A0A087YLV9_POEFO Loading...

6-pyruvoyl tetrahydrobiopterin synthase

Involved in the biosynthesis of tetrahydrobiopterin, an essential cofactor of aromatic amino acid hydroxylases. Catalyzes the transformation of 7,8-dihydroneopterin triphosphate into 6-pyruvoyl tetrahydropterin.

AlphaFold DB , UniProt , Accession A0A087YLV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 147 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
1M45.4Very low60.3Low241 Ų241130.2 Ų130.2100%1.18781%0.806SS**  0109.10-59.5-164.2-156.400105.8
2A46.6Very low63.2Low104 Ų104135.2 Ų135.286%0.8680%0.798SS**  trans-84.1115.3-176.500000108.6S4A2-S4 PolarHBondContact O-N 2.89Å
3E50.9Low65.9Low189 Ų189129.8 Ų129.888%0.88376%0.763SS**  trans-65.6113.2168.6-69.8175.3162.900108S5E3-S5 VanDerWaalsContact C-N 3.35Å; E3-S5 PolarHBondContact O-N 2.99Å
4S53.7Low68.1Low120 Ų120121.4 Ų121.484%0.83972%0.716SS**  trans-74.391.7173.464.70000108.9A2 G6A2-S4 PolarHBondContact O-N 2.89Å; S4-G6 PolarHBondContact O-N 3.27Å
5S58.5Low70.2Confident124 Ų124121.1 Ų121.187%0.86770%0.7SS**  trans-71.370166.461.10000109.9E3E3-S5 VanDerWaalsContact C-N 3.35Å; E3-S5 PolarHBondContact O-N 2.99Å
6G56.6Low71.9Confident61 Ų61115.8 Ų115.863%0.62967%0.667SS**PPolyproline II helixtrans-88.3119.5168.100000108.8S4S4-G6 PolarHBondContact O-N 3.27Å
7N59.8Low73.5Confident156 Ų156113 Ų11383%0.83465%0.653SS**PPolyproline II helixtrans-50.7135.4166.5-104.4-15.9000108.7
8P62.2Low74.9Confident108 Ų108110.4 Ų110.470%0.70163%0.63SS**PPolyproline II helixtrans-54.8135.3174.122.1-30.4000108.4A10P8-A10 PolarHBondContact O-N 3.31Å
9P67.8Low76.1Confident116 Ų116108.3 Ų108.375%0.75362%0.62SS**PPolyproline II helixtrans-54.4135.4-179.720.7-31.4000109.4E11P9-E11 PolarHBondContact O-N 3.16Å
10A75.6Confident77.3Confident87 Ų87105.7 Ų105.772%0.71960%0.602SS**PPolyproline II helixtrans-50.8133.3-179.200000110.4P8 R12P8-A10 PolarHBondContact O-N 3.31Å; A10-R12 PolarHBondContact O-N 2.61Å; A10-R12 VanDerWaalsContact O-N 3.13Å
11E86.5Confident78.3Confident126 Ų126103.7 Ų103.759%0.58960%0.595SS**  trans-62114.7-177.4-176.5156.7-100.500110.5P9 I13 K64P9-E11 PolarHBondContact O-N 3.16Å; E11-I13 HydrophobicContact CG-CD1 4.33Å; E11-K64 HydrophobicContact CG-CD 4.15Å; E11-K64 HydrophobicContact CG-CG 3.99Å; E11-K64 WeakPolarHBondContact OE1-CD 2.94Å; E11-K64 WeakPolarHBondContact OE1-CE 3.41Å; E11-K64 IonicContact OE1-NZ 2.61Å; E11-K64 PolarHBondContact OE1-NZ 2.87Å; E11-K64 WeakPolarHBondContact OE2-CE 3.46Å; E11-K64 IonicContact OE2-NZ 3.16Å; E11-K64 PolarHBondContact OE2-NZ 2.95Å; E11-K64 VanDerWaalsContact OE2-NZ 3.16Å
12R95.1Very high80.8Confident190 Ų19092.4 Ų92.472%0.71754%0.539SS*.  trans-90.4121-177.9-62-179.3-177.4165.1-0.2109.5A10 I65A10-R12 PolarHBondContact O-N 2.61Å; A10-R12 VanDerWaalsContact O-N 3.13Å; R12-I65 HydrophobicContact CB-CB 4.48Å; R12-I65 HydrophobicContact CB-CD1 4.14Å; R12-I65 PolarHBondContact O-N 2.84Å
13I97.4Very high83.3Confident66 Ų6689.3 Ų89.334%0.33851%0.511SS..EExtended strand (participates in β ladder)trans-96.2129.6173.6-57.3-56.9000109.1E11 Y15 R62 G63 K64E11-I13 HydrophobicContact CG-CD1 4.33Å; I13-Y15 HydrophobicContact CG2-CE2 4.23Å; I13-R62 HydrophobicContact CG2-CG 3.8Å; I13-G63 WeakPolarHBondContact CA-O 3.5Å; I13-K64 HydrophobicContact CD1-CG 3.88Å
14G97.6Very high85.6Confident11 Ų1180.6 Ų80.611%0.11347%0.471CS..EExtended strand (participates in β ladder)trans-114.3161.6173.900000111.9R62 G63G14-R62 WeakPolarHBondContact O-CA 3.33Å; G14-G63 PolarHBondContact N-O 3.1Å; G14-G63 PolarHBondContact O-N 2.95Å; G14-G63 VanDerWaalsContact O-N 3.11Å
15Y98.5Very high87.7Confident118 Ų11877.2 Ų77.246%0.46345%0.447SS..EExtended strand (participates in β ladder)trans-125.1133.9172.1-60.9-103.4000108.2I13 T60 V61 R62 Y130I13-Y15 HydrophobicContact CG2-CE2 4.23Å; Y15-T60 HydrophobicContact CD1-CG2 4.29Å; Y15-V61 CarbonylContact C-O 3.59Å; Y15-V61 VanDerWaalsContact CA-O 3.31Å; Y15-V61 WeakPolarHBondContact CA-O 3.46Å; Y15-R62 HydrophobicContact CD1-CB 3.77Å; Y15-R62 HydrophobicContact CD1-CG 3.84Å; Y15-R62 HydrophobicContact CE1-CB 3.76Å; Y15-R62 HydrophobicContact CE1-CG 3.42Å; Y15-R62 VanDerWaalsContact CE1-CG 3.42Å; Y15-R62 HydrophobicContact CE2-CG 4.39Å; Y15-R62 HydrophobicContact CG-CG 4.49Å; Y15-R62 WeakPolarHBondContact OH-CD 3.43Å; Y15-R62 PolarHBondContact OH-NE 2.88Å; Y15-Y130 AromaticContact CD1-CD1 3.99Å; Y15-Y130 HydrophobicContact CD1-CD1 3.99Å; Y15-Y130 HydrophobicContact CD1-CE1 4.18Å; Y15-Y130 HydrophobicContact CD1-CG 4.3Å; Y15-Y130 AromaticContact CE1-CD1 3.99Å; Y15-Y130 HydrophobicContact CE1-CD1 3.99Å; Y15-Y130 HydrophobicContact CE1-CD2 4.14Å; Y15-Y130 AromaticContact CE1-CE1 3.88Å; Y15-Y130 HydrophobicContact CE1-CE1 3.88Å; Y15-Y130 HydrophobicContact CE1-CE2 4.01Å; Y15-Y130 HydrophobicContact CE1-CG 4.12Å; Y15-Y130 AromaticContact CE1-CZ 3.89Å
16I98.3Very high89.7Confident35 Ų3571.3 Ų71.318%0.17941%0.406CS..EExtended strand (participates in β ladder)trans-120121.4173.9-62.2177.9000107.1T60 V61 V72 L75 L78I16-T60 CarbonylContact O-C 3.6Å; I16-T60 VanDerWaalsContact O-CA 3.29Å; I16-T60 WeakPolarHBondContact O-CA 3.14Å; I16-V61 HydrophobicContact CB-CG2 3.84Å; I16-V61 PolarHBondContact N-O 3.02Å; I16-V61 PolarHBondContact O-N 3.48Å; I16-V72 HydrophobicContact CD1-CB 3.77Å; I16-V72 HydrophobicContact CD1-CG2 4.47Å; I16-V72 HydrophobicContact CG1-CB 4.13Å; I16-V72 HydrophobicContact CG1-CG2 4.45Å; I16-L75 HydrophobicContact CG2-CD2 3.46Å; I16-L75 VanDerWaalsContact CG2-CD2 3.46Å; I16-L78 HydrophobicContact CG2-CD2 4.07Å
17T98.8Very high91.7Very high69 Ų6971.3 Ų71.342%0.42339%0.387SS..EExtended strand (participates in β ladder)trans-108124.2171.3-56.10000109.1V19 E58 V59 T60T17-V19 HydrophobicContact CG2-CG2 4.43Å; T17-E58 HydrophobicContact CG2-CB 3.72Å; T17-V59 WeakPolarHBondContact CA-O 3.29Å; T17-T60 WeakPolarHBondContact OG1-CG2 3.4Å; T17-T60 PolarHBondContact OG1-OG1 3.36Å
18R98.7Very high93.5Very high66 Ų6664.7 Ų64.725%0.24935%0.351CS..EExtended strand (participates in β ladder)trans-109.7127170.5-177.5168.2177.293.915109V59 L78 I82R18-V59 PolarHBondContact N-O 3.17Å; R18-V59 PolarHBondContact O-N 3.4Å; R18-L78 HydrophobicContact CB-CD2 3.75Å; R18-L78 HydrophobicContact CB-CG 4.27Å; R18-I82 HydrophobicContact CB-CD1 3.86Å; R18-I82 HydrophobicContact CG-CD1 3.77Å
19V98.8Very high95.3Very high71 Ų7161.7 Ų61.743%0.4333%0.328SS..EExtended strand (participates in β ladder)trans-99.7136.1-179.9-174.20000109.3T17 K56 V57 E58T17-V19 HydrophobicContact CG2-CG2 4.43Å; V19-K56 HydrophobicContact CG1-CD 3.77Å; V19-K56 HydrophobicContact CG1-CG 3.57Å; V19-V57 CarbonylContact C-O 3.53Å; V19-V57 WeakPolarHBondContact CA-O 3.47Å; V19-E58 HydrophobicContact CG1-CG 4.28Å; V19-E58 HydrophobicContact CG2-CB 4.35Å; V19-E58 HydrophobicContact CG2-CG 3.96Å
20Q98.4Very high96.7Very high55 Ų5556.9 Ų56.926%0.25730%0.297SS..EExtended strand (participates in β ladder)trans-142.1149176-174.558.350.200109.6K56 V57 I82 M87Q20-K56 CarbonylContact O-C 3.42Å; Q20-V57 PolarHBondContact N-O 3.19Å; Q20-V57 PolarHBondContact O-N 3.08Å; Q20-I82 HydrophobicContact CB-CG2 3.96Å; Q20-I82 HydrophobicContact CG-CG2 3.98Å; Q20-M87 HydrophobicContact CG-CE 4.44Å; Q20-M87 HydrophobicContact CG-CG 4.08Å; Q20-M87 HydrophobicContact CG-SD 3.28Å; Q20-M87 WeakPolarHBondContact CG-SD 3.28Å
21S98.8Very high97.8Very high65 Ų6558.5 Ų58.546%0.45529%0.293SS..EExtended strand (participates in β ladder)trans-117.7146.6173.3-68.10000110.7Y55 M87S21-Y55 WeakPolarHBondContact CA-O 3.07Å; S21-Y55 WeakPolarHBondContact CB-O 3.42Å; S21-M87 WeakPolarHBondContact O-CE 3.41Å
