å; I51-W59 HydrophobicContact CG2-CZ2 4.39Å; I51-W59 WeakPolarHBondContact O-CZ2 3.31Å; I51-Y170 HydrophobicContact CD1-CD1 3.82Å; I51-Y170 HydrophobicContact CD1-CE1 3.37Å
52E96.4Very high97.6Very high126 Ų12666.6 Ų66.659%0.58933%0.328SS*.THydrogen-bonded Turntrans-65.5-20-176.9-63.6-178.4-170.800113.2P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.79Å; P46-E52 HydrophobicContact CG-CG 4.05Å; P49-E52 WeakPolarHBondContact O-CB 3.39Å; P49-E52 PolarHBondContact O-N 2.93Å; P49-E52 VanDerWaalsContact O-N 3.1Å; E52-E54 PolarHBondContact O-N 3.18Å
53Q95.9Very high97.7Very high119 Ų11965.5 Ų65.556%0.55632%0.321SS*.THydrogen-bonded Turntrans-72.6-12174.471.3-176.337.800114W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.17Å; I51-Q53 PolarHBondContact O-N 2.78Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 3.06Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.15Å; Q53-N173 PolarHBondContact NE2-OD1 3.09Å
54E97.6Very high97.7Very high12 Ų1264 Ų646%0.05632%0.32CS..SBendtrans-67.3137.7174.6-64.9-61.9165.500110.9I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.68Å; I51-E54 HydrophobicContact CG1-CG 4.22Å; I51-E54 WeakPolarHBondContact O-CB 3.43Å; I51-E54 WeakPolarHBondContact O-CG 3.34Å; I51-E54 PolarHBondContact O-N 3.46Å; E52-E54 PolarHBondContact O-N 3.18Å; E54-Y58 HydrophobicContact CB-CD1 3.64Å; E54-Y58 HydrophobicContact CB-CE1 4.3Å; E54-Y58 HydrophobicContact CB-CG 3.8Å; E54-Y58 HydrophobicContact CG-CD1 4.08Å; E54-Y58 HydrophobicContact CG-CD2 4.48Å; E54-Y58 HydrophobicContact CG-CE1 4.33Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; E54-W59 PolarHBondContact O-NE1 2.82Å; E54-R169 IonicContact OE1-CZ 2.93Å; E54-R169 IonicContact OE1-NE 3.42Å; E54-R169 PolarHBondContact OE1-NE 3.41Å; E54-R169 IonicContact OE1-NH2 3.67Å; E54-R169 PolarHBondContact OE1-NH2 3.42Å; E54-R169 IonicContact OE2-CZ 3.03Å; E54-R169 IonicContact OE2-NE 2.65Å; E54-R169 PolarHBondContact OE2-NE 3.02Å; E54-R169 IonicContact OE2-NH2 2.72Å; E54-R169 PolarHBondContact OE2-NH2 3.31Å; E54-N173 PolarHBondContact OE1-ND2 3.22Å; E54-N173 VanDerWaalsContact OE1-ND2 3.17Å
55G97.4Very high97.7Very high30 Ų3066.8 Ų66.831%0.30933%0.334SS..  trans-69.7167.2-176.300000114.3E57 Y58G55-E57 PolarHBondContact O-N 3.49Å; G55-Y58 WeakPolarHBondContact O-CB 3.47Å; G55-Y58 PolarHBondContact O-N 3.09Å
56P97.5Very high97.7Very high82 Ų8264 Ų6453%0.53232%0.321SS..Hα-helixtrans-56.7-33.6-178.923.2-32.7000113.1Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 2.86Å; P56-W59 PolarHBondContact O-N 3.11Å; P56-W59 VanDerWaalsContact O-N 3.12Å; P56-D60 WeakPolarHBondContact O-CB 3.38Å; P56-D60 PolarHBondContact O-N 3.02Å
57E97.9Very high97.7Very high144 Ų14466.1 Ų66.167%0.67333%0.325SS*.Hα-helixtrans-62.1-34.4178.9-60.278-171.400112.3G55 R61G55-E57 PolarHBondContact O-N 3.49Å; E57-R61 WeakPolarHBondContact O-CB 3.37Å; E57-R61 PolarHBondContact O-N 2.81Å
58Y97.9Very high97.7Very high16 Ų1663.9 Ų63.96%0.06333%0.325CS..Hα-helixtrans-64.7-47.7174.4172.3-93.4000110.7I51 E54 G55 P56 N62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.22Å; I51-Y58 HydrophobicContact CG1-CE1 4.27Å; E54-Y58 HydrophobicContact CB-CD1 3.64Å; E54-Y58 HydrophobicContact CB-CE1 4.3Å; E54-Y58 HydrophobicContact CB-CG 3.8Å; E54-Y58 HydrophobicContact CG-CD1 4.08Å; E54-Y58 HydrophobicContact CG-CD2 4.48Å; E54-Y58 HydrophobicContact CG-CE1 4.33Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; G55-Y58 WeakPolarHBondContact O-CB 3.47Å; G55-Y58 PolarHBondContact O-N 3.09Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 2.86Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.46Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.32Å; Y58-N62 VanDerWaalsContact CZ-ND2 3.32Å; Y58-N62 WeakPolarHBondContact O-CB 3.42Å; Y58-N62 PolarHBondContact O-N 3.4Å; Y58-N62 PolarHBondContact O-ND2 2.76Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.09Å; Y58-W166 AromaticContact CD2-CZ3 3.93Å; Y58-W166 HydrophobicContact CD2-CZ3 3.93Å; Y58-W166 HydrophobicContact CE2-CE3 4.36Å; Y58-W166 AromaticContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CZ2 4.28Å; Y58-W166 AromaticContact CE2-CZ3 3.86Å; Y58-W166 HydrophobicContact CE2-CZ3 3.86Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.45Å; Y58-Y170 VanDerWaalsContact CZ-OH 3.3Å; Y58-Y170 PolarHBondContact OH-OH 3.21Å
59W98.4Very high97.8Very high39 Ų3964.9 Ų64.915%0.14833%0.329CS..Hα-helixtrans-67.2-41.9-177.8-63.9111.6000112.3V33 T44 P46 I51 E54 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.16Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å; T44-W59 HydrophobicContact CG2-CE3 4.06Å; T44-W59 HydrophobicContact CG2-CZ3 3.91Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.45Å; P46-W59 HydrophobicContact CG-CH2 4.27Å; P46-W59 HydrophobicContact CG-CZ2 4.47Å; I51-W59 HydrophobicContact CB-CH2 4.44Å; I51-W59 HydrophobicContact CG1-CH2 3.74Å; I51-W59 HydrophobicContact CG1-CZ2 4.03Å; I51-W59 HydrophobicContact CG2-CH2 3.98Å; I51-W59 HydrophobicContact CG2-CZ2 4.39Å; I51-W59 WeakPolarHBondContact O-CZ2 3.31Å; E54-W59 PolarHBondContact O-NE1 2.82Å; P56-W59 PolarHBondContact O-N 3.11Å; P56-W59 VanDerWaalsContact O-N 3.12Å; W59-T63 WeakPolarHBondContact O-CB 3.45Å; W59-T63 PolarHBondContact O-N 2.93Å; W59-T63 PolarHBondContact O-OG1 3.35Å
60D98.4Very high97.8Very high113 Ų11360.7 Ų60.760%0.60430%0.302SS*.Hα-helixtrans-65.4-46.1177.5-74.6-17.8000111.2P56 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.38Å; P56-D60 PolarHBondContact O-N 3.02Å; D60-T63 PolarHBondContact O-N 3.04Å; D60-Q64 WeakPolarHBondContact O-CB 3.4Å; D60-Q64 PolarHBondContact O-N 2.98Å
61R98.1Very high97.9Very high147 Ų14764 Ų6456%0.55532%0.318SS*.Hα-helixtrans-60-49.8177.1-179.4-179.4175.2-176-0.6111.6E57 T63 Q64 I65E57-R61 WeakPolarHBondContact O-CB 3.37Å; E57-R61 PolarHBondContact O-N 2.81Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 3.17Å; R61-Q64 PolarHBondContact O-N 2.78Å; R61-I65 HydrophobicContact CG-CD1 4Å; R61-I65 WeakPolarHBondContact O-CG1 3.39Å; R61-I65 PolarHBondContact O-N 3.4Å
62N98.1Very high97.9Very high20 Ų2067.1 Ų67.111%0.10734%0.337CS..Hα-helixtrans-65.6-39-179.6-79.2-77.1000111.7T44 Y58 Q64 I65 F66T44-N62 HydrophobicContact CG2-CB 4.29Å; T44-N62 VanDerWaalsContact OG1-C 3.31Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.46Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.32Å; Y58-N62 VanDerWaalsContact CZ-ND2 3.32Å; Y58-N62 WeakPolarHBondContact O-CB 3.42Å; Y58-N62 PolarHBondContact O-N 3.4Å; Y58-N62 PolarHBondContact O-ND2 2.76Å; N62-Q64 VanDerWaalsContact C-N 3.33Å; N62-Q64 PolarHBondContact O-N 3.3Å; N62-I65 PolarHBondContact O-N 2.72Å; N62-F66 HydrophobicContact CB-CE2 4.29Å; N62-F66 WeakPolarHBondContact O-CD2 3.41Å; N62-F66 PolarHBondContact O-N 2.8Å
63T98.6Very high98Very high15 Ų1561.3 Ų61.39%0.09231%0.31CS..Hα-helixtrans-59.5-44.9174.4-650000111.3R43 T44 W59 D60 R61 F66 K67R43-T63 HydrophobicContact CB-CG2 4.18Å; T44-T63 PolarHBondContact N-OG1 3.15Å; T44-T63 WeakPolarHBondContact OG1-CA 3.3Å; T44-T63 PolarHBondContact OG1-N 2.96Å; T44-T63 VanDerWaalsContact OG1-N 3.1Å; T44-T63 PolarHBondContact OG1-OG1 2.68Å; W59-T63 WeakPolarHBondContact O-CB 3.45Å; W59-T63 PolarHBondContact O-N 2.93Å; W59-T63 PolarHBondContact O-OG1 3.35Å; D60-T63 PolarHBondContact O-N 3.04Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 3.17Å; T63-F66 PolarHBondContact O-N 2.83Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CG 3.17Å; T63-K67 PolarHBondContact O-N 3.04Å
64Q98.5Very high98Very high115 Ų11557.9 Ų57.954%0.53729%0.292SS..Hα-helixtrans-65.3-40177.7-170.758.824.100111.9D60 R61 N62 F66 K67 T68D60-Q64 WeakPolarHBondContact O-CB 3.4Å; D60-Q64 PolarHBondContact O-N 2.98Å; R61-Q64 PolarHBondContact O-N 2.78Å; N62-Q64 VanDerWaalsContact C-N 3.33Å; N62-Q64 PolarHBondContact O-N 3.3Å; Q64-F66 PolarHBondContact O-N 3.46Å; Q64-K67 PolarHBondContact O-N 3.16Å; Q64-T68 PolarHBondContact O-N 3.08Å; Q64-T68 PolarHBondContact O-OG1 2.85Å; Q64-T68 VanDerWaalsContact O-OG1 3.13Å
65I98.1Very high98Very high66 Ų6662.9 Ų62.934%0.33832%0.315SS..Hα-helixtrans-59.1-46174.8-71.4166.1000111R61 N62 T68 N69R61-I65 HydrophobicContact CG-CD1 4Å; R61-I65 WeakPolarHBondContact O-CG1 3.39Å; R61-I65 PolarHBondContact O-N 3.4Å; N62-I65 PolarHBondContact O-N 2.72Å; I65-T68 PolarHBondContact O-N 2.65Å; I65-N69 WeakPolarHBondContact CG2-ND2 3.1Å; I65-N69 PolarHBondContact O-N 3.26Å; I65-N69 PolarHBondContact O-ND2 3.03Å
66F98.5Very high98.1Very high3 Ų363 Ų631%0.01331%0.312CS..Hα-helixtrans-70.8-32.7179.3-63.7-47.1000113.2Y6 Y8 F21 A23 F35 T44 N62 T63 Q64 N69 T70Y6-F66 HydrophobicContact CE1-CZ 4.36Å; Y8-F66 HydrophobicContact CE1-CD1 4.2Å; Y8-F66 AromaticContact CE1-CE1 3.62Å; Y8-F66 HydrophobicContact CE1-CE1 3.62Å; Y8-F66 AromaticContact CZ-CE1 3.75Å; Y8-F66 VanDerWaalsContact OH-CE1 3.3Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.28Å; F21-F66 HydrophobicContact CE1-CB 4.2Å; F21-F66 HydrophobicContact CE1-CD1 4.18Å; A23-F66 HydrophobicContact CB-CD1 3.58Å; A23-F66 HydrophobicContact CB-CE1 3.47Å; A23-F66 VanDerWaalsContact CB-CE1 3.47Å; A23-F66 HydrophobicContact CB-CG 4.23Å; A23-F66 HydrophobicContact CB-CZ 4.04Å; F35-F66 HydrophobicContact CB-CB 4.06Å; F35-F66 HydrophobicContact CB-CD2 3.48Å; F35-F66 VanDerWaalsContact CB-CD2 3.48Å; F35-F66 HydrophobicContact CB-CE2 4.07Å; F35-F66 HydrophobicContact CB-CG 3.84Å; F35-F66 HydrophobicContact CD1-CB 3.66Å; F35-F66 HydrophobicContact CD1-CG 4.31Å; F35-F66 HydrophobicContact CD2-CB 3.61Å; F35-F66 AromaticContact CD2-CD2 3.95Å; F35-F66 HydrophobicContact CD2-CD2 3.95Å; F35-F66 HydrophobicContact CD2-CG 4.19Å; F35-F66 HydrophobicContact CE1-CB 3.94Å; F35-F66 HydrophobicContact CE2-CB 3.91Å; F35-F66 HydrophobicContact CG-CB 3.49Å; F35-F66 VanDerWaalsContact CG-CB 3.49Å; F35-F66 AromaticContact CG-CD2 3.81Å; F35-F66 HydrophobicContact CG-CD2 3.81Å; F35-F66 AromaticContact CG-CG 3.86Å; F35-F66 HydrophobicContact CG-CG 3.86Å; F35-F66 HydrophobicContact CZ-CB 4.06Å; T44-F66 HydrophobicContact CG2-CD2 4.27Å; T44-F66 HydrophobicContact CG2-CE2 3.7Å; T44-F66 VanDerWaalsContact OG1-CD2 3.23Å; T44-F66 WeakPolarHBondContact OG1-CD2 3.24Å; T44-F66 WeakPolarHBondContact OG1-CE2 3.38Å; N62-F66 HydrophobicContact CB-CE2 4.29Å; N62-F66 WeakPolarHBondContact O-CD2 3.41Å; N62-F66 PolarHBondContact O-N 2.8Å; T63-F66 PolarHBondContact O-N 2.83Å; Q64-F66 PolarHBondContact O-N 3.46Å; F66-N69 PolarHBondContact O-N 2.87Å; F66-T70 PolarHBondContact O-N 3.44Å; F66-T70 PolarHBondContact O-OG1 3.48Å
67K98.2Very high98.1Very high93 Ų9359.5 Ų59.540%0.40429%0.288SS..Hα-helixtrans-63.3-44.2171-75.8179.3177.7178.20111.9F35 P42 T63 Q64 T70 Q71F35-K67 HydrophobicContact CE2-CG 4.3Å; F35-K67 HydrophobicContact CZ-CG 4.14Å; P42-K67 VanDerWaalsContact O-CE 3.25Å; P42-K67 WeakPolarHBondContact O-CE 3.37Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CG 3.17Å; T63-K67 PolarHBondContact O-N 3.04Å; Q64-K67 PolarHBondContact O-N 3.16Å; K67-T70 WeakPolarHBondContact O-CB 3.15Å; K67-T70 PolarHBondContact O-N 3.07Å; K67-Q71 PolarHBondContact O-N 3.28Å