22F98.9Very high98.3Very high3 Ų360.3 Ų60.31%0.01330%0.301CS..EExtended strand (participates in β ladder)trans-142.7152.6172.374.5-93.1000109.8A24 N54 Y55 V57 I86 M87 L90 D91 L112F22-A24 HydrophobicContact CD2-CB 3.99Å; F22-A24 HydrophobicContact CE2-CB 3.71Å; F22-N54 CarbonylContact O-C 3.58Å; F22-Y55 HydrophobicContact CD2-CD2 4.2Å; F22-Y55 HydrophobicContact CE1-CG 4.22Å; F22-Y55 AromaticContact CE2-CD2 3.54Å; F22-Y55 HydrophobicContact CE2-CD2 3.54Å; F22-Y55 HydrophobicContact CE2-CE2 4.24Å; F22-Y55 HydrophobicContact CE2-CG 4.02Å; F22-Y55 AromaticContact CZ-CD2 3.76Å; F22-Y55 HydrophobicContact CZ-CD2 3.76Å; F22-Y55 AromaticContact CZ-CG 3.75Å; F22-Y55 HydrophobicContact CZ-CG 3.75Å; F22-Y55 PolarHBondContact N-O 3.33Å; F22-Y55 PolarHBondContact O-N 3.13Å; F22-V57 HydrophobicContact CD1-CG2 4.04Å; F22-V57 HydrophobicContact CE1-CG2 3.56Å; F22-I86 HydrophobicContact CD1-CG2 3.65Å; F22-I86 HydrophobicContact CE1-CG2 3.96Å; F22-I86 HydrophobicContact CG-CG2 4.47Å; F22-M87 HydrophobicContact CB-CE 4.06Å; F22-M87 HydrophobicContact CB-SD 4.05Å; F22-L90 HydrophobicContact CD2-CB 3.81Å; F22-L90 HydrophobicContact CE1-CD1 4.14Å; F22-L90 HydrophobicContact CE2-CB 3.64Å; F22-L90 HydrophobicContact CE2-CD1 4.35Å; F22-L90 HydrophobicContact CG-CB 4.35Å; F22-L90 HydrophobicContact CZ-CB 4.03Å; F22-L90 HydrophobicContact CZ-CD1 3.88Å; F22-D91 VanDerWaalsContact CA-OD1 3.25Å; F22-D91 WeakPolarHBondContact CA-OD1 3.33Å; F22-D91 HydrophobicContact CB-CB 3.85Å; F22-D91 WeakPolarHBondContact CB-OD1 3.39Å; F22-L112 HydrophobicContact CZ-CD2 4.02Å
23S98.9Very high98.5Very high39 Ų3954 Ų5427%0.27328%0.281SS..EExtended strand (participates in β ladder)trans-107.1125.9178.9-63.70000109.7H53 N54 D91 H92S23-H53 WeakPolarHBondContact CA-O 3.41Å; S23-N54 PolarHBondContact OG-OD1 3.19Å; S23-D91 PolarHBondContact N-OD1 3.14Å; S23-H92 VanDerWaalsContact O-CA 3.29Å; S23-H92 WeakPolarHBondContact O-CA 3.44Å; S23-H92 PolarHBondContact O-N 3.49Å
24A98.9Very high98.5Very high7 Ų754.2 Ų54.26%0.05829%0.286CS..EExtended strand (participates in β ladder)trans-144.1152.8177.100000111.8F22 G52 H53 Y55 K93 L95F22-A24 HydrophobicContact CD2-CB 3.99Å; F22-A24 HydrophobicContact CE2-CB 3.71Å; A24-G52 CarbonylContact O-C 3.6Å; A24-G52 WeakPolarHBondContact O-CA 3.32Å; A24-H53 PolarHBondContact N-O 3.44Å; A24-H53 VanDerWaalsContact N-O 3.12Å; A24-H53 PolarHBondContact O-N 2.93Å; A24-Y55 HydrophobicContact CB-CD2 4.28Å; A24-Y55 HydrophobicContact CB-CE2 4.05Å; A24-K93 CarbonylContact C-O 3.54Å; A24-K93 VanDerWaalsContact CA-O 3.26Å; A24-K93 WeakPolarHBondContact CA-O 3.29Å; A24-K93 WeakPolarHBondContact CB-O 3.29Å; A24-L95 HydrophobicContact CB-CD2 3.87Å; A24-L95 HydrophobicContact CB-CG 4.06Å
25C98.8Very high98.6Very high48 Ų4858.8 Ų58.832%0.32431%0.308SS..EExtended strand (participates in β ladder)trans-107.5153.9170.870.90000111.5H51 K93 N94 L95C25-H51 CarbonylContact C-O 3.59Å; C25-H51 WeakPolarHBondContact CA-O 3.45Å; C25-H51 WeakPolarHBondContact CB-O 3.4Å; C25-K93 PolarHBondContact N-O 3.43Å; C25-N94 CarbonylContact O-C 3.58Å; C25-N94 VanDerWaalsContact O-CA 3.29Å; C25-N94 WeakPolarHBondContact O-CA 3.32Å; C25-N94 VanDerWaalsContact SG-CA 3.59Å; C25-N94 VanDerWaalsContact SG-CB 3.56Å; C25-N94 PolarHBondContact SG-ND2 3.49Å; C25-L95 PolarHBondContact O-N 2.98Å
26H98.9Very high98.6Very high0 Ų060 Ų600%032%0.317CS..EExtended strand (participates in β ladder)trans-158.8172.7179.672.2169.9000112.2G50 H51 H53 Y55 L95 D96 S107 E136H26-G50 VanDerWaalsContact O-CA 3.26Å; H26-G50 WeakPolarHBondContact O-CA 3.4Å; H26-H51 AromaticContact CD2-CE1 3.3Å; H26-H51 PolarHBondContact CD2-CE1 2.92Å; H26-H51 AromaticContact CD2-ND1 3.69Å; H26-H51 AromaticContact CD2-NE2 3.74Å; H26-H51 PolarHBondContact N-O 2.77Å; H26-H51 AromaticContact NE2-CE1 3.09Å; H26-H51 PolarHBondContact NE2-CE1 3.33Å; H26-H51 AromaticContact NE2-ND1 3.92Å; H26-H51 AromaticContact NE2-NE2 3.19Å; H26-H51 PolarHBondContact NE2-NE2 3.48Å; H26-H51 VanDerWaalsContact NE2-NE2 3.19Å; H26-H51 PolarHBondContact O-N 2.73Å; H26-H51 PolarHBondContact O-ND1 3.06Å; H26-H51 VanDerWaalsContact O-O 3.14Å; H26-H53 AromaticContact CE1-CD2 3.99Å; H26-H53 AromaticContact CE1-NE2 3.9Å; H26-H53 AromaticContact NE2-CD2 3.4Å; H26-H53 PolarHBondContact NE2-CD2 2.98Å; H26-H53 AromaticContact NE2-NE2 3.13Å; H26-H53 PolarHBondContact NE2-NE2 3.19Å; H26-H53 VanDerWaalsContact NE2-NE2 3.13Å; H26-Y55 PolarHBondContact CE1-OH 3.44Å; H26-Y55 PolarHBondContact ND1-OH 3.35Å; H26-L95 HydrophobicContact CB-CB 4.05Å; H26-L95 HydrophobicContact CB-CD1 4.04Å; H26-L95 HydrophobicContact CB-CG 4.21Å; H26-D96 WeakPolarHBondContact CA-OD2 3.43Å; H26-D96 WeakPolarHBondContact CB-OD2 3.48Å; H26-S107 WeakPolarHBondContact CB-OG 3.38Å; H26-S107 PolarHBondContact ND1-O 3.24Å; H26-S107 PolarHBondContact ND1-OG 3.41Å; H26-E136 IonicContact CE1-OE1 3.65Å
27R98.8Very high98.6Very high61 Ų6162.4 Ų62.423%0.2333%0.328CS..  trans-138.6119.7170.1178.5-172.7178.3-141.2-0.8108.6H29 N46 N47 D96R27-H29 HydrophobicContact CG-CB 4.2Å; R27-H29 VanDerWaalsContact CZ-ND1 3.32Å; R27-H29 PolarHBondContact NH1-ND1 3.31Å; R27-H29 PolarHBondContact NH2-ND1 3.41Å; R27-H29 PolarHBondContact O-N 2.79Å; R27-N46 PolarHBondContact NE-O 3.27Å; R27-N46 PolarHBondContact NH2-O 3.46Å; R27-N46 PolarHBondContact NH2-OD1 2.87Å; R27-N46 VanDerWaalsContact NH2-OD1 3.13Å; R27-N47 WeakPolarHBondContact CD-O 3.11Å; R27-N47 WeakPolarHBondContact CG-O 3.36Å; R27-D96 PolarHBondContact N-OD2 2.79Å
28L98.8Very high98.6Very high18 Ų1859.1 Ų59.19%0.09431%0.308CS..  trans-73104.6172.8-57.9-170.6000109.1Y42 C45 N46 V106 S107 T108L28-Y42 HydrophobicContact CB-CD1 3.63Å; L28-Y42 HydrophobicContact CB-CD2 4.28Å; L28-Y42 HydrophobicContact CB-CE1 4.16Å; L28-Y42 HydrophobicContact CB-CG 3.7Å; L28-Y42 HydrophobicContact CD1-CD1 3.93Å; L28-Y42 HydrophobicContact CD1-CE1 4.49Å; L28-Y42 HydrophobicContact CG-CD1 4.44Å; L28-Y42 WeakPolarHBondContact O-CD2 3.4Å; L28-C45 HydrophobicContact CB-CB 4.14Å; L28-C45 HydrophobicContact CD1-CB 3.76Å; L28-C45 HydrophobicContact CG-CB 3.91Å; L28-C45 PolarHBondContact N-O 2.94Å; L28-C45 VanDerWaalsContact N-O 3.12Å; L28-N46 PolarHBondContact O-ND2 2.9Å; L28-V106 HydrophobicContact CB-CG1 4.34Å; L28-V106 HydrophobicContact CD2-CG1 4.18Å; L28-S107 WeakPolarHBondContact CD2-O 3.19Å; L28-T108 HydrophobicContact CD1-CG2 4.41Å; L28-T108 HydrophobicContact CD2-CG2 4.06Å
29H98.7Very high98.5Very high44 Ų4463.2 Ų63.220%0.20433%0.328CS..  trans-149.2125.9179.1-177.694.4000109.9R27 D35 N38 N46R27-H29 HydrophobicContact CG-CB 4.2Å; R27-H29 VanDerWaalsContact CZ-ND1 3.32Å; R27-H29 PolarHBondContact NH1-ND1 3.31Å; R27-H29 PolarHBondContact NH2-ND1 3.41Å; R27-H29 PolarHBondContact O-N 2.79Å; H29-D35 IonicContact CE1-OD1 3.5Å; H29-N38 WeakPolarHBondContact CA-OD1 3.27Å; H29-N38 PolarHBondContact CE1-ND2 3.18Å; H29-N38 VanDerWaalsContact CE1-ND2 3.33Å; H29-N46 WeakPolarHBondContact CB-ND2 3.48Å; H29-N46 PolarHBondContact ND1-ND2 2.88Å
30S98.5Very high98.5Very high15 Ų1568 Ų6811%0.10535%0.345CS..  trans-94.7130.9176.5177.10000110.6H32 L33 N38S30-H32 PolarHBondContact O-N 3.11Å; S30-H32 PolarHBondContact OG-N 2.88Å; S30-L33 PolarHBondContact O-N 3.36Å; S30-N38 PolarHBondContact N-OD1 2.93Å; S30-N38 PolarHBondContact O-ND2 3.36Å
31L97.4Very high98.5Very high122 Ų12269.8 Ų69.864%0.63936%0.359SS*.THydrogen-bonded Turntrans-69.5-10.3173.7-59.8178.5000113.2
32H97.9Very high98.5Very high164 Ų16469.1 Ų69.176%0.75935%0.348SS*.THydrogen-bonded Turntrans-101.61.4-178.5-55.6-56.5000113.3S30S30-H32 PolarHBondContact O-N 3.11Å; S30-H32 PolarHBondContact OG-N 2.88Å
33L98.4Very high98.5Very high57 Ų5770.8 Ų70.830%0.29837%0.365SS..SBendtrans-115.3150.1176.6-64.4-179.5000109.4S30 E37 N38 V41 Y42S30-L33 PolarHBondContact O-N 3.36Å; L33-E37 HydrophobicContact CB-CB 3.96Å; L33-E37 HydrophobicContact CD2-CB 4.29Å; L33-E37 HydrophobicContact CG-CB 4.49Å; L33-N38 WeakPolarHBondContact CB-ND2 3.35Å; L33-N38 PolarHBondContact O-ND2 3.44Å; L33-N38 VanDerWaalsContact O-ND2 3.12Å; L33-V41 HydrophobicContact CD1-CG2 4.26Å; L33-Y42 HydrophobicContact CD1-CE2 4.44Å