68T98.3Very high98Very high76 Ų7659.3 Ų59.347%0.46628%0.282SS..Hα-helixtrans-61.8-46.8173.8-60.70000111Q64 I65 T70 Q71 T72Q64-T68 PolarHBondContact O-N 3.08Å; Q64-T68 PolarHBondContact O-OG1 2.85Å; Q64-T68 VanDerWaalsContact O-OG1 3.13Å; I65-T68 PolarHBondContact O-N 2.65Å; T68-T70 VanDerWaalsContact C-N 3.28Å; T68-T70 PolarHBondContact O-N 2.04Å; T68-Q71 PolarHBondContact O-N 2.97Å; T68-Q71 VanDerWaalsContact O-N 3.07Å; T68-T72 PolarHBondContact O-N 2.86Å; T68-T72 VanDerWaalsContact O-N 3.08Å; T68-T72 PolarHBondContact O-OG1 2.97Å
69N98.1Very high98Very high26 Ų2662.6 Ų62.614%0.13930%0.3CS..Hα-helixtrans-59.2-38.3176.3-81.7-70.4000112F21 I65 F66 Q71 T72 Y73F21-N69 HydrophobicContact CE1-CB 4.12Å; F21-N69 HydrophobicContact CE2-CB 4.18Å; F21-N69 HydrophobicContact CZ-CB 3.69Å; I65-N69 WeakPolarHBondContact CG2-ND2 3.1Å; I65-N69 PolarHBondContact O-N 3.26Å; I65-N69 PolarHBondContact O-ND2 3.03Å; F66-N69 PolarHBondContact O-N 2.87Å; N69-Q71 PolarHBondContact O-N 2.94Å; N69-Q71 VanDerWaalsContact O-N 3.17Å; N69-T72 PolarHBondContact O-N 2.85Å; N69-T72 VanDerWaalsContact O-N 3.1Å; N69-Y73 HydrophobicContact CB-CD2 4.14Å; N69-Y73 HydrophobicContact CB-CE2 4.33Å; N69-Y73 WeakPolarHBondContact O-CB 3.02Å; N69-Y73 VanDerWaalsContact O-CD2 3.25Å; N69-Y73 WeakPolarHBondContact O-CD2 3.49Å; N69-Y73 PolarHBondContact O-N 3.44Å
70T98.1Very high97.9Very high17 Ų1761.1 Ų61.110%0.10430%0.295CS..Hα-helixtrans-53.7-39.4176.2-59.10000111.7F21 F66 K67 T68 R74F21-T70 HydrophobicContact CB-CG2 3.93Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.05Å; F66-T70 PolarHBondContact O-N 3.44Å; F66-T70 PolarHBondContact O-OG1 3.48Å; K67-T70 WeakPolarHBondContact O-CB 3.15Å; K67-T70 PolarHBondContact O-N 3.07Å; T68-T70 VanDerWaalsContact C-N 3.28Å; T68-T70 PolarHBondContact O-N 2.04Å; T70-R74 WeakPolarHBondContact O-CB 3.25Å; T70-R74 PolarHBondContact O-N 2.87Å
71Q97.9Very high97.9Very high85 Ų8559 Ų5940%0.39728%0.279SS..Hα-helixtrans-73.4-46.1175.5-57.2-52.6-43.700112.1K67 T68 N69 Y73 R74 E75K67-Q71 PolarHBondContact O-N 3.28Å; T68-Q71 PolarHBondContact O-N 2.97Å; T68-Q71 VanDerWaalsContact O-N 3.07Å; N69-Q71 PolarHBondContact O-N 2.94Å; N69-Q71 VanDerWaalsContact O-N 3.17Å; Q71-Y73 VanDerWaalsContact C-N 3.29Å; Q71-Y73 PolarHBondContact O-N 3.02Å; Q71-R74 WeakPolarHBondContact O-CB 3.38Å; Q71-R74 PolarHBondContact O-N 2.88Å; Q71-R74 VanDerWaalsContact O-N 3.17Å; Q71-E75 PolarHBondContact O-N 2.85Å; Q71-E75 VanDerWaalsContact O-N 3.09Å
72T98Very high97.8Very high65 Ų6554 Ų5440%0.39927%0.273SS..Hα-helixtrans-57.5-41.6178-55.60000112.4T68 N69 E75 S76T68-T72 PolarHBondContact O-N 2.86Å; T68-T72 VanDerWaalsContact O-N 3.08Å; T68-T72 PolarHBondContact O-OG1 2.97Å; N69-T72 PolarHBondContact O-N 2.85Å; N69-T72 VanDerWaalsContact O-N 3.1Å; T72-E75 PolarHBondContact O-N 3.47Å; T72-S76 WeakPolarHBondContact O-CB 3.47Å; T72-S76 PolarHBondContact O-N 2.97Å; T72-S76 PolarHBondContact O-OG 2.93Å
73Y97.9Very high97.8Very high4 Ų455.8 Ų55.82%0.01628%0.279CS..Hα-helixtrans-74.2-30.7179.9-84.7-88.7000112.9Y8 A10 F21 N69 Q71 S76 L77 I94 R96 Y115Y8-Y73 AromaticContact CD2-CE2 3.75Å; Y8-Y73 HydrophobicContact CD2-CE2 3.75Å; Y8-Y73 AromaticContact CD2-CZ 3.88Å; Y8-Y73 HydrophobicContact CE2-CE2 4.47Å; A10-Y73 HydrophobicContact CB-CD1 3.91Å; A10-Y73 HydrophobicContact CB-CG 4.05Å; F21-Y73 HydrophobicContact CD2-CD2 4.08Å; F21-Y73 HydrophobicContact CD2-CG 4.09Å; F21-Y73 AromaticContact CE2-CD2 3.52Å; F21-Y73 HydrophobicContact CE2-CD2 3.52Å; F21-Y73 AromaticContact CE2-CE2 3.88Å; F21-Y73 HydrophobicContact CE2-CE2 3.88Å; F21-Y73 AromaticContact CE2-CG 3.91Å; F21-Y73 HydrophobicContact CE2-CG 3.91Å; F21-Y73 HydrophobicContact CZ-CD2 4.4Å; N69-Y73 HydrophobicContact CB-CD2 4.14Å; N69-Y73 HydrophobicContact CB-CE2 4.33Å; N69-Y73 WeakPolarHBondContact O-CB 3.02Å; N69-Y73 VanDerWaalsContact O-CD2 3.25Å; N69-Y73 WeakPolarHBondContact O-CD2 3.49Å; N69-Y73 PolarHBondContact O-N 3.44Å; Q71-Y73 VanDerWaalsContact C-N 3.29Å; Q71-Y73 PolarHBondContact O-N 3.02Å; Y73-S76 PolarHBondContact O-N 2.67Å; Y73-L77 WeakPolarHBondContact O-CG 3.33Å; Y73-L77 PolarHBondContact O-N 3.42Å; Y73-I94 HydrophobicContact CD1-CD1 4.07Å; Y73-I94 HydrophobicContact CD1-CG1 4.46Å; Y73-I94 HydrophobicContact CD1-CG2 3.6Å; Y73-I94 HydrophobicContact CE1-CD1 3.99Å; Y73-I94 HydrophobicContact CE1-CG1 4.29Å; Y73-I94 HydrophobicContact CE1-CG2 4.2Å; Y73-R96 WeakPolarHBondContact OH-CB 3.15Å; Y73-R96 WeakPolarHBondContact OH-CD 3.46Å; Y73-Y115 HydrophobicContact CE1-CE1 4.3Å; Y73-Y115 WeakPolarHBondContact OH-CE1 3.45Å
74R97.6Very high97.8Very high47 Ų4758.3 Ų58.318%0.17729%0.287CS..Hα-helixtrans-60.7-46170177.2-169.2-58.2-174.5-11.1111.2E18 P19 T70 Q71 R78E18-R74 VanDerWaalsContact CD-CZ 3.43Å; E18-R74 IonicContact OE1-NH1 2.82Å; E18-R74 WeakPolarHBondContact OE2-CD 3.32Å; E18-R74 IonicContact OE2-CZ 2.92Å; E18-R74 IonicContact OE2-NE 2.75Å; E18-R74 PolarHBondContact OE2-NE 3.18Å; E18-R74 IonicContact OE2-NH1 3.21Å; E18-R74 IonicContact OE2-NH2 3.91Å; P19-R74 HydrophobicContact CG-CB 4.39Å; P19-R74 HydrophobicContact CG-CG 4.14Å; T70-R74 WeakPolarHBondContact O-CB 3.25Å; T70-R74 PolarHBondContact O-N 2.87Å; Q71-R74 WeakPolarHBondContact O-CB 3.38Å; Q71-R74 PolarHBondContact O-N 2.88Å; Q71-R74 VanDerWaalsContact O-N 3.17Å; R74-R78 PolarHBondContact O-N 2.81Å
75E97.5Very high97.7Very high117 Ų11760.1 Ų60.155%0.54730%0.3SS..Hα-helixtrans-66.2-40.4175-68.7177.7-178.300111.8Q71 T72 L77 R78 N79Q71-E75 PolarHBondContact O-N 2.85Å; Q71-E75 VanDerWaalsContact O-N 3.09Å; T72-E75 PolarHBondContact O-N 3.47Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 3.02Å; E75-R78 WeakPolarHBondContact O-CB 3.21Å; E75-R78 PolarHBondContact O-N 2.8Å; E75-R78 VanDerWaalsContact O-N 3.12Å; E75-N79 PolarHBondContact O-N 3.19Å; E75-N79 PolarHBondContact O-ND2 2.98Å
76S97.8Very high97.7Very high33 Ų3359.8 Ų59.823%0.23130%0.297CS..Hα-helixtrans-59.8-43177.1-59.30000111.9T72 Y73 R78 N79 L80T72-S76 WeakPolarHBondContact O-CB 3.47Å; T72-S76 PolarHBondContact O-N 2.97Å; T72-S76 PolarHBondContact O-OG 2.93Å; Y73-S76 PolarHBondContact O-N 2.67Å; S76-R78 VanDerWaalsContact C-N 3.32Å; S76-R78 PolarHBondContact O-N 2.8Å; S76-N79 PolarHBondContact O-N 3.42Å; S76-L80 WeakPolarHBondContact O-CB 3.44Å; S76-L80 VanDerWaalsContact O-CG 3.3Å; S76-L80 WeakPolarHBondContact O-CG 3.37Å; S76-L80 PolarHBondContact O-N 2.9Å
77L98.1Very high97.5Very high9 Ų963.3 Ų63.35%0.04732%0.322CS..Hα-helixtrans-60.1-40174.4-78.4165.3000112.3A10 P19 Y73 E75 R81 H92 I94 Y117A10-L77 HydrophobicContact CB-CD1 4.05Å; P19-L77 HydrophobicContact CB-CD1 3.62Å; P19-L77 HydrophobicContact CG-CD1 3.86Å; Y73-L77 WeakPolarHBondContact O-CG 3.33Å; Y73-L77 PolarHBondContact O-N 3.42Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 3.02Å; L77-R81 WeakPolarHBondContact O-CB 3.45Å; L77-R81 PolarHBondContact O-N 2.64Å; L77-R81 VanDerWaalsContact O-N 3.11Å; L77-H92 HydrophobicContact CD2-CB 4.22Å; L77-I94 HydrophobicContact CD1-CG2 4.44Å; L77-I94 HydrophobicContact CD2-CB 4.24Å; L77-I94 HydrophobicContact CD2-CG2 3.78Å; L77-I94 HydrophobicContact CG-CG2 3.81Å; L77-Y117 HydrophobicContact CD2-CE2 4.24Å
78R96.3Very high97.2Very high140 Ų14065.5 Ų65.553%0.52833%0.334SS..Hα-helixtrans-66-43.3176.1-67.5176-174.9165.71.3111.6R74 E75 S76 G82R74-R78 PolarHBondContact O-N 2.81Å; E75-R78 WeakPolarHBondContact O-CB 3.21Å; E75-R78 PolarHBondContact O-N 2.8Å; E75-R78 VanDerWaalsContact O-N 3.12Å; S76-R78 VanDerWaalsContact C-N 3.32Å; S76-R78 PolarHBondContact O-N 2.8Å; R78-G82 PolarHBondContact O-N 3.22Å
79N97.1Very high96.9Very high85 Ų8566 Ų6646%0.45535%0.346SS..Hα-helixtrans-64.3-47.7178.5-71.3-26.4000111.9E75 S76 R81 G82 Y83E75-N79 PolarHBondContact O-N 3.19Å; E75-N79 PolarHBondContact O-ND2 2.98Å; S76-N79 PolarHBondContact O-N 3.42Å; N79-R81 PolarHBondContact O-N 2.79Å; N79-G82 WeakPolarHBondContact O-CA 3.4Å; N79-G82 PolarHBondContact O-N 3.24Å; N79-G82 VanDerWaalsContact O-N 3.09Å; N79-Y83 WeakPolarHBondContact O-CD1 3.11Å; N79-Y83 PolarHBondContact O-N 3.22Å
80L97.8Very high96.6Very high7 Ų765.8 Ų65.84%0.03735%0.35CS..Hα-helixtrans-61.8-45.2179.9-72.3169.1000111.4S76 G82 Y83 Y84 I94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.44Å; S76-L80 VanDerWaalsContact O-CG 3.3Å; S76-L80 WeakPolarHBondContact O-CG 3.37Å; S76-L80 PolarHBondContact O-N 2.9Å; L80-G82 PolarHBondContact O-N 3.06Å; L80-Y83 HydrophobicContact CD2-CD2 4.47Å; L80-Y83 PolarHBondContact O-N 3.22Å; L80-Y84 HydrophobicContact CD2-CE2 4.24Å; L80-Y84 VanDerWaalsContact O-CD2 3.25Å; L80-Y84 WeakPolarHBondContact O-CD2 3.23Å; L80-Y84 PolarHBondContact O-N 2.75Å; L80-I94 HydrophobicContact CD1-CB 4.21Å; L80-I94 HydrophobicContact CD1-CD1 3.6Å; L80-I94 HydrophobicContact CD1-CG1 4.04Å; L80-Y117 HydrophobicContact CB-CD1 4.44Å; L80-Y117 HydrophobicContact CB-CD2 4.22Å; L80-Y117 HydrophobicContact CB-CE1 4.05Å; L80-Y117 HydrophobicContact CB-CE2 3.83Å; L80-Y117 HydrophobicContact CD1-CD2 3.57Å; L80-Y117 HydrophobicContact CD1-CE2 3.89Å; L80-Y117 HydrophobicContact CD1-CG 4.03Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; L80-Y122 HydrophobicContact CD2-CD1 4.45Å; L80-Y122 HydrophobicContact CD2-CD2 4.13Å; L80-Y122 HydrophobicContact CD2-CE1 3.85Å; L80-Y122 HydrophobicContact CD2-CE2 3.46Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.46Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.43Å
81R96.9Very high96.5Very high70 Ų7068.3 Ų68.326%0.26437%0.368SS..Hα-helixtrans-53-41.8173.4-172.4-171.267.416312.2111.8L77 N79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.45Å; L77-R81 PolarHBondContact O-N 2.64Å; L77-R81 VanDerWaalsContact O-N 3.11Å; N79-R81 PolarHBondContact O-N 2.79Å; R81-N85 PolarHBondContact O-N 2.92Å; R81-N85 VanDerWaalsContact O-N 3.12Å; R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 3.38Å; R81-Q86 PolarHBondContact O-N 3.06Å; R81-E88 IonicContact CZ-OE1 2.87Å; R81-E88 VanDerWaalsContact NH1-CB 3.32Å; R81-E88 VanDerWaalsContact NH1-CD 3.28Å; R81-E88 IonicContact NH1-OE1 3.93Å; R81-E88 PolarHBondContact NH1-OE1 3.13Å; R81-E88 IonicContact NH2-OE1 3.65Å; R81-E88 PolarHBondContact NH2-OE1 3.48Å
82G97.1Very high96.6Very high42 Ų4265.1 Ų65.143%0.43335%0.353SS..Hα-helixtrans-65.6-44.3174.900000113.2R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 3.22Å; N79-G82 WeakPolarHBondContact O-CA 3.4Å; N79-G82 PolarHBondContact O-N 3.24Å; N79-G82 VanDerWaalsContact O-N 3.09Å; L80-G82 PolarHBondContact O-N 3.06Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 3.1Å; G82-N85 PolarHBondContact O-N 3.12Å; G82-N85 VanDerWaalsContact O-N 3.17Å; G82-N85 PolarHBondContact O-OD1 3.3Å