34T98.6Very high98.4Very high71 Ų7178.4 Ų78.444%0.43639%0.393SS..  trans-64.2167.2167.459.70000111.3E36 E37 N38T34-E36 VanDerWaalsContact C-N 3.31Å; T34-E36 PolarHBondContact O-N 3.14Å; T34-E37 WeakPolarHBondContact CB-OE2 3.14Å; T34-E37 WeakPolarHBondContact CG2-OE2 3.39Å; T34-E37 PolarHBondContact N-OE2 2.81Å; T34-E37 PolarHBondContact O-N 2.96Å; T34-E37 WeakPolarHBondContact OG1-CB 3.45Å; T34-E37 VanDerWaalsContact OG1-CD 3.24Å; T34-E37 WeakPolarHBondContact OG1-CG 3.2Å; T34-E37 PolarHBondContact OG1-N 3.25Å; T34-E37 PolarHBondContact OG1-OE2 3.45Å; T34-N38 VanDerWaalsContact O-CB 3.3Å; T34-N38 WeakPolarHBondContact O-CB 3.44Å; T34-N38 PolarHBondContact O-N 2.85Å; T34-N38 PolarHBondContact O-ND2 3.23Å
35D98.1Very high98.4Very high107 Ų10780 Ų8057%0.57240%0.404SS*.Hα-helixtrans-63.6-38.5177.1-79.8-24.8000111.7H29 K39H29-D35 IonicContact CE1-OD1 3.5Å; D35-K39 WeakPolarHBondContact O-CB 3.48Å; D35-K39 PolarHBondContact O-N 3.27Å
36E98.4Very high98.4Very high143 Ų14378.4 Ų78.467%0.66839%0.392SS*.Hα-helixtrans-63.4-48.9175.4-72.270.3-154.700111.8T34 N38 K39 E40T34-E36 VanDerWaalsContact C-N 3.31Å; T34-E36 PolarHBondContact O-N 3.14Å; E36-N38 VanDerWaalsContact C-N 3.35Å; E36-N38 PolarHBondContact O-N 3.08Å; E36-K39 PolarHBondContact O-N 3.32Å; E36-E40 PolarHBondContact O-N 3.26Å
37E98.7Very high98.4Very high86 Ų8681.8 Ų81.840%0.40241%0.41SS..Hα-helixtrans-62-42.6177.5-73.7166.514200111.3L33 T34 K39 E40 V41L33-E37 HydrophobicContact CB-CB 3.96Å; L33-E37 HydrophobicContact CD2-CB 4.29Å; L33-E37 HydrophobicContact CG-CB 4.49Å; T34-E37 WeakPolarHBondContact CB-OE2 3.14Å; T34-E37 WeakPolarHBondContact CG2-OE2 3.39Å; T34-E37 PolarHBondContact N-OE2 2.81Å; T34-E37 PolarHBondContact O-N 2.96Å; T34-E37 WeakPolarHBondContact OG1-CB 3.45Å; T34-E37 VanDerWaalsContact OG1-CD 3.24Å; T34-E37 WeakPolarHBondContact OG1-CG 3.2Å; T34-E37 PolarHBondContact OG1-N 3.25Å; T34-E37 PolarHBondContact OG1-OE2 3.45Å; E37-K39 VanDerWaalsContact C-N 3.32Å; E37-K39 PolarHBondContact O-N 3.5Å; E37-E40 PolarHBondContact O-N 2.79Å; E37-V41 WeakPolarHBondContact O-CB 3.45Å; E37-V41 VanDerWaalsContact O-CG2 3.27Å; E37-V41 WeakPolarHBondContact O-CG2 3.32Å; E37-V41 PolarHBondContact O-N 2.88Å
38N98.8Very high98.3Very high0 Ų083.3 Ų83.30%043%0.428CS..Hα-helixtrans-58.9-43.8175.3-93.2-65.8000112.3H29 S30 L33 T34 E36 E40 Y42H29-N38 WeakPolarHBondContact CA-OD1 3.27Å; H29-N38 PolarHBondContact CE1-ND2 3.18Å; H29-N38 VanDerWaalsContact CE1-ND2 3.33Å; S30-N38 PolarHBondContact N-OD1 2.93Å; S30-N38 PolarHBondContact O-ND2 3.36Å; L33-N38 WeakPolarHBondContact CB-ND2 3.35Å; L33-N38 PolarHBondContact O-ND2 3.44Å; L33-N38 VanDerWaalsContact O-ND2 3.12Å; T34-N38 VanDerWaalsContact O-CB 3.3Å; T34-N38 WeakPolarHBondContact O-CB 3.44Å; T34-N38 PolarHBondContact O-N 2.85Å; T34-N38 PolarHBondContact O-ND2 3.23Å; E36-N38 VanDerWaalsContact C-N 3.35Å; E36-N38 PolarHBondContact O-N 3.08Å; N38-E40 VanDerWaalsContact C-N 3.34Å; N38-Y42 WeakPolarHBondContact O-CB 3.32Å; N38-Y42 PolarHBondContact O-N 2.86Å; N38-Y42 WeakPolarHBondContact OD1-CE2 3.31Å
39K98.2Very high98.3Very high152 Ų15292.8 Ų92.866%0.66146%0.464SS*.Hα-helixtrans-67.5-36.7178.2-173.8179.2178.9-1770111.7D35 E36 E37 G43D35-K39 WeakPolarHBondContact O-CB 3.48Å; D35-K39 PolarHBondContact O-N 3.27Å; E36-K39 PolarHBondContact O-N 3.32Å; E37-K39 VanDerWaalsContact C-N 3.32Å; E37-K39 PolarHBondContact O-N 3.5Å; K39-G43 WeakPolarHBondContact O-CA 3.3Å; K39-G43 PolarHBondContact O-N 2.87Å
40E98.5Very high98.3Very high170 Ų17091.3 Ų91.379%0.79446%0.46SS*.Hα-helixtrans-67.9-47.5176-175172.3-177.900111.7E36 E37 N38E36-E40 PolarHBondContact O-N 3.26Å; E37-E40 PolarHBondContact O-N 2.79Å; N38-E40 VanDerWaalsContact C-N 3.34Å
41V98.6Very high98.3Very high93 Ų9393.1 Ų93.156%0.56447%0.467SS*.Hα-helixtrans-69.9-49.9-177.3172.10000112L33 E37L33-V41 HydrophobicContact CD1-CG2 4.26Å; E37-V41 WeakPolarHBondContact O-CB 3.45Å; E37-V41 VanDerWaalsContact O-CG2 3.27Å; E37-V41 WeakPolarHBondContact O-CG2 3.32Å; E37-V41 PolarHBondContact O-N 2.88Å
42Y98.4Very high98.4Very high52 Ų5289.4 Ų89.420%0.20446%0.458CS..Hα-helixtrans-101.2-10.5-170.6-59.7-61.4000113.8L28 L33 N38 K44 C45 V106L28-Y42 HydrophobicContact CB-CD1 3.63Å; L28-Y42 HydrophobicContact CB-CD2 4.28Å; L28-Y42 HydrophobicContact CB-CE1 4.16Å; L28-Y42 HydrophobicContact CB-CG 3.7Å; L28-Y42 HydrophobicContact CD1-CD1 3.93Å; L28-Y42 HydrophobicContact CD1-CE1 4.49Å; L28-Y42 HydrophobicContact CG-CD1 4.44Å; L28-Y42 WeakPolarHBondContact O-CD2 3.4Å; L33-Y42 HydrophobicContact CD1-CE2 4.44Å; N38-Y42 WeakPolarHBondContact O-CB 3.32Å; N38-Y42 PolarHBondContact O-N 2.86Å; N38-Y42 WeakPolarHBondContact OD1-CE2 3.31Å; Y42-K44 PolarHBondContact O-N 3.33Å; Y42-C45 WeakPolarHBondContact O-CB 3.3Å; Y42-C45 PolarHBondContact O-N 3.12Å; Y42-V106 HydrophobicContact CE1-CG1 4.34Å
43G98.3Very high98.4Very high37 Ų3783 Ų8338%0.38143%0.428SS..G310 helixtrans52.3-124.8174.800000113.2K39 C45 N46K39-G43 WeakPolarHBondContact O-CA 3.3Å; K39-G43 PolarHBondContact O-N 2.87Å; G43-C45 PolarHBondContact O-N 2.91Å; G43-N46 WeakPolarHBondContact O-CB 3.23Å; G43-N46 PolarHBondContact O-N 3.18Å; G43-N46 VanDerWaalsContact O-N 3.13Å
44K97.6Very high98.4Very high200 Ų20086.2 Ų86.287%0.8745%0.446SS*.G310 helixtrans-63-27-179.2-66.3-177-179.6178.50113.2Y42 N46 N47Y42-K44 PolarHBondContact O-N 3.33Å; K44-N46 PolarHBondContact O-N 2.92Å; K44-N47 PolarHBondContact O-N 2.82Å
45C98.1Very high98.4Very high41 Ų4182.8 Ų82.828%0.27743%0.425SS..G310 helixtrans-72.1-14.1178.9-58.80000112.7L28 Y42 G43 N47L28-C45 HydrophobicContact CB-CB 4.14Å; L28-C45 HydrophobicContact CD1-CB 3.76Å; L28-C45 HydrophobicContact CG-CB 3.91Å; L28-C45 PolarHBondContact N-O 2.94Å; L28-C45 VanDerWaalsContact N-O 3.12Å; Y42-C45 WeakPolarHBondContact O-CB 3.3Å; Y42-C45 PolarHBondContact O-N 3.12Å; G43-C45 PolarHBondContact O-N 2.91Å; C45-N47 VanDerWaalsContact C-N 3.3Å; C45-N47 PolarHBondContact O-N 2.71Å
46N98.7Very high98.5Very high14 Ų1480.7 Ų80.78%0.07541%0.411CS..G310 helixtrans-84.26.6173.9-160.5-111.2000114.1R27 L28 H29 G43 K44R27-N46 PolarHBondContact NE-O 3.27Å; R27-N46 PolarHBondContact NH2-O 3.46Å; R27-N46 PolarHBondContact NH2-OD1 2.87Å; R27-N46 VanDerWaalsContact NH2-OD1 3.13Å; L28-N46 PolarHBondContact O-ND2 2.9Å; H29-N46 WeakPolarHBondContact CB-ND2 3.48Å; H29-N46 PolarHBondContact ND1-ND2 2.88Å; G43-N46 WeakPolarHBondContact O-CB 3.23Å; G43-N46 PolarHBondContact O-N 3.18Å; G43-N46 VanDerWaalsContact O-N 3.13Å; K44-N46 PolarHBondContact O-N 2.92Å
47N98.5Very high98.5Very high70 Ų7074 Ų7437%0.37438%0.379SS..  trans-44.6124.6-179.6-179.337.1000111.3R27 K44 C45 Y49 G50R27-N47 WeakPolarHBondContact CD-O 3.11Å; R27-N47 WeakPolarHBondContact CG-O 3.36Å; K44-N47 PolarHBondContact O-N 2.82Å; C45-N47 VanDerWaalsContact C-N 3.3Å; C45-N47 PolarHBondContact O-N 2.71Å; N47-Y49 PolarHBondContact O-N 3.43Å; N47-G50 PolarHBondContact ND2-O 3.04Å; N47-G50 WeakPolarHBondContact O-CA 3.43Å; N47-G50 PolarHBondContact O-N 2.79Å
48P97.8Very high98.5Very high94 Ų9471.4 Ų71.461%0.6137%0.367SS*.THydrogen-bonded Turntrans-57.1-26-174.8-29.436.1000114.9
49Y98.2Very high98.5Very high217 Ų21771.4 Ų71.485%0.85137%0.367SS*.THydrogen-bonded Turntrans-94.14.5177-56.8-66.6000113.7N47N47-Y49 PolarHBondContact O-N 3.43Å
50G98.4Very high98.5Very high12 Ų1264.6 Ų64.612%0.12434%0.339CS..  trans73.6-173.1-17800000114H26 N47H26-G50 VanDerWaalsContact O-CA 3.26Å; H26-G50 WeakPolarHBondContact O-CA 3.4Å; N47-G50 PolarHBondContact ND2-O 3.04Å; N47-G50 WeakPolarHBondContact O-CA 3.43Å; N47-G50 PolarHBondContact O-N 2.79Å