83Y97.8Very high96.6Very high57 Ų5764.7 Ų64.722%0.22435%0.348CS..Hα-helixtrans-62.7-34179.2-64.5-8000112.6N79 L80 I141 K145N79-Y83 WeakPolarHBondContact O-CD1 3.11Å; N79-Y83 PolarHBondContact O-N 3.22Å; L80-Y83 HydrophobicContact CD2-CD2 4.47Å; L80-Y83 PolarHBondContact O-N 3.22Å; Y83-I141 HydrophobicContact CD1-CD1 4.26Å; Y83-I141 HydrophobicContact CE1-CG2 4.25Å; Y83-I141 HydrophobicContact CE2-CB 4.24Å; Y83-I141 HydrophobicContact CE2-CG2 4.04Å; Y83-I141 HydrophobicContact CG-CD1 4.24Å; Y83-K145 PolarHBondContact OH-NZ 2.95Å
84Y97.9Very high96.6Very high68 Ų6864.8 Ų64.827%0.26735%0.348SS..THydrogen-bonded Turntrans-94.24.9178.5-69-74.4000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.24Å; L80-Y84 VanDerWaalsContact O-CD2 3.25Å; L80-Y84 WeakPolarHBondContact O-CD2 3.23Å; L80-Y84 PolarHBondContact O-N 2.75Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 3.1Å; Y84-Q86 PolarHBondContact O-N 2.89Å; Y84-Y117 AromaticContact CD2-CD1 3.66Å; Y84-Y117 HydrophobicContact CD2-CD1 3.66Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.44Å; Y84-Y117 HydrophobicContact CE2-CD1 3.44Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.44Å; Y84-Y117 AromaticContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CG 4.44Å; Y84-Y117 HydrophobicContact CG-CE1 4.3Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.05Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.32Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.48Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.24Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 3.38Å; Y84-D136 PolarHBondContact OH-OD2 3.29Å; 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 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å
85N96.9Very high96.7Very high153 Ų15366.3 Ų66.382%0.81836%0.358SS*.THydrogen-bonded Turntrans50.839.5-177.4-60.1-52000113.6R81 G82R81-N85 PolarHBondContact O-N 2.92Å; R81-N85 VanDerWaalsContact O-N 3.12Å; G82-N85 PolarHBondContact O-N 3.12Å; G82-N85 VanDerWaalsContact O-N 3.17Å; G82-N85 PolarHBondContact O-OD1 3.3Å
86Q97.1Very high96.7Very high59 Ų5962.2 Ų62.228%0.27634%0.337SS..  trans-87.4152-176.1-70.9166.8-31.600112.1R81 Y84 H92 Y117R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 3.38Å; R81-Q86 PolarHBondContact O-N 3.06Å; Y84-Q86 PolarHBondContact O-N 2.89Å; Q86-H92 PolarHBondContact NE2-CE1 2.95Å; Q86-H92 PolarHBondContact OE1-CE1 3.05Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.23Å; Q86-Y117 PolarHBondContact OE1-OH 2.92Å
87S95.1Very high96.8Very high77 Ų7761.4 Ų61.454%0.53833%0.33SS..  trans-70.3157.6-179.3790000113.3A89 G90S87-A89 VanDerWaalsContact C-N 3.26Å; S87-A89 PolarHBondContact O-N 3.18Å; S87-G90 PolarHBondContact O-N 3.15Å
88E91.3Very high96.8Very high139 Ų13961.9 Ų61.965%0.6533%0.331SS*.THydrogen-bonded Turntrans-70.8-20.9176.9-49-143.4116.900114.3P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.37Å; P14-E88 WeakPolarHBondContact CG-O 3.49Å; R81-E88 IonicContact CZ-OE1 2.87Å; R81-E88 VanDerWaalsContact NH1-CB 3.32Å; R81-E88 VanDerWaalsContact NH1-CD 3.28Å; R81-E88 IonicContact NH1-OE1 3.93Å; R81-E88 PolarHBondContact NH1-OE1 3.13Å; R81-E88 IonicContact NH2-OE1 3.65Å; R81-E88 PolarHBondContact NH2-OE1 3.48Å; E88-G90 VanDerWaalsContact C-N 3.29Å; E88-G90 PolarHBondContact O-N 3.14Å
89A92.1Very high96.9Very high87 Ų8755.2 Ų55.272%0.71931%0.306SS*.THydrogen-bonded Turntrans-78.6-13.9-178.100000113S87S87-A89 VanDerWaalsContact C-N 3.26Å; S87-A89 PolarHBondContact O-N 3.18Å
90G92.8Very high97Very high21 Ų2151.2 Ų51.222%0.21628%0.284CS..  trans-75134.3-179.400000113.2P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.43Å; S87-G90 PolarHBondContact O-N 3.15Å; E88-G90 VanDerWaalsContact C-N 3.29Å; E88-G90 PolarHBondContact O-N 3.14Å; G90-H92 PolarHBondContact O-CD2 2.94Å; G90-H92 VanDerWaalsContact O-CD2 3.24Å
91S96.6Very high97.1Very high70 Ų7052 Ų5249%0.4929%0.289SS..  trans-85.3132164.8-178.40000108.8S12S12-S91 PolarHBondContact O-OG 3.27Å
92H98.2Very high97.1Very high18 Ų1848.9 Ų48.98%0.08328%0.277CS..  trans-133150.2-174.4-63.5-72.9000110.3M11 S12 L77 Q86 G90 Y117 D118M11-H92 CarbonylContact C-O 3.58Å; M11-H92 WeakPolarHBondContact CA-O 3.18Å; S12-H92 PolarHBondContact N-O 3.44Å; S12-H92 PolarHBondContact OG-N 2.89Å; S12-H92 PolarHBondContact OG-O 3.43Å; L77-H92 HydrophobicContact CD2-CB 4.22Å; Q86-H92 PolarHBondContact NE2-CE1 2.95Å; Q86-H92 PolarHBondContact OE1-CE1 3.05Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.23Å; G90-H92 PolarHBondContact O-CD2 2.94Å; G90-H92 VanDerWaalsContact O-CD2 3.24Å; H92-Y117 HydrophobicContact CB-CE2 3.84Å; H92-Y117 WeakPolarHBondContact CB-OH 3.42Å; H92-Y117 VanDerWaalsContact CG-OH 3.26Å; H92-Y117 AromaticContact ND1-CZ 4Å; H92-Y117 PolarHBondContact ND1-OH 2.85Å; H92-D118 WeakPolarHBondContact CA-OD1 3.17Å; H92-D118 WeakPolarHBondContact CB-OD1 3.25Å; H92-D118 IonicContact CE1-OD2 3.64Å; H92-D118 IonicContact CG-OD1 3.16Å; H92-D118 IonicContact CG-OD2 3.73Å; H92-D118 IonicContact ND1-OD1 2.92Å; H92-D118 IonicContact ND1-OD2 3.23Å; H92-D118 PolarHBondContact ND1-OD2 3.43Å
93I98.5Very high97.1Very high56 Ų5647.1 Ų47.129%0.28726%0.259SS..EExtended strand (participates in β ladder)trans-125.6130.4-178.4-59.3175.5000109T9 A10 M11 Q95 Y117 D118T9-I93 HydrophobicContact CG2-CG2 3.89Å; A10-I93 WeakPolarHBondContact O-CA 3.23Å; M11-I93 HydrophobicContact CB-CG1 4.11Å; M11-I93 HydrophobicContact CG-CD1 4.39Å; M11-I93 HydrophobicContact CG-CG1 3.87Å; M11-I93 HydrophobicContact SD-CD1 4.26Å; M11-I93 HydrophobicContact SD-CG1 4.38Å; I93-Q95 HydrophobicContact CG2-CG 3.82Å; I93-Y117 CarbonylContact O-C 3.59Å; I93-Y117 WeakPolarHBondContact O-CA 3.17Å; I93-Y117 VanDerWaalsContact O-CD2 3.22Å; I93-Y117 WeakPolarHBondContact O-CD2 3.36Å; I93-D118 PolarHBondContact N-OD1 2.98Å; I93-D118 PolarHBondContact O-N 3.38Å
94I98.6Very high97Very high6 Ų650.1 Ų50.13%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-112.1135.2164.2-176-176.3000108.4A10 Y73 L77 L80 Y115 A116 Y117A10-I94 HydrophobicContact CB-CG2 3.7Å; A10-I94 PolarHBondContact N-O 2.85Å; A10-I94 PolarHBondContact O-N 2.84Å; Y73-I94 HydrophobicContact CD1-CD1 4.07Å; Y73-I94 HydrophobicContact CD1-CG1 4.46Å; Y73-I94 HydrophobicContact CD1-CG2 3.6Å; Y73-I94 HydrophobicContact CE1-CD1 3.99Å; Y73-I94 HydrophobicContact CE1-CG1 4.29Å; Y73-I94 HydrophobicContact CE1-CG2 4.2Å; L77-I94 HydrophobicContact CD1-CG2 4.44Å; L77-I94 HydrophobicContact CD2-CB 4.24Å; L77-I94 HydrophobicContact CD2-CG2 3.78Å; L77-I94 HydrophobicContact CG-CG2 3.81Å; L80-I94 HydrophobicContact CD1-CB 4.21Å; L80-I94 HydrophobicContact CD1-CD1 3.6Å; L80-I94 HydrophobicContact CD1-CG1 4.04Å; I94-Y115 HydrophobicContact CD1-CD1 4.16Å; I94-Y115 HydrophobicContact CG1-CD1 4.48Å; I94-A116 WeakPolarHBondContact CA-O 3.45Å; I94-Y117 HydrophobicContact CB-CD2 4.27Å
95Q98.8Very high96.8Very high79 Ų7951.3 Ų51.337%0.36930%0.297SS..EExtended strand (participates in β ladder)trans-122.9148.9176.9-62175.2-8100109.8Y8 T9 I93 Y115 A116Y8-Q95 CarbonylContact O-C 3.55Å; Y8-Q95 VanDerWaalsContact O-CA 3.25Å; Y8-Q95 WeakPolarHBondContact O-CA 3.42Å; T9-Q95 HydrophobicContact CG2-CG 4.23Å; I93-Q95 HydrophobicContact CG2-CG 3.82Å; Q95-Y115 CarbonylContact O-C 3.51Å; Q95-Y115 VanDerWaalsContact O-CA 3.23Å; Q95-Y115 WeakPolarHBondContact O-CA 3.31Å; Q95-A116 HydrophobicContact CB-CB 4.39Å; Q95-A116 PolarHBondContact N-O 3.34Å; Q95-A116 PolarHBondContact O-N 3.47Å
96R98.8Very high96.6Very high31 Ų3145.3 Ų45.312%0.11727%0.271CS..EExtended strand (participates in β ladder)trans-133.4135.1170.2-178.4-168.7-178.8-170.54.9109.3F7 Y8 Y73 Y98 N113 Q114 Y115F7-R96 CarbonylContact C-O 3.59Å; F7-R96 WeakPolarHBondContact CA-O 3.35Å; Y8-R96 PolarHBondContact N-O 2.92Å; Y8-R96 PolarHBondContact O-N 3.27Å; Y73-R96 WeakPolarHBondContact OH-CB 3.15Å; Y73-R96 WeakPolarHBondContact OH-CD 3.46Å; R96-Y98 HydrophobicContact CG-CD1 4.13Å; R96-N113 PolarHBondContact NE-OD1 2.88Å; R96-N113 PolarHBondContact NH2-ND2 2.83Å; R96-N113 PolarHBondContact NH2-OD1 3.4Å; R96-Q114 CarbonylContact C-O 3.58Å; R96-Q114 VanDerWaalsContact CA-O 3.28Å; R96-Q114 WeakPolarHBondContact CA-O 3.02Å; R96-Y115 HydrophobicContact CB-CD1 3.9Å; R96-Y115 HydrophobicContact CB-CE1 3.82Å; R96-Y115 HydrophobicContact CB-CG 4.42Å; R96-Y115 VanDerWaalsContact CD-CZ 3.4Å; R96-Y115 VanDerWaalsContact CD-OH 3.31Å; R96-Y115 WeakPolarHBondContact CD-OH 3.46Å; R96-Y115 HydrophobicContact CG-CD1 4.14Å; R96-Y115 HydrophobicContact CG-CD2 4.25Å; R96-Y115 HydrophobicContact CG-CE1 3.8Å; R96-Y115 HydrophobicContact CG-CE2 3.87Å; R96-Y115 HydrophobicContact CG-CG 4.37Å; R96-Y115 PolarHBondContact NE-OH 2.9Å
97M98.8Very high96.5Very high16 Ų1650.5 Ų50.58%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-117.7128.9163.8-175-74.6-66.800108.3R5 Y6 F7 H112 N113 Q114R5-M97 PolarHBondContact NH1-SD 2.81Å; Y6-M97 WeakPolarHBondContact O-CA 3.41Å; F7-M97 HydrophobicContact CD1-CB 3.97Å; F7-M97 HydrophobicContact CD1-CG 3.68Å; F7-M97 HydrophobicContact CE1-CB 4.06Å; F7-M97 HydrophobicContact CE1-CG 3.33Å; F7-M97 HydrophobicContact CZ-CG 3.93Å; M97-H112 HydrophobicContact CE-CB 3.77Å; M97-H112 HydrophobicContact SD-CB 4.06Å; M97-N113 CarbonylContact O-C 3.51Å; M97-N113 WeakPolarHBondContact O-CA 3.34Å; M97-Q114 HydrophobicContact CB-CG 4.01Å; M97-Q114 HydrophobicContact CE-CG 3.87Å; M97-Q114 PolarHBondContact N-O 2.96Å; M97-Q114 PolarHBondContact O-N 2.77Å
98Y98.8Very high96.7Very high19 Ų1950 Ų508%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-146.6157.9172.874.4-82.4000111.3Y6 Y8 R96 H112 Y158Y6-Y98 VanDerWaalsContact CB-CE1 3.41Å; Y6-Y98 AromaticContact CD2-CE2 3.92Å; Y6-Y98 HydrophobicContact CD2-CE2 3.92Å; Y6-Y98 AromaticContact CD2-CZ 3.82Å; Y6-Y98 HydrophobicContact CG-CE1 4.2Å; Y6-Y98 HydrophobicContact CG-CE2 4.35Å; Y6-Y98 AromaticContact CG-CZ 3.8Å; Y6-Y98 PolarHBondContact N-O 3.14Å; Y6-Y98 PolarHBondContact O-N 3.2Å; Y6-Y98 VanDerWaalsContact O-N 3.08Å; Y8-Y98 HydrophobicContact CD1-CE1 4.48Å; Y8-Y98 HydrophobicContact CD2-CE1 4.28Å; Y8-Y98 AromaticContact CE1-CE1 3.91Å; Y8-Y98 HydrophobicContact CE1-CE1 3.91Å; Y8-Y98 AromaticContact CE2-CE1 3.71Å; Y8-Y98 HydrophobicContact CE2-CE1 3.71Å; Y8-Y98 AromaticContact CZ-CE1 3.51Å; Y8-Y98 AromaticContact CZ-CZ 3.94Å; Y8-Y98 PolarHBondContact OH-OH 2.83Å; R96-Y98 HydrophobicContact CG-CD1 4.13Å; Y98-H112 CarbonylContact C-O 3.57Å; Y98-H112 WeakPolarHBondContact CA-O 3.21Å; Y98-H112 VanDerWaalsContact CB-O 3.27Å; Y98-H112 WeakPolarHBondContact CB-O 3.49Å; Y98-Y158 AromaticContact CD2-CE1 3.8Å; Y98-Y158 HydrophobicContact CD2-CE1 3.8Å; Y98-Y158 AromaticContact CE2-CE1 3.63Å; Y98-Y158 HydrophobicContact CE2-CE1 3.63Å; Y98-Y158 AromaticContact CE2-CZ 3.89Å
99G98.8Very high97Very high0 Ų048.9 Ų48.90%027%0.274CS..EExtended strand (participates in β ladder)trans156.9-175.4-177.600000113.3M4 H112 L159M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.5Å; G99-H112 PolarHBondContact N-O 3.19Å; G99-H112 PolarHBondContact O-N 2.86Å; G99-L159 WeakPolarHBondContact O-CD2 3.36Å