51H98.8Very high98.6Very high54 Ų5456.5 Ų56.525%0.2530%0.301CS..EExtended strand (participates in β ladder)trans-153-177.3170.765.4-60.2000107.7C25 H26 H53C25-H51 CarbonylContact C-O 3.59Å; C25-H51 WeakPolarHBondContact CA-O 3.45Å; C25-H51 WeakPolarHBondContact CB-O 3.4Å; H26-H51 AromaticContact CD2-CE1 3.3Å; H26-H51 PolarHBondContact CD2-CE1 2.92Å; H26-H51 AromaticContact CD2-ND1 3.69Å; H26-H51 AromaticContact CD2-NE2 3.74Å; H26-H51 PolarHBondContact N-O 2.77Å; H26-H51 AromaticContact NE2-CE1 3.09Å; H26-H51 PolarHBondContact NE2-CE1 3.33Å; H26-H51 AromaticContact NE2-ND1 3.92Å; H26-H51 AromaticContact NE2-NE2 3.19Å; H26-H51 PolarHBondContact NE2-NE2 3.48Å; H26-H51 VanDerWaalsContact NE2-NE2 3.19Å; H26-H51 PolarHBondContact O-N 2.73Å; H26-H51 PolarHBondContact O-ND1 3.06Å; H26-H51 VanDerWaalsContact O-O 3.14Å; H51-H53 AromaticContact CD2-CE1 3.62Å; H51-H53 AromaticContact CD2-NE2 3.37Å; H51-H53 PolarHBondContact CD2-NE2 3.1Å; H51-H53 AromaticContact NE2-CE1 3.65Å; H51-H53 AromaticContact NE2-NE2 3.12Å; H51-H53 PolarHBondContact NE2-NE2 3.07Å; H51-H53 VanDerWaalsContact NE2-NE2 3.12Å
52G98.7Very high98.5Very high43 Ų4357 Ų5744%0.44329%0.292SS..EExtended strand (participates in β ladder)trans-154.2169179.600000113.8A24A24-G52 CarbonylContact O-C 3.6Å; A24-G52 WeakPolarHBondContact O-CA 3.32Å
53H98.9Very high98.5Very high31 Ų3155 Ų5514%0.14429%0.288CS..EExtended strand (participates in β ladder)trans-139.6155.6-174.1-54.2-77.3000110.9S23 A24 H26 H51 Y55 E136S23-H53 WeakPolarHBondContact CA-O 3.41Å; A24-H53 PolarHBondContact N-O 3.44Å; A24-H53 VanDerWaalsContact N-O 3.12Å; A24-H53 PolarHBondContact O-N 2.93Å; H26-H53 AromaticContact CE1-CD2 3.99Å; H26-H53 AromaticContact CE1-NE2 3.9Å; H26-H53 AromaticContact NE2-CD2 3.4Å; H26-H53 PolarHBondContact NE2-CD2 2.98Å; H26-H53 AromaticContact NE2-NE2 3.13Å; H26-H53 PolarHBondContact NE2-NE2 3.19Å; H26-H53 VanDerWaalsContact NE2-NE2 3.13Å; H51-H53 AromaticContact CD2-CE1 3.62Å; H51-H53 AromaticContact CD2-NE2 3.37Å; H51-H53 PolarHBondContact CD2-NE2 3.1Å; H51-H53 AromaticContact NE2-CE1 3.65Å; H51-H53 AromaticContact NE2-NE2 3.12Å; H51-H53 PolarHBondContact NE2-NE2 3.07Å; H51-H53 VanDerWaalsContact NE2-NE2 3.12Å; H53-Y55 HydrophobicContact CB-CD2 3.97Å; H53-Y55 HydrophobicContact CB-CE1 4.3Å; H53-Y55 HydrophobicContact CB-CE2 3.71Å; H53-Y55 HydrophobicContact CB-CG 4.38Å; H53-Y55 AromaticContact CD2-CZ 3.69Å; H53-Y55 PolarHBondContact CD2-OH 2.95Å; H53-E136 HydrophobicContact CB-CG 4.35Å; H53-E136 WeakPolarHBondContact CB-O 3.19Å; H53-E136 IonicContact NE2-OE1 3.57Å
54N98.8Very high98.4Very high123 Ų12359.2 Ų59.266%0.65830%0.296SS*.EExtended strand (participates in β ladder)trans-95.987.6163.5-64.9-37000107F22 S23F22-N54 CarbonylContact O-C 3.58Å; S23-N54 PolarHBondContact OG-OD1 3.19Å
55Y98.9Very high98.4Very high0 Ų052.9 Ų52.90%027%0.271CS..EExtended strand (participates in β ladder)trans-65.9142-179.9-66.4-87.6000109.8S21 F22 A24 H26 H53 L112 I134 H135 E136S21-Y55 WeakPolarHBondContact CA-O 3.07Å; S21-Y55 WeakPolarHBondContact CB-O 3.42Å; F22-Y55 HydrophobicContact CD2-CD2 4.2Å; F22-Y55 HydrophobicContact CE1-CG 4.22Å; F22-Y55 AromaticContact CE2-CD2 3.54Å; F22-Y55 HydrophobicContact CE2-CD2 3.54Å; F22-Y55 HydrophobicContact CE2-CE2 4.24Å; F22-Y55 HydrophobicContact CE2-CG 4.02Å; F22-Y55 AromaticContact CZ-CD2 3.76Å; F22-Y55 HydrophobicContact CZ-CD2 3.76Å; F22-Y55 AromaticContact CZ-CG 3.75Å; F22-Y55 HydrophobicContact CZ-CG 3.75Å; F22-Y55 PolarHBondContact N-O 3.33Å; F22-Y55 PolarHBondContact O-N 3.13Å; A24-Y55 HydrophobicContact CB-CD2 4.28Å; A24-Y55 HydrophobicContact CB-CE2 4.05Å; H26-Y55 PolarHBondContact CE1-OH 3.44Å; H26-Y55 PolarHBondContact ND1-OH 3.35Å; H53-Y55 HydrophobicContact CB-CD2 3.97Å; H53-Y55 HydrophobicContact CB-CE1 4.3Å; H53-Y55 HydrophobicContact CB-CE2 3.71Å; H53-Y55 HydrophobicContact CB-CG 4.38Å; H53-Y55 AromaticContact CD2-CZ 3.69Å; H53-Y55 PolarHBondContact CD2-OH 2.95Å; Y55-L112 HydrophobicContact CD1-CD2 3.95Å; Y55-L112 HydrophobicContact CE1-CD2 3.79Å; Y55-L112 HydrophobicContact CG-CD2 4.48Å; Y55-I134 HydrophobicContact CD1-CG2 3.83Å; Y55-H135 WeakPolarHBondContact CA-O 3.36Å; Y55-E136 HydrophobicContact CD1-CB 4.19Å; Y55-E136 HydrophobicContact CD1-CG 4.39Å; Y55-E136 HydrophobicContact CE1-CB 3.91Å; Y55-E136 HydrophobicContact CE1-CG 3.73Å
56K98.9Very high98.3Very high63 Ų6354 Ų5427%0.27427%0.274SS..EExtended strand (participates in β ladder)trans-117.8117.9166.7-176.4-163.466153.10108.4V19 Q20 E58 I134 H135V19-K56 HydrophobicContact CG1-CD 3.77Å; V19-K56 HydrophobicContact CG1-CG 3.57Å; Q20-K56 CarbonylContact O-C 3.42Å; K56-E58 WeakPolarHBondContact CE-OE1 3.31Å; K56-E58 IonicContact NZ-OE1 2.72Å; K56-E58 PolarHBondContact NZ-OE1 2.89Å; K56-I134 WeakPolarHBondContact O-CA 3.33Å; K56-H135 HydrophobicContact CB-CB 4.15Å; K56-H135 WeakPolarHBondContact CE-CD2 3.43Å; K56-H135 WeakPolarHBondContact CE-NE2 3.47Å; K56-H135 PolarHBondContact N-O 3.24Å; K56-H135 PolarHBondContact NZ-CD2 2.99Å; K56-H135 PolarHBondContact NZ-CE1 3.09Å; K56-H135 VanDerWaalsContact NZ-CE1 3.35Å; K56-H135 PolarHBondContact NZ-NE2 3.27Å; K56-H135 PolarHBondContact O-N 3.15Å
57V98.8Very high98.1Very high1 Ų159.3 Ų59.31%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-105.6132.7178.4-174.90000109.5V19 Q20 F22 V59 I86 I116 I132 R133 I134V19-V57 CarbonylContact C-O 3.53Å; V19-V57 WeakPolarHBondContact CA-O 3.47Å; Q20-V57 PolarHBondContact N-O 3.19Å; Q20-V57 PolarHBondContact O-N 3.08Å; F22-V57 HydrophobicContact CD1-CG2 4.04Å; F22-V57 HydrophobicContact CE1-CG2 3.56Å; V57-V59 HydrophobicContact CG1-CG2 4.07Å; V57-I86 HydrophobicContact CB-CD1 4.46Å; V57-I86 HydrophobicContact CG1-CD1 3.92Å; V57-I116 HydrophobicContact CG1-CD1 4.27Å; V57-I116 HydrophobicContact CG2-CD1 3.98Å; V57-I132 HydrophobicContact CG1-CG2 4.34Å; V57-R133 CarbonylContact C-O 3.59Å; V57-R133 WeakPolarHBondContact CA-O 3.44Å; V57-I134 HydrophobicContact CG1-CG1 4.38Å; V57-I134 HydrophobicContact CG2-CD1 4.48Å; V57-I134 HydrophobicContact CG2-CG1 4.17Å; V57-I134 HydrophobicContact CG2-CG2 4.35Å
58E98.9Very high98Very high32 Ų3262.3 Ų62.315%0.1533%0.33CS..EExtended strand (participates in β ladder)trans-112.8115.2170.6-41.8-171.8169.500107.9T17 V19 K56 R133 H135T17-E58 HydrophobicContact CG2-CB 3.72Å; V19-E58 HydrophobicContact CG1-CG 4.28Å; V19-E58 HydrophobicContact CG2-CB 4.35Å; V19-E58 HydrophobicContact CG2-CG 3.96Å; K56-E58 WeakPolarHBondContact CE-OE1 3.31Å; K56-E58 IonicContact NZ-OE1 2.72Å; K56-E58 PolarHBondContact NZ-OE1 2.89Å; E58-R133 HydrophobicContact CB-CB 4.17Å; E58-R133 PolarHBondContact N-O 2.94Å; E58-R133 PolarHBondContact O-N 2.99Å; E58-H135 IonicContact OE1-NE2 3.9Å
59V98.9Very high97.9Very high1 Ų161.7 Ų61.71%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-99.9117.9175.2-178.10000108.2T17 R18 V57 L78 I82 I86 M120 L129 I132T17-V59 WeakPolarHBondContact CA-O 3.29Å; R18-V59 PolarHBondContact N-O 3.17Å; R18-V59 PolarHBondContact O-N 3.4Å; V57-V59 HydrophobicContact CG1-CG2 4.07Å; V59-L78 HydrophobicContact CG1-CD1 4.21Å; V59-I82 HydrophobicContact CB-CD1 3.94Å; V59-I82 HydrophobicContact CB-CG1 4.38Å; V59-I82 HydrophobicContact CG2-CD1 3.83Å; V59-I82 HydrophobicContact CG2-CG1 3.94Å; V59-I86 HydrophobicContact CG2-CD1 3.81Å; V59-M120 HydrophobicContact CG1-CE 3.72Å; V59-M120 HydrophobicContact CG2-CE 4.48Å; V59-L129 HydrophobicContact CG1-CD1 3.94Å; V59-I132 HydrophobicContact CB-CD1 4.19Å; V59-I132 HydrophobicContact CG1-CD1 3.89Å; V59-I132 HydrophobicContact CG2-CD1 3.81Å
60T98.9Very high97.8Very high9 Ų953.9 Ų53.96%0.05531%0.31CS..EExtended strand (participates in β ladder)trans-107.6126.3177.2-53.60000110.6Y15 I16 T17 Y130 E131Y15-T60 HydrophobicContact CD1-CG2 4.29Å; I16-T60 CarbonylContact O-C 3.6Å; I16-T60 VanDerWaalsContact O-CA 3.29Å; I16-T60 WeakPolarHBondContact O-CA 3.14Å; T17-T60 WeakPolarHBondContact OG1-CG2 3.4Å; T17-T60 PolarHBondContact OG1-OG1 3.36Å; T60-Y130 HydrophobicContact CG2-CD1 3.89Å; T60-Y130 WeakPolarHBondContact O-CB 3.25Å; T60-Y130 PolarHBondContact O-N 2.95Å; T60-E131 PolarHBondContact N-O 2.87Å; T60-E131 PolarHBondContact O-N 2.7Å