100C98.8Very high97.3Very high0 Ų049.1 Ų49.10%026%0.256CS..EExtended strand (participates in β ladder)trans-132.4152.2-174.854.20000111.2S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.26Å; M4-C100 PolarHBondContact N-O 2.88Å; M4-C100 PolarHBondContact O-N 3.35Å; C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.15Å; C100-R110 CarbonylContact C-O 3.55Å; C100-R110 VanDerWaalsContact CA-O 3.32Å; C100-R110 WeakPolarHBondContact CA-O 3.27Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.18Å; C100-C163 PolarHBondContact N-SG 3.45Å; C100-C163 WeakPolarHBondContact SG-CB 3.25Å; C100-C163 PolarHBondContact SG-O 2.79Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.85Å
101D98.6Very high97.6Very high25 Ų2548.4 Ų48.413%0.13425%0.249CC..EExtended strand (participates in β ladder)trans-114.6141174.9-51.9-29.3000109.4H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.44Å; H2-D101 WeakPolarHBondContact O-CA 3.09Å; S3-D101 VanDerWaalsContact CB-OD1 3.24Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å; R5-D101 IonicContact CZ-OD1 3.35Å; R5-D101 IonicContact NE-OD1 3.4Å; R5-D101 PolarHBondContact NE-OD1 3.39Å; R5-D101 IonicContact NH2-OD1 3.55Å; R5-D101 PolarHBondContact NH2-OD1 3.41Å; R5-D101 IonicContact NH2-OD2 3.45Å; R5-D101 PolarHBondContact NH2-OD2 2.82Å; D101-L109 HydrophobicContact CB-CB 4.44Å; D101-L109 WeakPolarHBondContact O-CB 3.45Å; D101-L109 PolarHBondContact O-N 3.23Å; D101-R110 HydrophobicContact CB-CB 4.41Å; D101-R110 PolarHBondContact N-O 2.94Å; D101-R110 PolarHBondContact O-N 2.87Å; D101-H112 IonicContact OD1-CD2 2.68Å; D101-H112 IonicContact OD1-NE2 3.57Å; D101-H112 IonicContact OD2-CD2 3.9Å; D101-H112 IonicContact OD2-CE1 2.76Å; D101-H112 IonicContact OD2-NE2 3.3Å; D101-H112 PolarHBondContact OD2-NE2 2.86Å
102L98.4Very high97.7Very high3 Ų346.2 Ų46.22%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-106.9135.9170.6-58.4-179.2000110.6S1 H2 R107 V164 L167 R168 L171S1-L102 WeakPolarHBondContact CA-O 3.44Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.25Å; H2-L102 PolarHBondContact N-O 3.33Å; H2-L102 VanDerWaalsContact N-O 3.13Å; H2-L102 PolarHBondContact O-N 2.93Å; L102-R107 CarbonylContact C-O 3.57Å; L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.23Å; L102-V164 HydrophobicContact CD2-CB 4.33Å; L102-V164 HydrophobicContact CD2-CG1 3.82Å; L102-V164 HydrophobicContact CD2-CG2 3.96Å; L102-L167 HydrophobicContact CD1-CB 4.47Å; L102-L167 HydrophobicContact CD1-CD2 3.83Å; L102-L167 HydrophobicContact CD1-CG 3.83Å; L102-L167 HydrophobicContact CG-CD2 3.67Å; L102-L167 HydrophobicContact CG-CG 4.26Å; L102-R168 HydrophobicContact CD1-CG 3.99Å; L102-L171 HydrophobicContact CD1-CD1 4.34Å
103G97.4Very high97.7Very high5 Ų545.5 Ų45.55%0.05223%0.228CC..  trans-66.6173.8170.200000112.4D105 G106 R107G103-D105 PolarHBondContact O-N 2.87Å; G103-G106 PolarHBondContact O-N 2.88Å; G103-R107 PolarHBondContact N-O 2.9Å
104P94.1Very high97.7Very high120 Ų12047 Ų4778%0.77923%0.233SC*.THydrogen-bonded Turntrans-59.2-25.1175.3-23.133.9000113.9S1 G106S1-P104 WeakPolarHBondContact OG-CD 3.46Å; P104-G106 PolarHBondContact O-N 3.23Å
105D93.8Very high97.7Very high94 Ų9448.3 Ų48.350%0.50324%0.238SC..THydrogen-bonded Turntrans-82.34.3175.568.9-15.3000113.4G103 R107G103-D105 PolarHBondContact O-N 2.87Å; D105-R107 PolarHBondContact O-N 2.86Å; D105-R107 WeakPolarHBondContact OD1-CB 3.1Å; D105-R107 PolarHBondContact OD1-N 3.23Å; D105-R107 VanDerWaalsContact OD1-N 3.12Å; D105-R107 WeakPolarHBondContact OD2-CD 3.44Å; D105-R107 WeakPolarHBondContact OD2-CG 3.42Å; D105-R107 IonicContact OD2-CZ 3.51Å; D105-R107 IonicContact OD2-NE 3.4Å; D105-R107 PolarHBondContact OD2-NE 3.12Å; D105-R107 IonicContact OD2-NH1 2.78Å; D105-R107 PolarHBondContact OD2-NH1 2.84Å
106G92.3Very high97.7Very high27 Ų2745.3 Ų45.328%0.27823%0.227SC..SBendtrans71.610.9-179.500000114.1G103 P104 R168G103-G106 PolarHBondContact O-N 2.88Å; P104-G106 PolarHBondContact O-N 3.23Å; G106-R168 PolarHBondContact O-NE 3.24Å; G106-R168 PolarHBondContact O-NH2 3.38Å
107R96.5Very high97.7Very high168 Ų16844.4 Ų44.463%0.63422%0.224SC*.SBendtrans-91.3157176.5-60.3-172.1-168135.8-8.9111.4L102 G103 D105 L109L102-R107 CarbonylContact C-O 3.57Å; L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.23Å; G103-R107 PolarHBondContact N-O 2.9Å; D105-R107 PolarHBondContact O-N 2.86Å; D105-R107 WeakPolarHBondContact OD1-CB 3.1Å; D105-R107 PolarHBondContact OD1-N 3.23Å; D105-R107 VanDerWaalsContact OD1-N 3.12Å; D105-R107 WeakPolarHBondContact OD2-CD 3.44Å; D105-R107 WeakPolarHBondContact OD2-CG 3.42Å; D105-R107 IonicContact OD2-CZ 3.51Å; D105-R107 IonicContact OD2-NE 3.4Å; D105-R107 PolarHBondContact OD2-NE 3.12Å; D105-R107 IonicContact OD2-NH1 2.78Å; D105-R107 PolarHBondContact OD2-NH1 2.84Å; R107-L109 PolarHBondContact O-N 2.76Å
108F98.3Very high97.7Very high66 Ų6646.7 Ų46.729%0.28924%0.236SC..EExtended strand (participates in β ladder)trans-54.3125174.5178.7-100.1000110.1C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.15Å; F108-R110 WeakPolarHBondContact CE2-O 3.18Å; F108-G111 VanDerWaalsContact CZ-N 3.25Å; F108-L129 HydrophobicContact CE1-CD1 4.06Å; F108-L129 HydrophobicContact CZ-CD1 3.73Å; F108-L159 HydrophobicContact CE2-CB 4.46Å; F108-L159 WeakPolarHBondContact CE2-O 3.28Å; F108-E160 HydrophobicContact CD1-CG 4.3Å; F108-E160 HydrophobicContact CE1-CG 4.05Å; F108-E160 HydrophobicContact CE2-CG 4.41Å; F108-E160 HydrophobicContact CZ-CG 4.1Å; F108-V164 HydrophobicContact CB-CG2 4.09Å; F108-V164 HydrophobicContact CD2-CG2 3.68Å; F108-V164 HydrophobicContact CG-CG2 4.36Å
109L98.2Very high97.6Very high115 Ų11548.6 Ų48.660%0.60226%0.262SS*.EExtended strand (participates in β ladder)trans-107.1-48.7177.7177.663000110.9D101 R107D101-L109 HydrophobicContact CB-CB 4.44Å; D101-L109 WeakPolarHBondContact O-CB 3.45Å; D101-L109 PolarHBondContact O-N 3.23Å; R107-L109 PolarHBondContact O-N 2.76Å
110R98Very high97.6Very high93 Ų9356.4 Ų56.435%0.35130%0.296SS..EExtended strand (participates in β ladder)trans-156.8146.1-174.1-172.3173.8178131.61.3111.7C100 D101 F108 H112 E127C100-R110 CarbonylContact C-O 3.55Å; C100-R110 VanDerWaalsContact CA-O 3.32Å; C100-R110 WeakPolarHBondContact CA-O 3.27Å; D101-R110 HydrophobicContact CB-CB 4.41Å; D101-R110 PolarHBondContact N-O 2.94Å; D101-R110 PolarHBondContact O-N 2.87Å; F108-R110 WeakPolarHBondContact CE2-O 3.18Å; R110-H112 VanDerWaalsContact CD-CE1 3.42Å; R110-H112 WeakPolarHBondContact CD-CE1 3.36Å; R110-H112 PolarHBondContact NE-CE1 3.43Å; R110-H112 VanDerWaalsContact NE-CE1 3.26Å; R110-E127 VanDerWaalsContact CZ-CG 3.42Å; R110-E127 IonicContact CZ-OE1 2.64Å; R110-E127 IonicContact NH1-OE1 2.79Å; R110-E127 PolarHBondContact NH1-OE1 2.87Å; R110-E127 IonicContact NH1-OE2 3.19Å; R110-E127 PolarHBondContact NH1-OE2 3.49Å; R110-E127 IonicContact NH2-OE1 3.72Å; R110-E127 PolarHBondContact NH2-OE1 3.33Å
111G98.6Very high97.6Very high5 Ų562.6 Ų62.65%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-112.1150.2170.800000110.9F108F108-G111 VanDerWaalsContact CZ-N 3.25Å
112H98.7Very high97.6Very high25 Ų2561.9 Ų61.912%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-132.4138-178.5-57.2-94.5000109.9R5 M97 Y98 G99 D101 R110R5-H112 VanDerWaalsContact CZ-CD2 3.46Å; R5-H112 PolarHBondContact NH2-CD2 3.26Å; R5-H112 VanDerWaalsContact NH2-CD2 3.32Å; R5-H112 PolarHBondContact NH2-CE1 3.16Å; R5-H112 PolarHBondContact NH2-NE2 2.92Å; M97-H112 HydrophobicContact CE-CB 3.77Å; M97-H112 HydrophobicContact SD-CB 4.06Å; Y98-H112 CarbonylContact C-O 3.57Å; Y98-H112 WeakPolarHBondContact CA-O 3.21Å; Y98-H112 VanDerWaalsContact CB-O 3.27Å; Y98-H112 WeakPolarHBondContact CB-O 3.49Å; G99-H112 PolarHBondContact N-O 3.19Å; G99-H112 PolarHBondContact O-N 2.86Å; D101-H112 IonicContact OD1-CD2 2.68Å; D101-H112 IonicContact OD1-NE2 3.57Å; D101-H112 IonicContact OD2-CD2 3.9Å; D101-H112 IonicContact OD2-CE1 2.76Å; D101-H112 IonicContact OD2-NE2 3.3Å; D101-H112 PolarHBondContact OD2-NE2 2.86Å; R110-H112 VanDerWaalsContact CD-CE1 3.42Å; R110-H112 WeakPolarHBondContact CD-CE1 3.36Å; R110-H112 PolarHBondContact NE-CE1 3.43Å; R110-H112 VanDerWaalsContact NE-CE1 3.26Å
113N98.8Very high97.7Very high3 Ų361.9 Ų61.92%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-155.8107163.7-173.827.7000109.5R96 M97 Y115 L125 L155R96-N113 PolarHBondContact NE-OD1 2.88Å; R96-N113 PolarHBondContact NH2-ND2 2.83Å; R96-N113 PolarHBondContact NH2-OD1 3.4Å; M97-N113 CarbonylContact O-C 3.51Å; M97-N113 WeakPolarHBondContact O-CA 3.34Å; N113-Y115 WeakPolarHBondContact OD1-CE2 3.38Å; N113-L125 HydrophobicContact CB-CB 3.98Å; N113-L125 HydrophobicContact CB-CD2 4.2Å; N113-L125 PolarHBondContact O-N 3.36Å; N113-L155 WeakPolarHBondContact ND2-CD1 3.2Å; N113-L155 WeakPolarHBondContact ND2-CD2 3.22Å
114Q98.7Very high97.7Very high88 Ų8863.1 Ų63.141%0.41133%0.334SS..EExtended strand (participates in β ladder)trans-135145-176.767.9-164.819.300111.1R96 M97 A124R96-Q114 CarbonylContact C-O 3.58Å; R96-Q114 VanDerWaalsContact CA-O 3.28Å; R96-Q114 WeakPolarHBondContact CA-O 3.02Å; M97-Q114 HydrophobicContact CB-CG 4.01Å; M97-Q114 HydrophobicContact CE-CG 3.87Å; M97-Q114 PolarHBondContact N-O 2.96Å; M97-Q114 PolarHBondContact O-N 2.77Å; Q114-A124 HydrophobicContact CB-CB 3.96Å
115Y98.8Very high98Very high32 Ų3258.1 Ų58.113%0.12530%0.301CS..EExtended strand (participates in β ladder)trans-120.9143.3179.6-69.6-105.5000110.2Y73 I94 Q95 R96 N113 Y122 I123 W146Y73-Y115 HydrophobicContact CE1-CE1 4.3Å; Y73-Y115 WeakPolarHBondContact OH-CE1 3.45Å; I94-Y115 HydrophobicContact CD1-CD1 4.16Å; I94-Y115 HydrophobicContact CG1-CD1 4.48Å; Q95-Y115 CarbonylContact O-C 3.51Å; Q95-Y115 VanDerWaalsContact O-CA 3.23Å; Q95-Y115 WeakPolarHBondContact O-CA 3.31Å; R96-Y115 HydrophobicContact CB-CD1 3.9Å; R96-Y115 HydrophobicContact CB-CE1 3.82Å; R96-Y115 HydrophobicContact CB-CG 4.42Å; R96-Y115 VanDerWaalsContact CD-CZ 3.4Å; R96-Y115 VanDerWaalsContact CD-OH 3.31Å; R96-Y115 WeakPolarHBondContact CD-OH 3.46Å; R96-Y115 HydrophobicContact CG-CD1 4.14Å; R96-Y115 HydrophobicContact CG-CD2 4.25Å; R96-Y115 HydrophobicContact CG-CE1 3.8Å; R96-Y115 HydrophobicContact CG-CE2 3.87Å; R96-Y115 HydrophobicContact CG-CG 4.37Å; R96-Y115 PolarHBondContact NE-OH 2.9Å; N113-Y115 WeakPolarHBondContact OD1-CE2 3.38Å; Y115-Y122 WeakPolarHBondContact O-CB 3.3Å; Y115-Y122 PolarHBondContact O-N 3.32Å; Y115-I123 HydrophobicContact CD2-CG2 4.13Å; Y115-I123 HydrophobicContact CG-CG2 4.4Å; Y115-I123 PolarHBondContact N-O 2.96Å; Y115-I123 PolarHBondContact O-N 3.32Å; Y115-W146 AromaticContact CD2-CH2 3.9Å; Y115-W146 HydrophobicContact CD2-CH2 3.9Å; Y115-W146 HydrophobicContact CD2-CZ3 4.33Å; Y115-W146 HydrophobicContact CE1-CH2 4.49Å; Y115-W146 AromaticContact CE2-CH2 3.46Å; Y115-W146 HydrophobicContact CE2-CH2 3.46Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.46Å; Y115-W146 HydrophobicContact CE2-CZ3 4.05Å; Y115-W146 AromaticContact CZ-CH2 3.77Å