61V98.7Very high97.8Very high0 Ų056.8 Ų56.80%032%0.321CS..EExtended strand (participates in β ladder)trans-108.4148.6168.1-59.80000110.4Y15 I16 V72 M73 L78 L124 L128Y15-V61 CarbonylContact C-O 3.59Å; Y15-V61 VanDerWaalsContact CA-O 3.31Å; Y15-V61 WeakPolarHBondContact CA-O 3.46Å; I16-V61 HydrophobicContact CB-CG2 3.84Å; I16-V61 PolarHBondContact N-O 3.02Å; I16-V61 PolarHBondContact O-N 3.48Å; V61-V72 HydrophobicContact CG2-CG1 4.5Å; V61-M73 HydrophobicContact CG2-CB 4.39Å; V61-L78 HydrophobicContact CG1-CD1 4.06Å; V61-L78 HydrophobicContact CG2-CD2 4.3Å; V61-L124 HydrophobicContact CG1-CD1 3.9Å; V61-L128 CarbonylContact C-O 3.44Å; V61-L128 WeakPolarHBondContact CA-O 3.41Å; V61-L128 WeakPolarHBondContact CB-O 3.26Å
62R98.3Very high97.7Very high102 Ų10255.2 Ų55.239%0.38532%0.316SS..EExtended strand (participates in β ladder)trans-130.2134.8-178.6177.5-170.4-179.9-96.6-1.3109.5I13 G14 Y15 L128 Y130I13-R62 HydrophobicContact CG2-CG 3.8Å; G14-R62 WeakPolarHBondContact O-CA 3.33Å; Y15-R62 HydrophobicContact CD1-CB 3.77Å; Y15-R62 HydrophobicContact CD1-CG 3.84Å; Y15-R62 HydrophobicContact CE1-CB 3.76Å; Y15-R62 HydrophobicContact CE1-CG 3.42Å; Y15-R62 VanDerWaalsContact CE1-CG 3.42Å; Y15-R62 HydrophobicContact CE2-CG 4.39Å; Y15-R62 HydrophobicContact CG-CG 4.49Å; Y15-R62 WeakPolarHBondContact OH-CD 3.43Å; Y15-R62 PolarHBondContact OH-NE 2.88Å; R62-L128 PolarHBondContact N-O 2.8Å; R62-L128 WeakPolarHBondContact O-CD2 3.29Å; R62-Y130 HydrophobicContact CB-CD2 4.08Å; R62-Y130 HydrophobicContact CB-CG 3.96Å; R62-Y130 HydrophobicContact CG-CD2 4.49Å
63G97.4Very high97.7Very high12 Ų1254.4 Ų54.412%0.12430%0.3CS..EExtended strand (participates in β ladder)trans-176.3-177.2176.900000113.5I13 G14 V72I13-G63 WeakPolarHBondContact CA-O 3.5Å; G14-G63 PolarHBondContact N-O 3.1Å; G14-G63 PolarHBondContact O-N 2.95Å; G14-G63 VanDerWaalsContact O-N 3.11Å; G63-V72 VanDerWaalsContact N-CG1 3.35Å
64K96.9Very high97.6Very high124 Ų12456 Ų5654%0.53931%0.31SS..EExtended strand (participates in β ladder)trans-69.4138.2176.6-60.9174.4-176.2-157.20109.2E11 I13 D66E11-K64 HydrophobicContact CG-CD 4.15Å; E11-K64 HydrophobicContact CG-CG 3.99Å; E11-K64 WeakPolarHBondContact OE1-CD 2.94Å; E11-K64 WeakPolarHBondContact OE1-CE 3.41Å; E11-K64 IonicContact OE1-NZ 2.61Å; E11-K64 PolarHBondContact OE1-NZ 2.87Å; E11-K64 WeakPolarHBondContact OE2-CE 3.46Å; E11-K64 IonicContact OE2-NZ 3.16Å; E11-K64 PolarHBondContact OE2-NZ 2.95Å; E11-K64 VanDerWaalsContact OE2-NZ 3.16Å; I13-K64 HydrophobicContact CD1-CG 3.88Å; K64-D66 PolarHBondContact O-N 2.91Å
65I97Very high97.6Very high67 Ų6754.3 Ų54.334%0.34430%0.301SS..  trans-77.1114.4170.2-59.9175.8000107.3R12 G70 V72R12-I65 HydrophobicContact CB-CB 4.48Å; R12-I65 HydrophobicContact CB-CD1 4.14Å; R12-I65 PolarHBondContact O-N 2.84Å; I65-G70 WeakPolarHBondContact CG2-O 3.4Å; I65-V72 HydrophobicContact CG1-CG2 3.96Å
66D95.6Very high97.5Very high65 Ų6559 Ų5935%0.34833%0.329SS..  trans-60.1128177.8174.8-92.4000110.2K64 V68 T69 G70 M71K64-D66 PolarHBondContact O-N 2.91Å; D66-V68 PolarHBondContact O-N 2.82Å; D66-V68 PolarHBondContact OD1-N 2.93Å; D66-T69 VanDerWaalsContact CB-OG1 3.32Å; D66-T69 WeakPolarHBondContact CB-OG1 3.29Å; D66-T69 WeakPolarHBondContact OD1-CB 3.31Å; D66-T69 WeakPolarHBondContact OD1-CG2 3.42Å; D66-T69 PolarHBondContact OD1-N 3.15Å; D66-T69 PolarHBondContact OD1-OG1 2.84Å; D66-G70 WeakPolarHBondContact O-CA 3.35Å; D66-G70 PolarHBondContact O-N 3.36Å; D66-M71 WeakPolarHBondContact CB-O 3.37Å; D66-M71 PolarHBondContact N-O 2.99Å
67P94.8Very high97.5Very high126 Ų12658.6 Ų58.682%0.81833%0.33SS*.THydrogen-bonded Turntrans-72.5-15.5-171.328.4-35.6000113.8
68V95.9Very high97.4Very high133 Ų13358.6 Ų58.681%0.80633%0.33SS*.THydrogen-bonded Turntrans-93.3-47.4-178.9-179.50000110.4D66D66-V68 PolarHBondContact O-N 2.82Å; D66-V68 PolarHBondContact OD1-N 2.93Å
69T97Very high97.4Very high81 Ų8162.3 Ų62.350%0.49735%0.346SS..THydrogen-bonded Turntrans-93.5-20.9-174.864.40000113.4D66 M71D66-T69 VanDerWaalsContact CB-OG1 3.32Å; D66-T69 WeakPolarHBondContact CB-OG1 3.29Å; D66-T69 WeakPolarHBondContact OD1-CB 3.31Å; D66-T69 WeakPolarHBondContact OD1-CG2 3.42Å; D66-T69 PolarHBondContact OD1-N 3.15Å; D66-T69 PolarHBondContact OD1-OG1 2.84Å; T69-M71 VanDerWaalsContact C-N 3.26Å; T69-M71 HydrophobicContact CG2-CE 4.19Å; T69-M71 PolarHBondContact O-N 2.98Å; T69-M71 PolarHBondContact OG1-N 3.26Å
70G96.3Very high97.4Very high53 Ų5368.9 Ų68.955%0.54637%0.371SS..  trans72.714.6-176.200000114.4I65 D66I65-G70 WeakPolarHBondContact CG2-O 3.4Å; D66-G70 WeakPolarHBondContact O-CA 3.35Å; D66-G70 PolarHBondContact O-N 3.36Å
71M97.3Very high97.4Very high72 Ų7269 Ų6936%0.35537%0.372SS..  trans-109.1147.6-175.1-63.1-172-75.900112.2D66 T69 N74D66-M71 WeakPolarHBondContact CB-O 3.37Å; D66-M71 PolarHBondContact N-O 2.99Å; T69-M71 VanDerWaalsContact C-N 3.26Å; T69-M71 HydrophobicContact CG2-CE 4.19Å; T69-M71 PolarHBondContact O-N 2.98Å; T69-M71 PolarHBondContact OG1-N 3.26Å; M71-N74 HydrophobicContact CE-CB 4.45Å; M71-N74 HydrophobicContact SD-CB 4.39Å
72V97.6Very high97.4Very high22 Ų2269.1 Ų69.113%0.13337%0.372CS..SBendtrans-77.4-43161.5173.20000110.2I16 V61 G63 I65I16-V72 HydrophobicContact CD1-CB 3.77Å; I16-V72 HydrophobicContact CD1-CG2 4.47Å; I16-V72 HydrophobicContact CG1-CB 4.13Å; I16-V72 HydrophobicContact CG1-CG2 4.45Å; V61-V72 HydrophobicContact CG2-CG1 4.5Å; G63-V72 VanDerWaalsContact N-CG1 3.35Å; I65-V72 HydrophobicContact CG1-CG2 3.96Å
73M97.4Very high97.4Very high25 Ų2568.3 Ų68.312%0.12337%0.373CS..SBendtrans-152.7148.7176.6-176.9179.8-171.300108V61 L75 D77 L78 L124 L128V61-M73 HydrophobicContact CG2-CB 4.39Å; M73-L75 PolarHBondContact O-N 3.37Å; M73-D77 HydrophobicContact CE-CB 3.75Å; M73-L78 HydrophobicContact CE-CB 4.46Å; M73-L78 HydrophobicContact SD-CB 4.02Å; M73-L78 HydrophobicContact SD-CD1 4.42Å; M73-L124 HydrophobicContact CE-CD2 3.53Å; M73-L124 HydrophobicContact SD-CD2 3.84Å; M73-L128 HydrophobicContact SD-CD1 4.45Å
74N97.9Very high97.5Very high65 Ų6572.8 Ų72.835%0.34839%0.39SS..  trans-65.2123.7170.7-174.6-22.4000110.1M71 T76 D77 L78M71-N74 HydrophobicContact CE-CB 4.45Å; M71-N74 HydrophobicContact SD-CB 4.39Å; N74-T76 PolarHBondContact O-N 3.33Å; N74-T76 WeakPolarHBondContact OD1-CB 3.23Å; N74-T76 PolarHBondContact OD1-N 3Å; N74-T76 PolarHBondContact OD1-OG1 3.46Å; N74-D77 HydrophobicContact CB-CB 4.45Å; N74-D77 WeakPolarHBondContact CB-OD2 3.27Å; N74-D77 PolarHBondContact O-N 3.27Å; N74-D77 VanDerWaalsContact O-N 3.08Å; N74-L78 PolarHBondContact O-N 3.2Å; N74-L78 VanDerWaalsContact O-N 3.15Å
75L97.3Very high97.6Very high88 Ų8867.5 Ų67.546%0.46137%0.369SS..Hα-helixtrans-61.7-25.3-179.6-74.2173.6000113.6I16 M73 K79I16-L75 HydrophobicContact CG2-CD2 3.46Å; I16-L75 VanDerWaalsContact CG2-CD2 3.46Å; M73-L75 PolarHBondContact O-N 3.37Å; L75-K79 WeakPolarHBondContact O-CB 3.46Å; L75-K79 PolarHBondContact O-N 2.87Å
76T97.9Very high97.7Very high98 Ų9864.3 Ų64.360%0.60135%0.352SS*.Hα-helixtrans-68.6-39.9176-52.20000110.8N74 K79 R80N74-T76 PolarHBondContact O-N 3.33Å; N74-T76 WeakPolarHBondContact OD1-CB 3.23Å; N74-T76 PolarHBondContact OD1-N 3Å; N74-T76 PolarHBondContact OD1-OG1 3.46Å; T76-K79 PolarHBondContact O-N 2.92Å; T76-R80 PolarHBondContact O-N 3.25Å; T76-R80 VanDerWaalsContact O-N 3.07Å
77D98.1Very high97.8Very high55 Ų5562.2 Ų62.229%0.29434%0.341SS..Hα-helixtrans-69.1-44.3176.1-70.1-48.4000111.1M73 N74 K79 R80 C81M73-D77 HydrophobicContact CE-CB 3.75Å; N74-D77 HydrophobicContact CB-CB 4.45Å; N74-D77 WeakPolarHBondContact CB-OD2 3.27Å; N74-D77 PolarHBondContact O-N 3.27Å; N74-D77 VanDerWaalsContact O-N 3.08Å; D77-K79 VanDerWaalsContact C-N 3.28Å; D77-K79 PolarHBondContact O-N 3.22Å; D77-R80 WeakPolarHBondContact O-CB 3.39Å; D77-R80 PolarHBondContact O-N 2.81Å; D77-R80 VanDerWaalsContact O-N 3.1Å; D77-R80 IonicContact OD1-CZ 3.79Å; D77-R80 IonicContact OD1-NE 2.71Å; D77-R80 IonicContact OD1-NH2 2.85Å; D77-R80 PolarHBondContact OD1-NH2 2.94Å; D77-C81 PolarHBondContact O-N 3.36Å; D77-C81 PolarHBondContact O-SG 3.24Å; D77-C81 VanDerWaalsContact O-SG 3.36Å
78L98.4Very high98Very high1 Ų161.5 Ų61.51%0.00533%0.329CS..Hα-helixtrans-59.8-40175-178.358000111.8I16 R18 V59 V61 M73 N74 C81 I82 M120 L124I16-L78 HydrophobicContact CG2-CD2 4.07Å; R18-L78 HydrophobicContact CB-CD2 3.75Å; R18-L78 HydrophobicContact CB-CG 4.27Å; V59-L78 HydrophobicContact CG1-CD1 4.21Å; V61-L78 HydrophobicContact CG1-CD1 4.06Å; V61-L78 HydrophobicContact CG2-CD2 4.3Å; M73-L78 HydrophobicContact CE-CB 4.46Å; M73-L78 HydrophobicContact SD-CB 4.02Å; M73-L78 HydrophobicContact SD-CD1 4.42Å; N74-L78 PolarHBondContact O-N 3.2Å; N74-L78 VanDerWaalsContact O-N 3.15Å; L78-C81 PolarHBondContact O-N 2.84Å; L78-I82 HydrophobicContact CD1-CD1 4.33Å; L78-I82 HydrophobicContact CD1-CG1 4.44Å; L78-I82 HydrophobicContact CG-CD1 4.23Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.29Å; L78-M120 HydrophobicContact CD1-CE 4.16Å; L78-L124 HydrophobicContact CD1-CD2 4.32Å
79K98.5Very high98.1Very high110 Ų11056.6 Ų56.648%0.47830%0.3SS..Hα-helixtrans-59.7-45.6174.3-178.9-177176.5-1720111.3L75 T76 D77 I82 E83L75-K79 WeakPolarHBondContact O-CB 3.46Å; L75-K79 PolarHBondContact O-N 2.87Å; T76-K79 PolarHBondContact O-N 2.92Å; D77-K79 VanDerWaalsContact C-N 3.28Å; D77-K79 PolarHBondContact O-N 3.22Å; K79-I82 PolarHBondContact O-N 2.86Å; K79-E83 PolarHBondContact O-N 2.88Å
80R98.6Very high98.2Very high139 Ų13952.8 Ų52.853%0.52528%0.276SS..Hα-helixtrans-62.5-44.8179.1175.1172.954.3137-3.3111.8T76 D77 I82 E83 E84T76-R80 PolarHBondContact O-N 3.25Å; T76-R80 VanDerWaalsContact O-N 3.07Å; D77-R80 WeakPolarHBondContact O-CB 3.39Å; D77-R80 PolarHBondContact O-N 2.81Å; D77-R80 VanDerWaalsContact O-N 3.1Å; D77-R80 IonicContact OD1-CZ 3.79Å; D77-R80 IonicContact OD1-NE 2.71Å; D77-R80 IonicContact OD1-NH2 2.85Å; D77-R80 PolarHBondContact OD1-NH2 2.94Å; R80-I82 VanDerWaalsContact C-N 3.33Å; R80-I82 PolarHBondContact O-N 2.78Å; R80-E83 WeakPolarHBondContact O-CB 3.49Å; R80-E83 PolarHBondContact O-N 2.85Å; R80-E84 WeakPolarHBondContact CG-OE1 3.33Å; R80-E84 WeakPolarHBondContact O-CG 3.34Å; R80-E84 PolarHBondContact O-N 2.9Å
81C98.6Very high98.3Very high11 Ų1152.4 Ų52.47%0.07426%0.262CS..Hα-helixtrans-60-43.5175.7-61.90000111.8D77 L78 E83 E84 V85 M120 A123 L124D77-C81 PolarHBondContact O-N 3.36Å; D77-C81 PolarHBondContact O-SG 3.24Å; D77-C81 VanDerWaalsContact O-SG 3.36Å; L78-C81 PolarHBondContact O-N 2.84Å; C81-E83 VanDerWaalsContact C-N 3.34Å; C81-E83 PolarHBondContact O-N 3.32Å; C81-E84 PolarHBondContact O-N 3.07Å; C81-V85 VanDerWaalsContact O-CB 3.31Å; C81-V85 WeakPolarHBondContact O-CB 3.29Å; C81-V85 WeakPolarHBondContact O-CG2 3.03Å; C81-V85 PolarHBondContact O-N 2.95Å; C81-M120 HydrophobicContact CB-CE 3.93Å; C81-M120 HydrophobicContact CB-SD 4.3Å; C81-A123 HydrophobicContact CB-CB 4.37Å; C81-L124 HydrophobicContact CB-CD2 4.23Å
82I98.8Very high98.4Very high2 Ų256.1 Ų56.11%0.0128%0.278CS..Hα-helixtrans-62.6-40.7175.8-72176.8000111.5R18 Q20 V59 L78 K79 R80 I86 M87 M120R18-I82 HydrophobicContact CB-CD1 3.86Å; R18-I82 HydrophobicContact CG-CD1 3.77Å; Q20-I82 HydrophobicContact CB-CG2 3.96Å; Q20-I82 HydrophobicContact CG-CG2 3.98Å; V59-I82 HydrophobicContact CB-CD1 3.94Å; V59-I82 HydrophobicContact CB-CG1 4.38Å; V59-I82 HydrophobicContact CG2-CD1 3.83Å; V59-I82 HydrophobicContact CG2-CG1 3.94Å; L78-I82 HydrophobicContact CD1-CD1 4.33Å; L78-I82 HydrophobicContact CD1-CG1 4.44Å; L78-I82 HydrophobicContact CG-CD1 4.23Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.29Å; K79-I82 PolarHBondContact O-N 2.86Å; R80-I82 VanDerWaalsContact C-N 3.33Å; R80-I82 PolarHBondContact O-N 2.78Å; I82-I86 HydrophobicContact CG1-CD1 4.38Å; I82-I86 HydrophobicContact CG2-CB 4.41Å; I82-I86 HydrophobicContact CG2-CD1 4.13Å; I82-I86 WeakPolarHBondContact O-CA 3.4Å; I82-I86 VanDerWaalsContact O-CB 3.28Å; I82-I86 WeakPolarHBondContact O-CB 3.42Å; I82-I86 PolarHBondContact O-N 2.72Å; I82-M87 PolarHBondContact O-N 2.99Å; I82-M120 HydrophobicContact CG1-CE 3.97Å
83E98.8Very high98.5Very high85 Ų8558.9 Ų58.940%0.39729%0.288SS..Iπ-helixtrans-60.2-48.4176.8-17166.6-161.200111.4K79 R80 C81 M87 I88K79-E83 PolarHBondContact O-N 2.88Å; R80-E83 WeakPolarHBondContact O-CB 3.49Å; R80-E83 PolarHBondContact O-N 2.85Å; C81-E83 VanDerWaalsContact C-N 3.34Å; C81-E83 PolarHBondContact O-N 3.32Å; E83-M87 PolarHBondContact O-N 3.33Å; E83-M87 WeakPolarHBondContact OE2-CG 3.33Å; E83-I88 HydrophobicContact CG-CD1 4.22Å; E83-I88 HydrophobicContact CG-CG1 4.47Å; E83-I88 PolarHBondContact O-N 3.32Å
84E98.7Very high98.5Very high106 Ų10658.9 Ų58.950%0.49529%0.289SS..Iπ-helixtrans-68-39.6-178.3-70.6172.4-170.700112.9R80 C81 P89R80-E84 WeakPolarHBondContact CG-OE1 3.33Å; R80-E84 WeakPolarHBondContact O-CG 3.34Å; R80-E84 PolarHBondContact O-N 2.9Å; C81-E84 PolarHBondContact O-N 3.07Å; E84-P89 VanDerWaalsContact O-CD 3.29Å; E84-P89 WeakPolarHBondContact O-CD 3.33Å
85V98.6Very high98.6Very high14 Ų1455.8 Ų55.89%0.08527%0.272CS..Iπ-helixtrans-92.9-30.9-172.1172.30000113.4C81 P89 N119 M120 A123C81-V85 VanDerWaalsContact O-CB 3.31Å; C81-V85 WeakPolarHBondContact O-CB 3.29Å; C81-V85 WeakPolarHBondContact O-CG2 3.03Å; C81-V85 PolarHBondContact O-N 2.95Å; V85-P89 VanDerWaalsContact C-CG 3.48Å; V85-P89 WeakPolarHBondContact O-CG 3.48Å; V85-N119 HydrophobicContact CB-CB 4.39Å; V85-N119 HydrophobicContact CG1-CB 3.39Å; V85-N119 HydrophobicContact CG2-CB 4.2Å; V85-M120 HydrophobicContact CB-CG 4.32Å; V85-M120 HydrophobicContact CB-SD 3.61Å; V85-M120 HydrophobicContact CG1-CG 3.77Å; V85-M120 HydrophobicContact CG1-SD 3.75Å; V85-M120 HydrophobicContact CG2-SD 3.8Å; V85-A123 HydrophobicContact CG2-CB 3.93Å
86I98.8Very high98.6Very high0 Ų053.6 Ų53.60%026%0.261CS..Iπ-helixtrans-112.3-58.3-173.6-59.9169.5000109.8F22 V57 V59 I82 L90 I116F22-I86 HydrophobicContact CD1-CG2 3.65Å; F22-I86 HydrophobicContact CE1-CG2 3.96Å; F22-I86 HydrophobicContact CG-CG2 4.47Å; V57-I86 HydrophobicContact CB-CD1 4.46Å; V57-I86 HydrophobicContact CG1-CD1 3.92Å; V59-I86 HydrophobicContact CG2-CD1 3.81Å; I82-I86 HydrophobicContact CG1-CD1 4.38Å; I82-I86 HydrophobicContact CG2-CB 4.41Å; I82-I86 HydrophobicContact CG2-CD1 4.13Å; I82-I86 WeakPolarHBondContact O-CA 3.4Å; I82-I86 VanDerWaalsContact O-CB 3.28Å; I82-I86 WeakPolarHBondContact O-CB 3.42Å; I82-I86 PolarHBondContact O-N 2.72Å; I86-L90 HydrophobicContact CG2-CD1 4.17Å; I86-L90 WeakPolarHBondContact O-CB 3.42Å; I86-L90 WeakPolarHBondContact O-CG 3.12Å; I86-L90 PolarHBondContact O-N 3.33Å; I86-I116 HydrophobicContact CD1-CD1 4.36Å; I86-I116 HydrophobicContact CD1-CG2 3.74Å; I86-I116 HydrophobicContact CG1-CD1 4.11Å; I86-I116 HydrophobicContact CG1-CG1 4.22Å; I86-I116 HydrophobicContact CG1-CG2 3.86Å
87M98.8Very high98.7Very high21 Ų2157 Ų5710%0.10327%0.267CS..Iπ-helixtrans-69.2-54.5-168.3-60.7-52-61.700112.8Q20 S21 F22 I82 E83 L90 D91Q20-M87 HydrophobicContact CG-CE 4.44Å; Q20-M87 HydrophobicContact CG-CG 4.08Å; Q20-M87 HydrophobicContact CG-SD 3.28Å; Q20-M87 WeakPolarHBondContact CG-SD 3.28Å; S21-M87 WeakPolarHBondContact O-CE 3.41Å; F22-M87 HydrophobicContact CB-CE 4.06Å; F22-M87 HydrophobicContact CB-SD 4.05Å; I82-M87 PolarHBondContact O-N 2.99Å; E83-M87 PolarHBondContact O-N 3.33Å; E83-M87 WeakPolarHBondContact OE2-CG 3.33Å; M87-L90 PolarHBondContact O-N 2.85Å; M87-D91 HydrophobicContact CE-CB 3.75Å; M87-D91 WeakPolarHBondContact O-CB 3.49Å; M87-D91 PolarHBondContact O-N 3.04Å