116A98.9Very high98.2Very high17 Ų1755.7 Ų55.714%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-124.9148.9170.700000110.1I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.45Å; Q95-A116 HydrophobicContact CB-CB 4.39Å; Q95-A116 PolarHBondContact N-O 3.34Å; Q95-A116 PolarHBondContact O-N 3.47Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.45Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.16Å
117Y98.8Very high98.5Very high11 Ų1160.8 Ų60.84%0.04330%0.304CS..EExtended strand (participates in β ladder)trans-128.6127.4174.2-173.2-123.2000109.8L77 L80 Y84 Q86 H92 I93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.24Å; L80-Y117 HydrophobicContact CB-CD1 4.44Å; L80-Y117 HydrophobicContact CB-CD2 4.22Å; L80-Y117 HydrophobicContact CB-CE1 4.05Å; L80-Y117 HydrophobicContact CB-CE2 3.83Å; L80-Y117 HydrophobicContact CD1-CD2 3.57Å; L80-Y117 HydrophobicContact CD1-CE2 3.89Å; L80-Y117 HydrophobicContact CD1-CG 4.03Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; Y84-Y117 AromaticContact CD2-CD1 3.66Å; Y84-Y117 HydrophobicContact CD2-CD1 3.66Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.44Å; Y84-Y117 HydrophobicContact CE2-CD1 3.44Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.44Å; Y84-Y117 AromaticContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CG 4.44Å; Y84-Y117 HydrophobicContact CG-CE1 4.3Å; Q86-Y117 PolarHBondContact OE1-OH 2.92Å; H92-Y117 HydrophobicContact CB-CE2 3.84Å; H92-Y117 WeakPolarHBondContact CB-OH 3.42Å; H92-Y117 VanDerWaalsContact CG-OH 3.26Å; H92-Y117 AromaticContact ND1-CZ 4Å; H92-Y117 PolarHBondContact ND1-OH 2.85Å; I93-Y117 CarbonylContact O-C 3.59Å; I93-Y117 WeakPolarHBondContact O-CA 3.17Å; I93-Y117 VanDerWaalsContact O-CD2 3.22Å; I93-Y117 WeakPolarHBondContact O-CD2 3.36Å; I94-Y117 HydrophobicContact CB-CD2 4.27Å; Y117-G119 PolarHBondContact O-N 3Å; Y117-G119 VanDerWaalsContact O-N 3.16Å; Y117-K120 PolarHBondContact N-O 3.49Å; Y117-K120 PolarHBondContact O-N 3.29Å
118D98.3Very high98.5Very high65 Ų6556.6 Ų56.635%0.34829%0.294SS..THydrogen-bonded Turntrans48.639.9-174.6-65.1-21.3000113.3H92 I93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.17Å; H92-D118 WeakPolarHBondContact CB-OD1 3.25Å; H92-D118 IonicContact CE1-OD2 3.64Å; H92-D118 IonicContact CG-OD1 3.16Å; H92-D118 IonicContact CG-OD2 3.73Å; H92-D118 IonicContact ND1-OD1 2.92Å; H92-D118 IonicContact ND1-OD2 3.23Å; H92-D118 PolarHBondContact ND1-OD2 3.43Å; I93-D118 PolarHBondContact N-OD1 2.98Å; I93-D118 PolarHBondContact O-N 3.38Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.23Å
119G97.7Very high98.5Very high59 Ų5953.8 Ų53.861%0.60828%0.282SS*.THydrogen-bonded Turntrans78.85.9177.300000115.4Y117Y117-G119 PolarHBondContact O-N 3Å; Y117-G119 VanDerWaalsContact O-N 3.16Å
120K98.6Very high98.5Very high163 Ų16351.7 Ų51.771%0.70928%0.278SS*.EExtended strand (participates in β ladder)trans-112.5148.8176.1-64.9179.2179.8178.60110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.45Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.16Å; Y117-K120 PolarHBondContact N-O 3.49Å; Y117-K120 PolarHBondContact O-N 3.29Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.23Å; K120-Y122 PolarHBondContact O-N 3.26Å
121D98.8Very high98.6Very high131 Ų13149 Ų4970%0.70127%0.273SS*.EExtended strand (participates in β ladder)trans-54.9137.3174-68.6-14.7000110.7A135D121-A135 HydrophobicContact CB-CB 4.28Å; D121-A135 WeakPolarHBondContact O-CB 3.38Å
122Y98.8Very high98.6Very high9 Ų949.3 Ų49.34%0.03527%0.273CS..EExtended strand (participates in β ladder)trans-115.2-65.4178.5-179.1-109.5000110.4L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.45Å; L80-Y122 HydrophobicContact CD2-CD2 4.13Å; L80-Y122 HydrophobicContact CD2-CE1 3.85Å; L80-Y122 HydrophobicContact CD2-CE2 3.46Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.46Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.43Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.05Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.32Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.48Å; Y115-Y122 WeakPolarHBondContact O-CB 3.3Å; Y115-Y122 PolarHBondContact O-N 3.32Å; K120-Y122 PolarHBondContact O-N 3.26Å; Y122-A135 WeakPolarHBondContact O-CB 3.42Å; Y122-A135 PolarHBondContact O-N 2.89Å; Y122-A138 HydrophobicContact CE2-CB 4.46Å; Y122-A138 PolarHBondContact OH-O 3.2Å; Y122-A139 HydrophobicContact CD2-CB 3.82Å; Y122-A139 HydrophobicContact CE1-CB 4.42Å; Y122-A139 HydrophobicContact CE2-CB 3.69Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.24Å; Y122-T142 HydrophobicContact CE1-CG2 4.24Å; Y122-T142 PolarHBondContact OH-OG1 2.93Å
123I98.9Very high98.6Very high4 Ų451.8 Ų51.82%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-150141178.3-163173.8000110.7Y115 W132 T133 T142 Q143 W146Y115-I123 HydrophobicContact CD2-CG2 4.13Å; Y115-I123 HydrophobicContact CG-CG2 4.4Å; Y115-I123 PolarHBondContact N-O 2.96Å; Y115-I123 PolarHBondContact O-N 3.32Å; I123-W132 HydrophobicContact CD1-CB 4.19Å; I123-W132 HydrophobicContact CD1-CD2 4.36Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CD1-CG 4.39Å; I123-W132 HydrophobicContact CG1-CB 4.31Å; I123-W132 HydrophobicContact CG1-CE3 4.04Å; I123-T133 WeakPolarHBondContact CA-O 3.5Å; I123-T133 WeakPolarHBondContact CG1-O 3.49Å; I123-T142 HydrophobicContact CD1-CG2 4.15Å; I123-Q143 HydrophobicContact CD1-CB 3.85Å; I123-W146 HydrophobicContact CD1-CE3 4.16Å; I123-W146 HydrophobicContact CD1-CZ3 4.37Å; I123-W146 HydrophobicContact CG2-CH2 4.1Å; I123-W146 HydrophobicContact CG2-CZ3 3.76Å
124A98.9Very high98.6Very high31 Ų3152.7 Ų52.726%0.25630%0.298SS..EExtended strand (participates in β ladder)trans-132.3140.6178.600000111.9Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.96Å; A124-W132 WeakPolarHBondContact O-CA 3.38Å; A124-T133 PolarHBondContact N-O 2.93Å; A124-T133 PolarHBondContact O-N 2.81Å
125L98.9Very high98.6Very high14 Ų1451.3 Ų51.37%0.07330%0.301CS..EExtended strand (participates in β ladder)trans-72.8128.1168.7-177.265.3000108.5N113 L129 W132 A152 L155 L159N113-L125 HydrophobicContact CB-CB 3.98Å; N113-L125 HydrophobicContact CB-CD2 4.2Å; N113-L125 PolarHBondContact O-N 3.36Å; L125-L129 HydrophobicContact CD2-CD2 3.83Å; L125-L129 HydrophobicContact CG-CD2 4.31Å; L125-W132 HydrophobicContact CB-CE3 4.04Å; L125-W132 HydrophobicContact CB-CH2 4.17Å; L125-W132 HydrophobicContact CB-CZ3 3.69Å; L125-W132 HydrophobicContact CD1-CD2 4.27Å; L125-W132 HydrophobicContact CD1-CE3 4.34Å; L125-W132 HydrophobicContact CD1-CH2 4.13Å; L125-W132 HydrophobicContact CD1-CZ2 4.02Å; L125-W132 HydrophobicContact CD1-CZ3 4.26Å; L125-A152 HydrophobicContact CD1-CB 3.97Å; L125-L155 HydrophobicContact CD2-CB 4.17Å; L125-L155 HydrophobicContact CD2-CD1 4.38Å; L125-L159 HydrophobicContact CD2-CD1 3.86Å
126N98.8Very high98.5Very high43 Ų4352.3 Ų52.323%0.2331%0.309CS..  trans-73.3165.3179.6-66.5-26.5000111.4D128 L129 S131 W132 T133N126-D128 PolarHBondContact O-N 2.82Å; N126-D128 VanDerWaalsContact O-N 3.14Å; N126-L129 PolarHBondContact O-N 3.05Å; N126-S131 WeakPolarHBondContact CB-O 3.34Å; N126-S131 WeakPolarHBondContact CB-OG 3.33Å; N126-S131 PolarHBondContact N-O 3Å; N126-S131 PolarHBondContact ND2-OG 2.66Å; N126-W132 PolarHBondContact ND2-N 3.23Å; N126-T133 PolarHBondContact ND2-OG1 2.99Å; N126-T133 WeakPolarHBondContact OD1-CB 3.16Å; N126-T133 PolarHBondContact OD1-OG1 3.19Å
127E98Very high98.5Very high134 Ų13456.7 Ų56.763%0.62633%0.334SS*.THydrogen-bonded Turntrans-60.4-24.6-178-66.3-176.6-162.200113.9R110 L129R110-E127 VanDerWaalsContact CZ-CG 3.42Å; R110-E127 IonicContact CZ-OE1 2.64Å; R110-E127 IonicContact NH1-OE1 2.79Å; R110-E127 PolarHBondContact NH1-OE1 2.87Å; R110-E127 IonicContact NH1-OE2 3.19Å; R110-E127 PolarHBondContact NH1-OE2 3.49Å; R110-E127 IonicContact NH2-OE1 3.72Å; R110-E127 PolarHBondContact NH2-OE1 3.33Å; E127-L129 PolarHBondContact O-N 3.48Å
128D98.1Very high98.5Very high80 Ų8056.4 Ų56.443%0.42833%0.334SS..THydrogen-bonded Turntrans-70.7-7.9174.966.921.2000113.8N126 S130 S131N126-D128 PolarHBondContact O-N 2.82Å; N126-D128 VanDerWaalsContact O-N 3.14Å; D128-S130 PolarHBondContact O-N 2.62Å; D128-S130 VanDerWaalsContact O-N 3.13Å; D128-S130 WeakPolarHBondContact OD1-CA 3.12Å; D128-S130 PolarHBondContact OD1-N 3.15Å; D128-S130 PolarHBondContact OD1-OG 2.89Å; D128-S130 PolarHBondContact OD2-OG 2.84Å; D128-S131 VanDerWaalsContact CG-OG 3.26Å; D128-S131 PolarHBondContact OD1-N 3.37Å; D128-S131 PolarHBondContact OD1-OG 2.78Å; D128-S131 WeakPolarHBondContact OD2-CB 3.36Å; D128-S131 PolarHBondContact OD2-OG 3.13Å
129L98.5Very high98.5Very high7 Ų753.3 Ų53.34%0.03732%0.317CS..SBendtrans53.527.6-176.8-50.3179000114.1F108 L125 N126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.06Å; F108-L129 HydrophobicContact CZ-CD1 3.73Å; L125-L129 HydrophobicContact CD2-CD2 3.83Å; L125-L129 HydrophobicContact CG-CD2 4.31Å; N126-L129 PolarHBondContact O-N 3.05Å; E127-L129 PolarHBondContact O-N 3.48Å; L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 4Å; L129-R156 HydrophobicContact CD1-CG 4.14Å; L129-L159 HydrophobicContact CD2-CD1 4.01Å; L129-E160 HydrophobicContact CD1-CG 4.08Å
130S98.1Very high98.5Very high72 Ų7254 Ų5450%0.50331%0.305SS..SBendtrans-137-25.3-175.169.20000113.2D128D128-S130 PolarHBondContact O-N 2.62Å; D128-S130 VanDerWaalsContact O-N 3.13Å; D128-S130 WeakPolarHBondContact OD1-CA 3.12Å; D128-S130 PolarHBondContact OD1-N 3.15Å; D128-S130 PolarHBondContact OD1-OG 2.89Å; D128-S130 PolarHBondContact OD2-OG 2.84Å
131S98.4Very high98.5Very high37 Ų3749.2 Ų49.226%0.25929%0.286SS..  trans-120164.2-178.870.40000112.4N126 D128N126-S131 WeakPolarHBondContact CB-O 3.34Å; N126-S131 WeakPolarHBondContact CB-OG 3.33Å; N126-S131 PolarHBondContact N-O 3Å; N126-S131 PolarHBondContact ND2-OG 2.66Å; D128-S131 VanDerWaalsContact CG-OG 3.26Å; D128-S131 PolarHBondContact OD1-N 3.37Å; D128-S131 PolarHBondContact OD1-OG 2.78Å; D128-S131 WeakPolarHBondContact OD2-CB 3.36Å; D128-S131 PolarHBondContact OD2-OG 3.13Å