88I98.8Very high98.7Very high111 Ų11158.8 Ų58.857%0.56928%0.277SS*.Hα-helixtrans-58.1-47.4-179.2-72.3164.4000112.6E83E83-I88 HydrophobicContact CG-CD1 4.22Å; E83-I88 HydrophobicContact CG-CG1 4.47Å; E83-I88 PolarHBondContact O-N 3.32Å
89P98.7Very high98.7Very high30 Ų3059 Ų5920%0.19528%0.278CS..Hα-helixtrans-83-21.9-177.528.5-33.7000114.8E84 V85 K93 V99E84-P89 VanDerWaalsContact O-CD 3.29Å; E84-P89 WeakPolarHBondContact O-CD 3.33Å; V85-P89 VanDerWaalsContact C-CG 3.48Å; V85-P89 WeakPolarHBondContact O-CG 3.48Å; P89-K93 WeakPolarHBondContact O-CG 3.36Å; P89-V99 WeakPolarHBondContact O-CG2 3.37Å
90L98.8Very high98.7Very high0 Ų059.1 Ų59.10%029%0.29CS..Hα-helixtrans-116.9-27.8-170.3-50.4175.5000114.7F22 I86 M87 K93 L95 V99 L112 Y115 I116F22-L90 HydrophobicContact CD2-CB 3.81Å; F22-L90 HydrophobicContact CE1-CD1 4.14Å; F22-L90 HydrophobicContact CE2-CB 3.64Å; F22-L90 HydrophobicContact CE2-CD1 4.35Å; F22-L90 HydrophobicContact CG-CB 4.35Å; F22-L90 HydrophobicContact CZ-CB 4.03Å; F22-L90 HydrophobicContact CZ-CD1 3.88Å; I86-L90 HydrophobicContact CG2-CD1 4.17Å; I86-L90 WeakPolarHBondContact O-CB 3.42Å; I86-L90 WeakPolarHBondContact O-CG 3.12Å; I86-L90 PolarHBondContact O-N 3.33Å; M87-L90 PolarHBondContact O-N 2.85Å; L90-K93 WeakPolarHBondContact O-CB 3.34Å; L90-K93 PolarHBondContact O-N 2.93Å; L90-L95 HydrophobicContact CD2-CD2 3.94Å; L90-V99 HydrophobicContact CD2-CG1 4.31Å; L90-V99 HydrophobicContact CD2-CG2 3.89Å; L90-L112 HydrophobicContact CD1-CD1 3.98Å; L90-L112 HydrophobicContact CD2-CD1 4.44Å; L90-Y115 HydrophobicContact CD1-CD1 4.41Å; L90-Y115 HydrophobicContact CD1-CE1 4.15Å; L90-Y115 HydrophobicContact CD2-CD1 4.31Å; L90-Y115 HydrophobicContact CD2-CE1 3.75Å; L90-Y115 HydrophobicContact CG-CE1 4.24Å; L90-I116 HydrophobicContact CD1-CD1 3.94Å; L90-I116 HydrophobicContact CD1-CG1 4.01Å
91D98.9Very high98.7Very high45 Ų4555.9 Ų55.924%0.24128%0.278CS..THydrogen-bonded Turntrans-73.3134.1-175.3-16950.4000112.4F22 S23 M87 K93F22-D91 VanDerWaalsContact CA-OD1 3.25Å; F22-D91 WeakPolarHBondContact CA-OD1 3.33Å; F22-D91 HydrophobicContact CB-CB 3.85Å; F22-D91 WeakPolarHBondContact CB-OD1 3.39Å; S23-D91 PolarHBondContact N-OD1 3.14Å; M87-D91 HydrophobicContact CE-CB 3.75Å; M87-D91 WeakPolarHBondContact O-CB 3.49Å; M87-D91 PolarHBondContact O-N 3.04Å; D91-K93 WeakPolarHBondContact O-CG 3.45Å; D91-K93 PolarHBondContact O-N 3.41Å
92H98.8Very high98.7Very high150 Ų15055.7 Ų55.769%0.69428%0.276SS*.THydrogen-bonded Turntrans53.536.4-174.1-7074.2000113.5S23S23-H92 VanDerWaalsContact O-CA 3.29Å; S23-H92 WeakPolarHBondContact O-CA 3.44Å; S23-H92 PolarHBondContact O-N 3.49Å
93K98.8Very high98.7Very high81 Ų8158.8 Ų58.835%0.35230%0.302SS..EExtended strand (participates in β ladder)trans-113.4159.6178.5-61-53.3-177.3176.60113.2A24 C25 P89 L90 D91 D98A24-K93 CarbonylContact C-O 3.54Å; A24-K93 VanDerWaalsContact CA-O 3.26Å; A24-K93 WeakPolarHBondContact CA-O 3.29Å; A24-K93 WeakPolarHBondContact CB-O 3.29Å; C25-K93 PolarHBondContact N-O 3.43Å; P89-K93 WeakPolarHBondContact O-CG 3.36Å; L90-K93 WeakPolarHBondContact O-CB 3.34Å; L90-K93 PolarHBondContact O-N 2.93Å; D91-K93 WeakPolarHBondContact O-CG 3.45Å; D91-K93 PolarHBondContact O-N 3.41Å; K93-D98 HydrophobicContact CB-CB 4.08Å; K93-D98 HydrophobicContact CD-CB 4.02Å; K93-D98 HydrophobicContact CG-CB 4.35Å
94N98.9Very high98.6Very high25 Ų2560.4 Ų60.413%0.13431%0.314CS..EExtended strand (participates in β ladder)trans-88.5117.2156-176.2-67.4000109C25 D96 K97 D98C25-N94 CarbonylContact O-C 3.58Å; C25-N94 VanDerWaalsContact O-CA 3.29Å; C25-N94 WeakPolarHBondContact O-CA 3.32Å; C25-N94 VanDerWaalsContact SG-CA 3.59Å; C25-N94 VanDerWaalsContact SG-CB 3.56Å; C25-N94 PolarHBondContact SG-ND2 3.49Å; N94-D96 PolarHBondContact O-N 2.96Å; N94-D96 PolarHBondContact OD1-N 3.26Å; N94-D96 VanDerWaalsContact OD1-N 3.14Å; N94-K97 HydrophobicContact CB-CB 4.07Å; N94-K97 PolarHBondContact O-N 3.12Å; N94-K97 WeakPolarHBondContact OD1-CB 3.35Å; N94-K97 WeakPolarHBondContact OD1-CG 3.23Å; N94-K97 PolarHBondContact OD1-N 2.79Å; N94-D98 PolarHBondContact N-OD2 2.95Å; N94-D98 VanDerWaalsContact O-CB 3.3Å; N94-D98 WeakPolarHBondContact O-CB 3.48Å; N94-D98 PolarHBondContact O-N 3.33Å
95L98.9Very high98.6Very high0 Ų057.2 Ų57.20%030%0.301CS..Hα-helixtrans-57.4-49.8-176-62-176.1000111.4A24 C25 H26 L90 K97 V99 F102 L112A24-L95 HydrophobicContact CB-CD2 3.87Å; A24-L95 HydrophobicContact CB-CG 4.06Å; C25-L95 PolarHBondContact O-N 2.98Å; H26-L95 HydrophobicContact CB-CB 4.05Å; H26-L95 HydrophobicContact CB-CD1 4.04Å; H26-L95 HydrophobicContact CB-CG 4.21Å; L90-L95 HydrophobicContact CD2-CD2 3.94Å; L95-K97 VanDerWaalsContact C-N 3.29Å; L95-K97 PolarHBondContact O-N 2.96Å; L95-V99 HydrophobicContact CD2-CG2 4.42Å; L95-V99 WeakPolarHBondContact O-CB 3.12Å; L95-V99 PolarHBondContact O-N 3.38Å; L95-F102 HydrophobicContact CB-CD2 3.98Å; L95-F102 HydrophobicContact CB-CE2 4.4Å; L95-F102 HydrophobicContact CD2-CE2 4.45Å; L95-L112 HydrophobicContact CD1-CD2 4.48Å
96D98.7Very high98.6Very high41 Ų4157.6 Ų57.622%0.21930%0.304CS..Hα-helixtrans-71.4-21.5-174-45.8-71.2000113.7H26 R27 N94 S107H26-D96 WeakPolarHBondContact CA-OD2 3.43Å; H26-D96 WeakPolarHBondContact CB-OD2 3.48Å; R27-D96 PolarHBondContact N-OD2 2.79Å; N94-D96 PolarHBondContact O-N 2.96Å; N94-D96 PolarHBondContact OD1-N 3.26Å; N94-D96 VanDerWaalsContact OD1-N 3.14Å; D96-S107 VanDerWaalsContact OD1-CB 3.23Å; D96-S107 WeakPolarHBondContact OD1-CB 3.3Å; D96-S107 PolarHBondContact OD1-OG 2.74Å
97K98.5Very high98.6Very high171 Ų17157.6 Ų57.674%0.74330%0.304SS*.Hα-helixtrans-108.5-35.6-173.4-63.7179.1-177.9-179.10114N94 L95N94-K97 HydrophobicContact CB-CB 4.07Å; N94-K97 PolarHBondContact O-N 3.12Å; N94-K97 WeakPolarHBondContact OD1-CB 3.35Å; N94-K97 WeakPolarHBondContact OD1-CG 3.23Å; N94-K97 PolarHBondContact OD1-N 2.79Å; L95-K97 VanDerWaalsContact C-N 3.29Å; L95-K97 PolarHBondContact O-N 2.96Å
98D98.7Very high98.6Very high91 Ų9157.8 Ų57.849%0.48731%0.306SS..Hα-helixtrans-101.8-16.1-172.4-58.4-38.6000112.7K93 N94K93-D98 HydrophobicContact CB-CB 4.08Å; K93-D98 HydrophobicContact CD-CB 4.02Å; K93-D98 HydrophobicContact CG-CB 4.35Å; N94-D98 PolarHBondContact N-OD2 2.95Å; N94-D98 VanDerWaalsContact O-CB 3.3Å; N94-D98 WeakPolarHBondContact O-CB 3.48Å; N94-D98 PolarHBondContact O-N 3.33Å
99V98.7Very high98.6Very high5 Ų552.9 Ų52.93%0.0328%0.281CS..  trans-112.2107.8-177.9-173.60000109P89 L90 L95 Y101 F102 Y115P89-V99 WeakPolarHBondContact O-CG2 3.37Å; L90-V99 HydrophobicContact CD2-CG1 4.31Å; L90-V99 HydrophobicContact CD2-CG2 3.89Å; L95-V99 HydrophobicContact CD2-CG2 4.42Å; L95-V99 WeakPolarHBondContact O-CB 3.12Å; L95-V99 PolarHBondContact O-N 3.38Å; V99-Y101 PolarHBondContact O-N 3.01Å; V99-F102 HydrophobicContact CB-CD2 3.89Å; V99-F102 HydrophobicContact CB-CE2 4.47Å; V99-F102 HydrophobicContact CG1-CD2 3.86Å; V99-F102 HydrophobicContact CG1-CE2 4.1Å; V99-F102 PolarHBondContact O-N 3.03Å; V99-Y115 HydrophobicContact CG1-CE2 4.1Å
100P98.5Very high98.6Very high113 Ų11356.3 Ų56.373%0.73430%0.295SS*.G310 helixtrans-54.7-28.8-172.7-30.236.1000115.3F102 A103P100-F102 VanDerWaalsContact C-N 3.27Å; P100-F102 PolarHBondContact O-N 3.22Å; P100-A103 WeakPolarHBondContact O-CB 3.19Å; P100-A103 PolarHBondContact O-N 3.28Å