132W98.8Very high98.5Very high10 Ų1043.7 Ų43.74%0.03826%0.257CS..EExtended strand (participates in β ladder)trans-122.9146.2-175.5-60.492.4000111.4I123 A124 L125 N126 Q143 W146 V151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.19Å; I123-W132 HydrophobicContact CD1-CD2 4.36Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CD1-CG 4.39Å; I123-W132 HydrophobicContact CG1-CB 4.31Å; I123-W132 HydrophobicContact CG1-CE3 4.04Å; A124-W132 WeakPolarHBondContact O-CA 3.38Å; L125-W132 HydrophobicContact CB-CE3 4.04Å; L125-W132 HydrophobicContact CB-CH2 4.17Å; L125-W132 HydrophobicContact CB-CZ3 3.69Å; L125-W132 HydrophobicContact CD1-CD2 4.27Å; L125-W132 HydrophobicContact CD1-CE3 4.34Å; L125-W132 HydrophobicContact CD1-CH2 4.13Å; L125-W132 HydrophobicContact CD1-CZ2 4.02Å; L125-W132 HydrophobicContact CD1-CZ3 4.26Å; N126-W132 PolarHBondContact ND2-N 3.23Å; W132-Q143 HydrophobicContact CB-CG 4.08Å; W132-Q143 PolarHBondContact O-NE2 2.62Å; W132-W146 HydrophobicContact CD2-CE3 4Å; W132-W146 AromaticContact CE2-CE3 3.81Å; W132-W146 AromaticContact CE3-CE3 3.85Å; W132-W146 HydrophobicContact CE3-CE3 3.85Å; W132-W146 AromaticContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CH2-CD2 4.39Å; W132-W146 AromaticContact CH2-CE3 3.25Å; W132-W146 HydrophobicContact CH2-CE3 3.25Å; W132-W146 HydrophobicContact CH2-CH2 4.49Å; W132-W146 AromaticContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CZ2-CD2 4.32Å; W132-W146 AromaticContact CZ2-CE3 3.44Å; W132-W146 HydrophobicContact CZ2-CE3 3.44Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.44Å; W132-W146 HydrophobicContact CZ2-CZ3 4.04Å; W132-W146 AromaticContact CZ3-CE3 3.5Å; W132-W146 HydrophobicContact CZ3-CE3 3.5Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.5Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; W132-V151 HydrophobicContact CZ2-CB 4.32Å; W132-V151 HydrophobicContact CZ2-CG1 4.11Å; W132-A152 HydrophobicContact CZ2-CB 4.23Å; W132-L155 HydrophobicContact CH2-CD1 3.33Å; W132-L155 HydrophobicContact CZ2-CD1 3.75Å; W132-L155 HydrophobicContact CZ3-CD1 4.47Å
133T98.8Very high98.5Very high78 Ų7845.1 Ų45.148%0.47926%0.264SS..EExtended strand (participates in β ladder)trans-108.1116165.2-64.60000108.9I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.5Å; I123-T133 WeakPolarHBondContact CG1-O 3.49Å; A124-T133 PolarHBondContact N-O 2.93Å; A124-T133 PolarHBondContact O-N 2.81Å; N126-T133 PolarHBondContact ND2-OG1 2.99Å; N126-T133 WeakPolarHBondContact OD1-CB 3.16Å; N126-T133 PolarHBondContact OD1-OG1 3.19Å
134A98.8Very high98.5Very high22 Ų2252.6 Ų52.618%0.18229%0.292CS..EExtended strand (participates in β ladder)trans-95.4133.3174.400000110.5A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.74Å; A134-Q140 HydrophobicContact CB-CG 3.93Å; A134-Q143 HydrophobicContact CB-CB 4.41Å
135A98.6Very high98.5Very high59 Ų5956.4 Ų56.449%0.48830%0.303SS..SBendtrans-76.9-30.2-175.800000113.5D121 Y122D121-A135 HydrophobicContact CB-CB 4.28Å; D121-A135 WeakPolarHBondContact O-CB 3.38Å; Y122-A135 WeakPolarHBondContact O-CB 3.42Å; Y122-A135 PolarHBondContact O-N 2.89Å
136D98.3Very high98.5Very high53 Ų5358.4 Ų58.428%0.28331%0.31SS..SBendtrans-150.5-176.9-178.565.326.3000112.7Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.24Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 3.38Å; Y84-D136 PolarHBondContact OH-OD2 3.29Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 3.19Å; D136-A138 WeakPolarHBondContact OD1-CA 3.4Å; D136-A138 WeakPolarHBondContact OD1-CB 3.47Å; D136-A138 PolarHBondContact OD1-N 2.92Å; D136-A139 PolarHBondContact O-N 3.47Å; D136-A139 PolarHBondContact OD1-N 3.45Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 3.02Å
137T98.1Very high98.5Very high109 Ų10960.7 Ų60.767%0.66932%0.319SS*.Hα-helixtrans-66.1-28.6-179.151.50000113.4
138A97.9Very high98.5Very high5 Ų558.5 Ų58.54%0.04132%0.323CS..Hα-helixtrans-70.5-44.5174.300000110.3Y84 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 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å; Y122-A138 HydrophobicContact CE2-CB 4.46Å; Y122-A138 PolarHBondContact OH-O 3.2Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 3.19Å; D136-A138 WeakPolarHBondContact OD1-CA 3.4Å; D136-A138 WeakPolarHBondContact OD1-CB 3.47Å; D136-A138 PolarHBondContact OD1-N 2.92Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 2.83Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 2.97Å; A138-I141 PolarHBondContact O-N 3.26Å
139A98.6Very high98.5Very high0 Ų057.5 Ų57.50%033%0.326CS..Hα-helixtrans-61.6-33174.700000113.3Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.82Å; Y122-A139 HydrophobicContact CE1-CB 4.42Å; Y122-A139 HydrophobicContact CE2-CB 3.69Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.24Å; A134-A139 HydrophobicContact CB-CB 3.74Å; D136-A139 PolarHBondContact O-N 3.47Å; D136-A139 PolarHBondContact OD1-N 3.45Å; A139-I141 PolarHBondContact O-N 3.13Å; A139-T142 WeakPolarHBondContact O-CB 3.46Å; A139-T142 PolarHBondContact O-N 3.48Å; A139-Q143 PolarHBondContact O-N 3.5Å
140Q98.8Very high98.5Very high74 Ų7464.7 Ų64.735%0.34635%0.353SS..Hα-helixtrans-61.1-27.8173.5-73.1174.5600112.9A134 D136 A138 Q143 R144A134-Q140 HydrophobicContact CB-CG 3.93Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 3.02Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 2.83Å; Q140-Q143 PolarHBondContact O-N 3.11Å; Q140-R144 WeakPolarHBondContact O-CG 3.39Å; Q140-R144 PolarHBondContact O-N 3.46Å; Q140-R144 VanDerWaalsContact O-N 3.11Å
141I98.4Very high98.5Very high61 Ų6162.6 Ų62.631%0.31334%0.337SS..Hα-helixtrans-65.3-45173.6-57.8171.4000109.7Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.26Å; Y83-I141 HydrophobicContact CE1-CG2 4.25Å; Y83-I141 HydrophobicContact CE2-CB 4.24Å; Y83-I141 HydrophobicContact CE2-CG2 4.04Å; Y83-I141 HydrophobicContact CG-CD1 4.24Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 2.97Å; A138-I141 PolarHBondContact O-N 3.26Å; A139-I141 PolarHBondContact O-N 3.13Å; I141-K145 WeakPolarHBondContact O-CG 3.43Å; I141-K145 PolarHBondContact O-N 3.5Å
142T98.4Very high98.5Very high16 Ų1661.2 Ų61.210%0.09833%0.328CS..Hα-helixtrans-64.2-45.3175.1-68.30000111.3Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.24Å; Y122-T142 PolarHBondContact OH-OG1 2.93Å; I123-T142 HydrophobicContact CD1-CG2 4.15Å; A139-T142 WeakPolarHBondContact O-CB 3.46Å; A139-T142 PolarHBondContact O-N 3.48Å; T142-R144 PolarHBondContact O-N 3.46Å; T142-K145 WeakPolarHBondContact O-CB 3.37Å; T142-K145 PolarHBondContact O-N 3.41Å; T142-K145 VanDerWaalsContact O-N 3.16Å; T142-W146 HydrophobicContact CG2-CD2 3.69Å; T142-W146 HydrophobicContact CG2-CE3 4.11Å; T142-W146 HydrophobicContact CG2-CG 4.11Å; T142-W146 HydrophobicContact CG2-CH2 4.22Å; T142-W146 HydrophobicContact CG2-CZ2 3.83Å; T142-W146 HydrophobicContact CG2-CZ3 4.35Å; T142-W146 WeakPolarHBondContact O-CB 3.33Å; T142-W146 PolarHBondContact O-N 2.79Å
143Q98.8Very high98.5Very high39 Ų3965.9 Ų65.918%0.18235%0.35CS..Hα-helixtrans-52.2-53.8178.5176.8173.110.600111.7I123 W132 A134 A139 Q140 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.85Å; W132-Q143 HydrophobicContact CB-CG 4.08Å; W132-Q143 PolarHBondContact O-NE2 2.62Å; A134-Q143 HydrophobicContact CB-CB 4.41Å; A139-Q143 PolarHBondContact O-N 3.5Å; Q140-Q143 PolarHBondContact O-N 3.11Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 2.89Å; Q143-W146 PolarHBondContact O-N 3.26Å; Q143-W146 VanDerWaalsContact O-N 3.07Å; Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 VanDerWaalsContact CG-OE1 3.22Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.46Å; Q143-E147 PolarHBondContact NE2-OE1 2.77Å; Q143-E147 WeakPolarHBondContact O-CG 3.3Å; Q143-E147 PolarHBondContact O-N 3.42Å
144R98.7Very high98.4Very high160 Ų16068.4 Ų68.460%0.60436%0.357SS*.Hα-helixtrans-58.8-39.6-179.4-68.5171.5-167.61577.4112.6Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.39Å; Q140-R144 PolarHBondContact O-N 3.46Å; Q140-R144 VanDerWaalsContact O-N 3.11Å; T142-R144 PolarHBondContact O-N 3.46Å; R144-A148 WeakPolarHBondContact O-CB 3.32Å; R144-A148 PolarHBondContact O-N 3.34Å
145K98.3Very high98.4Very high112 Ų11268.4 Ų68.449%0.48735%0.353SS..Hα-helixtrans-65.8-42.5176.5-71.2177.6178.5-177.60111.6Y83 I141 T142 Q143 A149Y83-K145 PolarHBondContact OH-NZ 2.95Å; I141-K145 WeakPolarHBondContact O-CG 3.43Å; I141-K145 PolarHBondContact O-N 3.5Å; T142-K145 WeakPolarHBondContact O-CB 3.37Å; T142-K145 PolarHBondContact O-N 3.41Å; T142-K145 VanDerWaalsContact O-N 3.16Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 2.89Å; K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 3.25Å; K145-A149 PolarHBondContact O-N 3.36Å
146W98.6Very high98.4Very high55 Ų5570.9 Ų70.921%0.20835%0.35CS..Hα-helixtrans-71.9-35.7-178.4-76.99.1000112.8Y115 I123 W132 T142 Q143 A149 R150 V151Y115-W146 AromaticContact CD2-CH2 3.9Å; Y115-W146 HydrophobicContact CD2-CH2 3.9Å; Y115-W146 HydrophobicContact CD2-CZ3 4.33Å; Y115-W146 HydrophobicContact CE1-CH2 4.49Å; Y115-W146 AromaticContact CE2-CH2 3.46Å; Y115-W146 HydrophobicContact CE2-CH2 3.46Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.46Å; Y115-W146 HydrophobicContact CE2-CZ3 4.05Å; Y115-W146 AromaticContact CZ-CH2 3.77Å; I123-W146 HydrophobicContact CD1-CE3 4.16Å; I123-W146 HydrophobicContact CD1-CZ3 4.37Å; I123-W146 HydrophobicContact CG2-CH2 4.1Å; I123-W146 HydrophobicContact CG2-CZ3 3.76Å; W132-W146 HydrophobicContact CD2-CE3 4Å; W132-W146 AromaticContact CE2-CE3 3.81Å; W132-W146 AromaticContact CE3-CE3 3.85Å; W132-W146 HydrophobicContact CE3-CE3 3.85Å; W132-W146 AromaticContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CH2-CD2 4.39Å; W132-W146 AromaticContact CH2-CE3 3.25Å; W132-W146 HydrophobicContact CH2-CE3 3.25Å; W132-W146 HydrophobicContact CH2-CH2 4.49Å; W132-W146 AromaticContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CZ2-CD2 4.32Å; W132-W146 AromaticContact CZ2-CE3 3.44Å; W132-W146 HydrophobicContact CZ2-CE3 3.44Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.44Å; W132-W146 HydrophobicContact CZ2-CZ3 4.04Å; W132-W146 AromaticContact CZ3-CE3 3.5Å; W132-W146 HydrophobicContact CZ3-CE3 3.5Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.5Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; T142-W146 HydrophobicContact CG2-CD2 3.69Å; T142-W146 HydrophobicContact CG2-CE3 4.11Å; T142-W146 HydrophobicContact CG2-CG 4.11Å; T142-W146 HydrophobicContact CG2-CH2 4.22Å; T142-W146 HydrophobicContact CG2-CZ2 3.83Å; T142-W146 HydrophobicContact CG2-CZ3 4.35Å; T142-W146 WeakPolarHBondContact O-CB 3.33Å; T142-W146 PolarHBondContact O-N 2.79Å; Q143-W146 PolarHBondContact O-N 3.26Å; Q143-W146 VanDerWaalsContact O-N 3.07Å; W146-A149 CarbonylContact O-C 3.59Å; W146-A149 PolarHBondContact O-N 3.12Å; W146-R150 PolarHBondContact O-N 3.3Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.93Å; W146-V151 HydrophobicContact CD2-CB 4.48Å; W146-V151 HydrophobicContact CD2-CG1 4.24Å; W146-V151 HydrophobicContact CG-CB 4.07Å; W146-V151 HydrophobicContact CG-CG1 4.32Å; W146-V151 HydrophobicContact CG-CG2 3.87Å; W146-V151 PolarHBondContact O-N 2.84Å
147E98.7Very high98.4Very high92 Ų9271.5 Ų71.543%0.4336%0.362SS..Hα-helixtrans-64.4-48.6171.4-72.4168.9172.600110.8Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 VanDerWaalsContact CG-OE1 3.22Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.46Å; Q143-E147 PolarHBondContact NE2-OE1 2.77Å; Q143-E147 WeakPolarHBondContact O-CG 3.3Å; Q143-E147 PolarHBondContact O-N 3.42Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.42Å; E147-R150 PolarHBondContact O-N 2.91Å
148A98.6Very high98.5Very high87 Ų8769 Ų6972%0.71934%0.341SS*.Hα-helixtrans-60.2-36.1177.100000112.8R144R144-A148 WeakPolarHBondContact O-CB 3.32Å; R144-A148 PolarHBondContact O-N 3.34Å
149A98.4Very high98.5Very high59 Ų5968.9 Ų68.949%0.48834%0.34SS..THydrogen-bonded Turntrans-89.64.8177.900000114.1K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 3.25Å; K145-A149 PolarHBondContact O-N 3.36Å; W146-A149 CarbonylContact O-C 3.59Å; W146-A149 PolarHBondContact O-N 3.12Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.42Å; A149-V151 HydrophobicContact CB-CG2 4.01Å; A149-V151 PolarHBondContact O-N 2.9Å
150R98.2Very high98.5Very high158 Ų15872.6 Ų72.660%0.59636%0.357SS*.THydrogen-bonded Turntrans5140.5-179.5-61.6175.3172.7-126.87.9113.6W146 E147 A152 E153W146-R150 PolarHBondContact O-N 3.3Å; E147-R150 PolarHBondContact O-N 2.91Å; R150-A152 PolarHBondContact O-N 3.17Å; R150-E153 HydrophobicContact CB-CG 4.27Å; R150-E153 WeakPolarHBondContact CD-OE1 3.09Å; R150-E153 IonicContact CZ-OE1 3.69Å; R150-E153 IonicContact NE-OE1 3.84Å; R150-E153 IonicContact NH1-OE1 2.88Å; R150-E153 PolarHBondContact NH1-OE1 3.09Å; R150-E153 IonicContact NH1-OE2 3.68Å; R150-E153 PolarHBondContact O-N 3.31Å
151V98.6Very high98.5Very high29 Ų2970.1 Ų70.118%0.17635%0.351CS..Hα-helixtrans-63-32-176.8176.60000111.7W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.32Å; W132-V151 HydrophobicContact CZ2-CG1 4.11Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.93Å; W146-V151 HydrophobicContact CD2-CB 4.48Å; W146-V151 HydrophobicContact CD2-CG1 4.24Å; W146-V151 HydrophobicContact CG-CB 4.07Å; W146-V151 HydrophobicContact CG-CG1 4.32Å; W146-V151 HydrophobicContact CG-CG2 3.87Å; W146-V151 PolarHBondContact O-N 2.84Å; A149-V151 HydrophobicContact CB-CG2 4.01Å; A149-V151 PolarHBondContact O-N 2.9Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 3.42Å; V151-Q154 PolarHBondContact O-N 3.27Å; V151-L155 HydrophobicContact CG1-CD1 3.88Å; V151-L155 HydrophobicContact CG1-CG 4.36Å; V151-L155 WeakPolarHBondContact O-CG 3.43Å; V151-L155 PolarHBondContact O-N 3.48Å; V151-L155 VanDerWaalsContact O-N 3.13Å
152A98.6Very high98.5Very high7 Ų770.5 Ų70.56%0.05835%0.354CS..Hα-helixtrans-60.4-39.8177.500000112.4L125 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.97Å; W132-A152 HydrophobicContact CZ2-CB 4.23Å; R150-A152 PolarHBondContact O-N 3.17Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.25Å; A152-L155 PolarHBondContact O-N 3.17Å; A152-R156 WeakPolarHBondContact O-CB 3.44Å; A152-R156 PolarHBondContact O-N 3.07Å
153E98.3Very high98.5Very high108 Ų10869.8 Ų69.851%0.50535%0.349SS..Hα-helixtrans-62.4-41178.8-62.1176.4-161.800111.7R150 V151 R156 A157R150-E153 HydrophobicContact CB-CG 4.27Å; R150-E153 WeakPolarHBondContact CD-OE1 3.09Å; R150-E153 IonicContact CZ-OE1 3.69Å; R150-E153 IonicContact NE-OE1 3.84Å; R150-E153 IonicContact NH1-OE1 2.88Å; R150-E153 PolarHBondContact NH1-OE1 3.09Å; R150-E153 IonicContact NH1-OE2 3.68Å; R150-E153 PolarHBondContact O-N 3.31Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 3.42Å; E153-R156 PolarHBondContact O-N 3.1Å; E153-A157 PolarHBondContact O-N 3.31Å
154Q97.9Very high98.5Very high132 Ų13268.1 Ų68.162%0.61734%0.342SS*.Hα-helixtrans-66.1-41.4177.6-60.8176.242.100111.7V151 A152 A157 Y158V151-Q154 PolarHBondContact O-N 3.27Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.25Å; Q154-A157 PolarHBondContact O-N 3.28Å; Q154-Y158 PolarHBondContact O-N 3.13Å
155L98.5Very high98.4Very high22 Ų2266 Ų6612%0.11534%0.339CS..Hα-helixtrans-68.2-42.1177.7-70.3165.3000111.5N113 L125 W132 V151 A152 A157 Y158 L159N113-L155 WeakPolarHBondContact ND2-CD1 3.2Å; N113-L155 WeakPolarHBondContact ND2-CD2 3.22Å; L125-L155 HydrophobicContact CD2-CB 4.17Å; L125-L155 HydrophobicContact CD2-CD1 4.38Å; W132-L155 HydrophobicContact CH2-CD1 3.33Å; W132-L155 HydrophobicContact CZ2-CD1 3.75Å; W132-L155 HydrophobicContact CZ3-CD1 4.47Å; V151-L155 HydrophobicContact CG1-CD1 3.88Å; V151-L155 HydrophobicContact CG1-CG 4.36Å; V151-L155 WeakPolarHBondContact O-CG 3.43Å; V151-L155 PolarHBondContact O-N 3.48Å; V151-L155 VanDerWaalsContact O-N 3.13Å; A152-L155 PolarHBondContact O-N 3.17Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 2.93Å; L155-Y158 PolarHBondContact O-N 2.92Å; L155-L159 HydrophobicContact CB-CD1 4.5Å; L155-L159 WeakPolarHBondContact O-CB 3.44Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 3.04Å
156R98.6Very high98.4Very high110 Ų11063.6 Ų63.642%0.41533%0.327SS..Hα-helixtrans-56.8-48.1174.4-179.1178175.5172.77111.2L129 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 4Å; L129-R156 HydrophobicContact CD1-CG 4.14Å; A152-R156 WeakPolarHBondContact O-CB 3.44Å; A152-R156 PolarHBondContact O-N 3.07Å; E153-R156 PolarHBondContact O-N 3.1Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 2.86Å; R156-L159 PolarHBondContact O-N 3.34Å; R156-L159 VanDerWaalsContact O-N 3.14Å; R156-E160 HydrophobicContact CG-CG 4.15Å; R156-E160 WeakPolarHBondContact CG-OE2 3.3Å; R156-E160 IonicContact CZ-OE1 3.57Å; R156-E160 IonicContact CZ-OE2 3.59Å; R156-E160 VanDerWaalsContact NE-CD 3.29Å; R156-E160 IonicContact NE-OE1 3.96Å; R156-E160 PolarHBondContact NE-OE1 3.4Å; R156-E160 IonicContact NE-OE2 3.72Å; R156-E160 PolarHBondContact NE-OE2 3.48Å; R156-E160 IonicContact NH2-OE1 3.66Å; R156-E160 PolarHBondContact NH2-OE1 3.08Å; R156-E160 IonicContact NH2-OE2 3.66Å; R156-E160 WeakPolarHBondContact O-CB 3.4Å; R156-E160 PolarHBondContact O-N 3.3Å
157A98.6Very high98.4Very high66 Ų6661 Ų6155%0.54532%0.317SS..Hα-helixtrans-57.7-39.4177.400000112.6E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 3.31Å; Q154-A157 PolarHBondContact O-N 3.28Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 2.93Å; A157-G161 PolarHBondContact O-N 2.89Å
158Y98.5Very high98.4Very high58 Ų5862.4 Ų62.423%0.22732%0.318CS..Iπ-helixtrans-68.4-47.4173.6169.6-97.7000112.6Y98 Q154 L155 R156 G161 L162 C163Y98-Y158 AromaticContact CD2-CE1 3.8Å; Y98-Y158 HydrophobicContact CD2-CE1 3.8Å; Y98-Y158 AromaticContact CE2-CE1 3.63Å; Y98-Y158 HydrophobicContact CE2-CE1 3.63Å; Y98-Y158 AromaticContact CE2-CZ 3.89Å; Q154-Y158 PolarHBondContact O-N 3.13Å; L155-Y158 PolarHBondContact O-N 2.92Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 2.86Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 3.11Å; Y158-L162 HydrophobicContact CD2-CB 3.9Å; Y158-L162 HydrophobicContact CD2-CD1 4.42Å; Y158-L162 HydrophobicContact CE2-CB 4.14Å; Y158-L162 PolarHBondContact O-N 3.03Å; Y158-C163 HydrophobicContact CD1-CB 4.28Å; Y158-C163 HydrophobicContact CE1-CB 3.81Å; Y158-C163 HydrophobicContact CE2-CB 4.47Å; Y158-C163 WeakPolarHBondContact O-CB 3.46Å; Y158-C163 PolarHBondContact O-N 3.26Å
159L98.8Very high98.3Very high1 Ų163.9 Ų63.91%0.00531%0.305CS..Iπ-helixtrans-68.5-40.7-172.9-71.2169.7000112.5G99 F108 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.36Å; F108-L159 HydrophobicContact CE2-CB 4.46Å; F108-L159 WeakPolarHBondContact CE2-O 3.28Å; L125-L159 HydrophobicContact CD2-CD1 3.86Å; L129-L159 HydrophobicContact CD2-CD1 4.01Å; L155-L159 HydrophobicContact CB-CD1 4.5Å; L155-L159 WeakPolarHBondContact O-CB 3.44Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 3.04Å; R156-L159 PolarHBondContact O-N 3.34Å; R156-L159 VanDerWaalsContact O-N 3.14Å; L159-V164 WeakPolarHBondContact O-CG2 3.46Å
160E98.4Very high98.3Very high79 Ų7961.2 Ų61.237%0.36928%0.282SS..Iπ-helixtrans-81.7-22.8178-66.4179.415800112.5F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.3Å; F108-E160 HydrophobicContact CE1-CG 4.05Å; F108-E160 HydrophobicContact CE2-CG 4.41Å; F108-E160 HydrophobicContact CZ-CG 4.1Å; L129-E160 HydrophobicContact CD1-CG 4.08Å; R156-E160 HydrophobicContact CG-CG 4.15Å; R156-E160 WeakPolarHBondContact CG-OE2 3.3Å; R156-E160 IonicContact CZ-OE1 3.57Å; R156-E160 IonicContact CZ-OE2 3.59Å; R156-E160 VanDerWaalsContact NE-CD 3.29Å; R156-E160 IonicContact NE-OE1 3.96Å; R156-E160 PolarHBondContact NE-OE1 3.4Å; R156-E160 IonicContact NE-OE2 3.72Å; R156-E160 PolarHBondContact NE-OE2 3.48Å; R156-E160 IonicContact NH2-OE1 3.66Å; R156-E160 PolarHBondContact NH2-OE1 3.08Å; R156-E160 IonicContact NH2-OE2 3.66Å; R156-E160 WeakPolarHBondContact O-CB 3.4Å; R156-E160 PolarHBondContact O-N 3.3Å
161G98.3Very high98.2Very high21 Ų2154.2 Ų54.222%0.21626%0.257CS..Iπ-helixtrans-105.8-98.8-177.900000113.2A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 2.89Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 3.11Å; G161-C163 PolarHBondContact O-N 3.06Å; G161-C163 VanDerWaalsContact O-N 3.12Å; G161-V164 WeakPolarHBondContact O-CB 3.36Å; G161-V164 PolarHBondContact O-N 2.86Å; G161-E165 PolarHBondContact O-N 3.07Å
162L98.1Very high98.1Very high70 Ų7058.6 Ų58.637%0.36628%0.275SS..Iπ-helixtrans-53.6-37.3-171.3-72.6175.2000113.8Y158 E165 W166Y158-L162 HydrophobicContact CD2-CB 3.9Å; Y158-L162 HydrophobicContact CD2-CD1 4.42Å; Y158-L162 HydrophobicContact CE2-CB 4.14Å; Y158-L162 PolarHBondContact O-N 3.03Å; L162-E165 PolarHBondContact O-N 3.28Å; L162-W166 WeakPolarHBondContact O-CB 3.43Å; L162-W166 PolarHBondContact O-N 3.23Å
163C98.6Very high98Very high0 Ų060.1 Ų60.10%028%0.282CS..Hα-helixtrans-60.8-46.8177.6-1730000111.4M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.22Å; M4-C163 WeakPolarHBondContact CE-SG 3.16Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.18Å; C100-C163 PolarHBondContact N-SG 3.45Å; C100-C163 WeakPolarHBondContact SG-CB 3.25Å; C100-C163 PolarHBondContact SG-O 2.79Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.85Å; Y158-C163 HydrophobicContact CD1-CB 4.28Å; Y158-C163 HydrophobicContact CE1-CB 3.81Å; Y158-C163 HydrophobicContact CE2-CB 4.47Å; Y158-C163 WeakPolarHBondContact O-CB 3.46Å; Y158-C163 PolarHBondContact O-N 3.26Å; G161-C163 PolarHBondContact O-N 3.06Å; G161-C163 VanDerWaalsContact O-N 3.12Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.22Å; C163-L167 PolarHBondContact O-N 3.12Å
164V98.5Very high97.8Very high5 Ų555 Ų553%0.0326%0.259CS..Hα-helixtrans-65.7-43.2178.7170.40000111.1L102 F108 L159 G161 L167 R168L102-V164 HydrophobicContact CD2-CB 4.33Å; L102-V164 HydrophobicContact CD2-CG1 3.82Å; L102-V164 HydrophobicContact CD2-CG2 3.96Å; F108-V164 HydrophobicContact CB-CG2 4.09Å; F108-V164 HydrophobicContact CD2-CG2 3.68Å; F108-V164 HydrophobicContact CG-CG2 4.36Å; L159-V164 WeakPolarHBondContact O-CG2 3.46Å; G161-V164 WeakPolarHBondContact O-CB 3.36Å; G161-V164 PolarHBondContact O-N 2.86Å; V164-L167 PolarHBondContact O-N 3.33Å; V164-R168 VanDerWaalsContact CG1-CZ 3.42Å; V164-R168 WeakPolarHBondContact O-CG 3.34Å; V164-R168 PolarHBondContact O-N 3.36Å
165E98.3Very high97.6Very high116 Ų11654 Ų5454%0.54225%0.253SS..Hα-helixtrans-60-48.8178.2-69.6174.3-174.700111.8G161 L162 R168 R169G161-E165 PolarHBondContact O-N 3.07Å; L162-E165 PolarHBondContact O-N 3.28Å; E165-R168 PolarHBondContact O-N 2.72Å; E165-R169 PolarHBondContact O-N 2.92Å
166W98.2Very high97.2Very high61 Ų6160.5 Ų60.523%0.23128%0.282CS..Hα-helixtrans-67.2-41.4178.7-81.4110.7000112.5M4 Y58 L162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.1Å; M4-W166 HydrophobicContact SD-CB 4.38Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.09Å; Y58-W166 AromaticContact CD2-CZ3 3.93Å; Y58-W166 HydrophobicContact CD2-CZ3 3.93Å; Y58-W166 HydrophobicContact CE2-CE3 4.36Å; Y58-W166 AromaticContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CZ2 4.28Å; Y58-W166 AromaticContact CE2-CZ3 3.86Å; Y58-W166 HydrophobicContact CE2-CZ3 3.86Å; L162-W166 WeakPolarHBondContact O-CB 3.43Å; L162-W166 PolarHBondContact O-N 3.23Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.16Å; W166-R169 PolarHBondContact O-N 3.27Å; W166-Y170 HydrophobicContact CB-CE2 3.97Å; W166-Y170 HydrophobicContact CD2-CE1 4.44Å; W166-Y170 HydrophobicContact CE3-CD1 4.3Å; W166-Y170 AromaticContact CE3-CE1 3.37Å; W166-Y170 HydrophobicContact CE3-CE1 3.37Å; W166-Y170 HydrophobicContact CE3-CE2 4.3Å; W166-Y170 AromaticContact CE3-CZ 3.36Å; W166-Y170 AromaticContact CZ3-CE1 3.77Å; W166-Y170 HydrophobicContact CZ3-CE1 3.77Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.41Å; W166-Y170 PolarHBondContact O-N 3.17Å
167L98.5Very high96.8Very high0 Ų059 Ų590%029%0.286CS..Hα-helixtrans-59.4-44.1176.1176.548.7000111.3H2 M4 V27 L102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.4Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.99Å; M4-L167 HydrophobicContact CB-CG 4.25Å; M4-L167 HydrophobicContact CE-CB 4.46Å; M4-L167 HydrophobicContact SD-CB 4.49Å; V27-L167 HydrophobicContact CG1-CD1 3.69Å; V27-L167 HydrophobicContact CG2-CD1 4.35Å; L102-L167 HydrophobicContact CD1-CB 4.47Å; L102-L167 HydrophobicContact CD1-CD2 3.83Å; L102-L167 HydrophobicContact CD1-CG 3.83Å; L102-L167 HydrophobicContact CG-CD2 3.67Å; L102-L167 HydrophobicContact CG-CG 4.26Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.22Å; C163-L167 PolarHBondContact O-N 3.12Å; V164-L167 PolarHBondContact O-N 3.33Å; L167-R169 PolarHBondContact O-N 3.29Å; L167-Y170 PolarHBondContact O-N 3Å; L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.26Å; L167-L171 PolarHBondContact O-N 3.21Å
168R97.8Very high96.3Very high122 Ų12256.7 Ų56.746%0.4626%0.264SS..Hα-helixtrans-61.3-43.6174.9-72.7174.9-178.9153.30.2112.4L102 G106 V164 E165 W166 L171 E172L102-R168 HydrophobicContact CD1-CG 3.99Å; G106-R168 PolarHBondContact O-NE 3.24Å; G106-R168 PolarHBondContact O-NH2 3.38Å; V164-R168 VanDerWaalsContact CG1-CZ 3.42Å; V164-R168 WeakPolarHBondContact O-CG 3.34Å; V164-R168 PolarHBondContact O-N 3.36Å; E165-R168 PolarHBondContact O-N 2.72Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.16Å; R168-L171 PolarHBondContact O-N 2.99Å; R168-E172 PolarHBondContact O-N 2.94Å
169R97.5Very high95.7Very high118 Ų11858 Ų5845%0.44527%0.272SS..Hα-helixtrans-60.6-45.4176.3178.9174.2172.1100.4-5111.6E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 2.93Å; E54-R169 IonicContact OE1-NE 3.42Å; E54-R169 PolarHBondContact OE1-NE 3.41Å; E54-R169 IonicContact OE1-NH2 3.67Å; E54-R169 PolarHBondContact OE1-NH2 3.42Å; E54-R169 IonicContact OE2-CZ 3.03Å; E54-R169 IonicContact OE2-NE 2.65Å; E54-R169 PolarHBondContact OE2-NE 3.02Å; E54-R169 IonicContact OE2-NH2 2.72Å; E54-R169 PolarHBondContact OE2-NH2 3.31Å; E165-R169 PolarHBondContact O-N 2.92Å; W166-R169 PolarHBondContact O-N 3.27Å; L167-R169 PolarHBondContact O-N 3.29Å; R169-E172 PolarHBondContact O-N 3.01Å; R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 PolarHBondContact O-N 3.2Å; R169-N173 PolarHBondContact O-OD1 3.41Å; R169-N173 VanDerWaalsContact O-OD1 3.11Å
170Y97.6Very high94.6Very high2 Ų267 Ų671%0.00831%0.306CS..Hα-helixtrans-67.1-36.8179.4-61.2-25.9000112.8M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.75Å; M4-Y170 HydrophobicContact SD-CE2 3.61Å; V27-Y170 HydrophobicContact CG2-CD2 3.85Å; V27-Y170 HydrophobicContact CG2-CG 4.35Å; F32-Y170 HydrophobicContact CD2-CE2 4.44Å; F32-Y170 HydrophobicContact CE2-CD2 4.2Å; F32-Y170 AromaticContact CE2-CE2 3.61Å; F32-Y170 HydrophobicContact CE2-CE2 3.61Å; F32-Y170 AromaticContact CE2-CZ 3.97Å; F32-Y170 HydrophobicContact CZ-CD2 4.22Å; F32-Y170 AromaticContact CZ-CE2 3.74Å; F32-Y170 HydrophobicContact CZ-CE2 3.74Å; W50-Y170 HydrophobicContact CH2-CG 4.12Å; W50-Y170 AromaticContact CZ3-CD1 3.75Å; W50-Y170 HydrophobicContact CZ3-CD1 3.75Å; W50-Y170 HydrophobicContact CZ3-CD2 4.37Å; W50-Y170 AromaticContact CZ3-CG 3.65Å; W50-Y170 HydrophobicContact CZ3-CG 3.65Å; I51-Y170 HydrophobicContact CD1-CD1 3.82Å; I51-Y170 HydrophobicContact CD1-CE1 3.37Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.45Å; Y58-Y170 VanDerWaalsContact CZ-OH 3.3Å; Y58-Y170 PolarHBondContact OH-OH 3.21Å; W166-Y170 HydrophobicContact CB-CE2 3.97Å; W166-Y170 HydrophobicContact CD2-CE1 4.44Å; W166-Y170 HydrophobicContact CE3-CD1 4.3Å; W166-Y170 AromaticContact CE3-CE1 3.37Å; W166-Y170 HydrophobicContact CE3-CE1 3.37Å; W166-Y170 HydrophobicContact CE3-CE2 4.3Å; W166-Y170 AromaticContact CE3-CZ 3.36Å; W166-Y170 AromaticContact CZ3-CE1 3.77Å; W166-Y170 HydrophobicContact CZ3-CE1 3.77Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.41Å; W166-Y170 PolarHBondContact O-N 3.17Å; L167-Y170 PolarHBondContact O-N 3Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 2.92Å; Y170-N173 PolarHBondContact O-N 2.9Å; Y170-G174 PolarHBondContact O-N 2.75Å; Y170-L178 WeakPolarHBondContact O-CD1 3.33Å
171L97.1Very high92.5Very high11 Ų1171.6 Ų71.66%0.05836%0.358CS..Hα-helixtrans-64.5-34.7173.8-73.5169.1000112.7H2 V27 L102 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.67Å; H2-L171 HydrophobicContact CB-CD2 4.02Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 VanDerWaalsContact CG-CD2 3.5Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.5Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; L102-L171 HydrophobicContact CD1-CD1 4.34Å; L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.26Å; L167-L171 PolarHBondContact O-N 3.21Å; R168-L171 PolarHBondContact O-N 2.99Å; L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.5Å; L171-K175 WeakPolarHBondContact O-CB 3.49Å; L171-K175 PolarHBondContact O-N 3.48Å; L171-K175 VanDerWaalsContact O-N 3.08Å; L171-L178 HydrophobicContact CD2-CB 4.25Å; L171-L178 HydrophobicContact CD2-CD1 4.35Å; L171-Q179 PolarHBondContact O-NE2 3.42Å
172E96.3Very high92.2Very high122 Ų12274.2 Ų74.257%0.5737%0.365SS*.Hα-helixtrans-72.7-48.1173.9-171.759.5-15400111.1R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.94Å; R169-E172 PolarHBondContact O-N 3.01Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 2.92Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 2.82Å; E172-K175 WeakPolarHBondContact O-CB 3.39Å; E172-K175 PolarHBondContact O-N 2.94Å
173N95.4Very high91.9Very high38 Ų3874.4 Ų74.420%0.20337%0.365CS..Hα-helixtrans-58.4-41.4178.3-64.1-4.7000112.1W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.41Å; W50-N173 WeakPolarHBondContact CB-O 3.38Å; W50-N173 HydrophobicContact CE3-CB 4.46Å; Q53-N173 PolarHBondContact NE2-ND2 3.06Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.15Å; Q53-N173 PolarHBondContact NE2-OD1 3.09Å; E54-N173 PolarHBondContact OE1-ND2 3.22Å; E54-N173 VanDerWaalsContact OE1-ND2 3.17Å; R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 PolarHBondContact O-N 3.2Å; R169-N173 PolarHBondContact O-OD1 3.41Å; R169-N173 VanDerWaalsContact O-OD1 3.11Å; Y170-N173 PolarHBondContact O-N 2.9Å
174G95.1Very high91.6Very high2 Ų278.5 Ų78.52%0.02139%0.385CS..THydrogen-bonded Turntrans-100.418.5-177.500000113.9Y170 E172 E176 T177 L178Y170-G174 PolarHBondContact O-N 2.75Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 2.82Å; G174-E176 PolarHBondContact O-N 3.4Å; G174-E176 VanDerWaalsContact O-N 3.12Å; G174-T177 PolarHBondContact O-N 3.05Å; G174-T177 PolarHBondContact O-OG1 3.06Å; G174-L178 WeakPolarHBondContact O-CB 3.44Å; G174-L178 WeakPolarHBondContact O-CG 3.47Å; G174-L178 PolarHBondContact O-N 3.3Å
175K93.3Very high91.1Very high110 Ų11082.8 Ų82.848%0.47841%0.406SS..Hα-helixtrans-52.1-40.4-172.5-176.8175-176.3175.60113.2L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.5Å; L171-K175 WeakPolarHBondContact O-CB 3.49Å; L171-K175 PolarHBondContact O-N 3.48Å; L171-K175 VanDerWaalsContact O-N 3.08Å; E172-K175 WeakPolarHBondContact O-CB 3.39Å; E172-K175 PolarHBondContact O-N 2.94Å; K175-T177 PolarHBondContact O-N 3.45Å; K175-Q179 WeakPolarHBondContact O-CB 3.36Å; K175-Q179 PolarHBondContact O-N 2.88Å
176E89.8Confident90.7Very high158 Ų15880.8 Ų80.874%0.73840%0.397SS*.Hα-helixtrans-66-20.8-179.8-66.3-170.4173.300113.9G174 R180G174-E176 PolarHBondContact O-N 3.4Å; G174-E176 VanDerWaalsContact O-N 3.12Å; E176-R180 WeakPolarHBondContact O-CD 3.31Å; E176-R180 VanDerWaalsContact O-CG 3.25Å; E176-R180 WeakPolarHBondContact O-CG 3.44Å; E176-R180 PolarHBondContact O-NE 3.38Å; E176-R180 PolarHBondContact O-NH2 2.99Å
177T89.4Confident90.2Very high80 Ų8082.1 Ų82.149%0.49141%0.408SS..Hα-helixtrans-113.7-39.5-178.454.90000112.8G174 K175G174-T177 PolarHBondContact O-N 3.05Å; G174-T177 PolarHBondContact O-OG1 3.06Å; K175-T177 PolarHBondContact O-N 3.45Å
178L89Confident89.6Confident17 Ų1787.9 Ų87.99%0.08944%0.437CS..Hα-helixtrans-82.7-21.6-174.9-61.8173.3000113.7V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.36Å; V27-L178 HydrophobicContact CB-CD2 4.48Å; V27-L178 HydrophobicContact CG1-CD1 3.86Å; V27-L178 HydrophobicContact CG1-CD2 4.31Å; T30-L178 HydrophobicContact CG2-CD2 4.19Å; W50-L178 HydrophobicContact CZ2-CD1 3.95Å; W50-L178 HydrophobicContact CZ2-CD2 4.41Å; Y170-L178 WeakPolarHBondContact O-CD1 3.33Å; L171-L178 HydrophobicContact CD2-CB 4.25Å; L171-L178 HydrophobicContact CD2-CD1 4.35Å; G174-L178 WeakPolarHBondContact O-CB 3.44Å; G174-L178 WeakPolarHBondContact O-CG 3.47Å; G174-L178 PolarHBondContact O-N 3.3Å
179Q85Confident89Confident84 Ų8485.3 Ų85.339%0.39344%0.436SS..THydrogen-bonded Turntrans-114.423.5-178.3-58.3-178.919.400112.6L171 K175 A181L171-Q179 PolarHBondContact O-NE2 3.42Å; K175-Q179 WeakPolarHBondContact O-CB 3.36Å; K175-Q179 PolarHBondContact O-N 2.88Å; Q179-A181 PolarHBondContact O-N 2.84Å
180R76.6Confident88.3Confident192 Ų19282.6 Ų82.673%0.72544%0.435SS*.  trans-70.8120.3169.7-69.5-169.5179.4-177.85.4108.8E176E176-R180 WeakPolarHBondContact O-CD 3.31Å; E176-R180 VanDerWaalsContact O-CG 3.25Å; E176-R180 WeakPolarHBondContact O-CG 3.44Å; E176-R180 PolarHBondContact O-NE 3.38Å; E176-R180 PolarHBondContact O-NH2 2.99Å
181A54.4Low87.4Confident175 Ų17589.9 Ų89.9100%1.44647%0.474SS*.  trans-69.1017100000111.4Q179Q179-A181 PolarHBondContact O-N 2.84Å

Retrieved 181 of 181 residues in 204.7 ms (Link to these results)

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