101Y98.6Very high98.6Very high72 Ų7258.4 Ų58.428%0.28231%0.306SS..G310 helixtrans-61.3-31.7177.7-179.7-92.5000113.6V99 A103 V105 Y115V99-Y101 PolarHBondContact O-N 3.01Å; Y101-A103 VanDerWaalsContact C-N 3.34Å; Y101-V105 HydrophobicContact CD1-CB 4.47Å; Y101-V105 HydrophobicContact CE1-CB 4.18Å; Y101-V105 HydrophobicContact CE1-CG1 3.98Å; Y101-V105 HydrophobicContact CE1-CG2 4.3Å; Y101-V105 WeakPolarHBondContact O-CB 3.38Å; Y101-V105 WeakPolarHBondContact O-CG2 3.48Å; Y101-Y115 AromaticContact CD1-CD2 3.57Å; Y101-Y115 HydrophobicContact CD1-CD2 3.57Å; Y101-Y115 HydrophobicContact CD1-CE2 4.49Å; Y101-Y115 HydrophobicContact CD1-CG 4.07Å; Y101-Y115 AromaticContact CD2-CD2 3.86Å; Y101-Y115 HydrophobicContact CD2-CD2 3.86Å; Y101-Y115 HydrophobicContact CE1-CD2 4.18Å; Y101-Y115 HydrophobicContact CE1-CG 4.41Å; Y101-Y115 HydrophobicContact CE2-CD2 4.42Å; Y101-Y115 AromaticContact CG-CD2 3.39Å; Y101-Y115 HydrophobicContact CG-CD2 3.39Å; Y101-Y115 HydrophobicContact CG-CE2 4.02Å; Y101-Y115 HydrophobicContact CG-CG 4.33Å
102F98.7Very high98.6Very high6 Ų656.3 Ų56.33%0.02629%0.294CS..G310 helixtrans-93.710.9-179-61.5-68.1000113.1L95 V99 P100 D104 V105 N111 L112 Y115L95-F102 HydrophobicContact CB-CD2 3.98Å; L95-F102 HydrophobicContact CB-CE2 4.4Å; L95-F102 HydrophobicContact CD2-CE2 4.45Å; V99-F102 HydrophobicContact CB-CD2 3.89Å; V99-F102 HydrophobicContact CB-CE2 4.47Å; V99-F102 HydrophobicContact CG1-CD2 3.86Å; V99-F102 HydrophobicContact CG1-CE2 4.1Å; V99-F102 PolarHBondContact O-N 3.03Å; P100-F102 VanDerWaalsContact C-N 3.27Å; P100-F102 PolarHBondContact O-N 3.22Å; F102-D104 VanDerWaalsContact C-N 3.27Å; F102-D104 PolarHBondContact O-N 3.35Å; F102-V105 WeakPolarHBondContact CA-O 3.28Å; F102-V105 HydrophobicContact CD1-CB 4.46Å; F102-N111 HydrophobicContact CE1-CB 4.3Å; F102-L112 HydrophobicContact CE2-CD1 4.12Å; F102-L112 HydrophobicContact CZ-CB 4.26Å; F102-L112 HydrophobicContact CZ-CD1 3.83Å; F102-Y115 HydrophobicContact CE2-CG 4.38Å; F102-Y115 HydrophobicContact CZ-CG 4.21Å
103A97.7Very high98.6Very high67 Ų6749.1 Ų49.155%0.55426%0.261SS*.G310 helixtrans-66.1-33.3175.300000112.1P100 Y101P100-A103 WeakPolarHBondContact O-CB 3.19Å; P100-A103 PolarHBondContact O-N 3.28Å; Y101-A103 VanDerWaalsContact C-N 3.34Å
104D96.4Very high98.6Very high120 Ų12047.5 Ų47.564%0.64226%0.256SS*.SBendtrans-124.8-4.3-179.558.9-21.7000113.5F102F102-D104 VanDerWaalsContact C-N 3.27Å; F102-D104 PolarHBondContact O-N 3.35Å
105V98.6Very high98.6Very high38 Ų3847.5 Ų47.523%0.2325%0.254CS..SBendtrans-111128.5176.8-177.50000110.2Y101 F102 S107 N111Y101-V105 HydrophobicContact CD1-CB 4.47Å; Y101-V105 HydrophobicContact CE1-CB 4.18Å; Y101-V105 HydrophobicContact CE1-CG1 3.98Å; Y101-V105 HydrophobicContact CE1-CG2 4.3Å; Y101-V105 WeakPolarHBondContact O-CB 3.38Å; Y101-V105 WeakPolarHBondContact O-CG2 3.48Å; F102-V105 WeakPolarHBondContact CA-O 3.28Å; F102-V105 HydrophobicContact CD1-CB 4.46Å; V105-S107 PolarHBondContact O-N 3.13Å; V105-N111 HydrophobicContact CG1-CB 3.89Å; V105-N111 WeakPolarHBondContact CG1-ND2 3.44Å
106V98.8Very high98.6Very high23 Ų2347.5 Ų47.514%0.13925%0.254CS..  trans-62.7128.1177.2-173.10000110.2L28 Y42 T108 N111L28-V106 HydrophobicContact CB-CG1 4.34Å; L28-V106 HydrophobicContact CD2-CG1 4.18Å; Y42-V106 HydrophobicContact CE1-CG1 4.34Å; V106-T108 HydrophobicContact CB-CG2 4.48Å; V106-T108 HydrophobicContact CG1-CG2 3.91Å; V106-T108 PolarHBondContact O-N 3.06Å; V106-N111 WeakPolarHBondContact O-CB 3.39Å; V106-N111 PolarHBondContact O-ND2 3.1Å
107S98.8Very high98.6Very high0 Ų047.2 Ų47.20%025%0.25CC..  trans-76.144.6-174.970.50000114.9H26 L28 D96 V105H26-S107 WeakPolarHBondContact CB-OG 3.38Å; H26-S107 PolarHBondContact ND1-O 3.24Å; H26-S107 PolarHBondContact ND1-OG 3.41Å; L28-S107 WeakPolarHBondContact CD2-O 3.19Å; D96-S107 VanDerWaalsContact OD1-CB 3.23Å; D96-S107 WeakPolarHBondContact OD1-CB 3.3Å; D96-S107 PolarHBondContact OD1-OG 2.74Å; V105-S107 PolarHBondContact O-N 3.13Å
108T98.9Very high98.6Very high24 Ų2442.1 Ų42.115%0.14723%0.231CC..  trans-67.3162.8172.974.80000110.6L28 V106 E110 N111 L112L28-T108 HydrophobicContact CD1-CG2 4.41Å; L28-T108 HydrophobicContact CD2-CG2 4.06Å; V106-T108 HydrophobicContact CB-CG2 4.48Å; V106-T108 HydrophobicContact CG1-CG2 3.91Å; V106-T108 PolarHBondContact O-N 3.06Å; T108-E110 WeakPolarHBondContact CB-OE2 3.41Å; T108-E110 PolarHBondContact O-N 3.16Å; T108-E110 PolarHBondContact OG1-OE2 2.78Å; T108-N111 PolarHBondContact O-N 2.81Å; T108-N111 PolarHBondContact OG1-N 2.86Å; T108-L112 WeakPolarHBondContact O-CB 3.38Å; T108-L112 PolarHBondContact O-N 3.09Å
109T98.9Very high98.6Very high8 Ų840 Ų405%0.04922%0.219CC..Hα-helixtrans-63.9-29.9178.9-58.10000111.5A113 I134 E136 V142T109-A113 WeakPolarHBondContact O-CB 3.33Å; T109-A113 PolarHBondContact O-N 3.41Å; T109-I134 HydrophobicContact CG2-CB 3.83Å; T109-I134 HydrophobicContact CG2-CG2 3.76Å; T109-E136 HydrophobicContact CG2-CB 4.23Å; T109-E136 WeakPolarHBondContact OG1-CB 3.42Å; T109-E136 VanDerWaalsContact OG1-CD 3.29Å; T109-E136 PolarHBondContact OG1-OE1 3.12Å; T109-V142 HydrophobicContact CG2-CB 3.83Å; T109-V142 HydrophobicContact CG2-CG2 3.57Å
110E98.9Very high98.6Very high103 Ų10339.7 Ų39.748%0.48122%0.218SC..Hα-helixtrans-62.8-52.5171.9-57.585.4167.800112.3T108 L112 A113 I114 V142T108-E110 WeakPolarHBondContact CB-OE2 3.41Å; T108-E110 PolarHBondContact O-N 3.16Å; T108-E110 PolarHBondContact OG1-OE2 2.78Å; E110-L112 VanDerWaalsContact C-N 3.25Å; E110-L112 PolarHBondContact O-N 3.02Å; E110-A113 WeakPolarHBondContact O-CB 3.4Å; E110-A113 PolarHBondContact O-N 2.97Å; E110-A113 VanDerWaalsContact O-N 3.1Å; E110-I114 WeakPolarHBondContact O-CG1 3.17Å; E110-I114 PolarHBondContact O-N 3.35Å; E110-V142 HydrophobicContact CG-CG1 4.15Å; E110-V142 HydrophobicContact CG-CG2 4.03Å
111N98.9Very high98.5Very high44 Ų4436.6 Ų36.624%0.23520%0.202CC..Hα-helixtrans-67.1-29.7178.7-74.1-24.5000112.3F102 V105 V106 T108 I114 Y115F102-N111 HydrophobicContact CE1-CB 4.3Å; V105-N111 HydrophobicContact CG1-CB 3.89Å; V105-N111 WeakPolarHBondContact CG1-ND2 3.44Å; V106-N111 WeakPolarHBondContact O-CB 3.39Å; V106-N111 PolarHBondContact O-ND2 3.1Å; T108-N111 PolarHBondContact O-N 2.81Å; T108-N111 PolarHBondContact OG1-N 2.86Å; N111-I114 PolarHBondContact O-N 3.45Å; N111-Y115 WeakPolarHBondContact O-CB 3.27Å; N111-Y115 PolarHBondContact O-N 2.75Å
112L98.9Very high98.5Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-66.2-40.3170.5-178.564.4000112.4F22 Y55 L90 L95 F102 T108 E110 I114 Y115 I116 I134F22-L112 HydrophobicContact CZ-CD2 4.02Å; Y55-L112 HydrophobicContact CD1-CD2 3.95Å; Y55-L112 HydrophobicContact CE1-CD2 3.79Å; Y55-L112 HydrophobicContact CG-CD2 4.48Å; L90-L112 HydrophobicContact CD1-CD1 3.98Å; L90-L112 HydrophobicContact CD2-CD1 4.44Å; L95-L112 HydrophobicContact CD1-CD2 4.48Å; F102-L112 HydrophobicContact CE2-CD1 4.12Å; F102-L112 HydrophobicContact CZ-CB 4.26Å; F102-L112 HydrophobicContact CZ-CD1 3.83Å; T108-L112 WeakPolarHBondContact O-CB 3.38Å; T108-L112 PolarHBondContact O-N 3.09Å; E110-L112 VanDerWaalsContact C-N 3.25Å; E110-L112 PolarHBondContact O-N 3.02Å; L112-I114 VanDerWaalsContact C-N 3.35Å; L112-Y115 HydrophobicContact CD1-CD1 4.49Å; L112-Y115 PolarHBondContact O-N 2.84Å; L112-I116 HydrophobicContact CD1-CD1 4.3Å; L112-I116 HydrophobicContact CD1-CG1 4.43Å; L112-I116 HydrophobicContact CG-CD1 4.29Å; L112-I116 WeakPolarHBondContact O-CG1 3.4Å; L112-I116 PolarHBondContact O-N 3.28Å; L112-I134 HydrophobicContact CB-CD1 4.19Å; L112-I134 HydrophobicContact CD2-CD1 3.96Å; L112-I134 HydrophobicContact CD2-CG2 4.39Å; L112-I134 HydrophobicContact CG-CD1 3.7Å
113A98.9Very high98.4Very high0 Ų042.6 Ų42.60%024%0.237CC..Hα-helixtrans-64.3-39.9174.700000112T109 E110 W117 I132 I134 V142T109-A113 WeakPolarHBondContact O-CB 3.33Å; T109-A113 PolarHBondContact O-N 3.41Å; E110-A113 WeakPolarHBondContact O-CB 3.4Å; E110-A113 PolarHBondContact O-N 2.97Å; E110-A113 VanDerWaalsContact O-N 3.1Å; A113-W117 VanDerWaalsContact O-CB 3.23Å; A113-W117 WeakPolarHBondContact O-CB 3.45Å; A113-W117 PolarHBondContact O-N 2.94Å; A113-I132 HydrophobicContact CB-CG2 4.32Å; A113-I134 HydrophobicContact CB-CD1 3.89Å; A113-I134 HydrophobicContact CB-CG1 4.3Å; A113-V142 HydrophobicContact CB-CG1 4.08Å
114I98.8Very high98.4Very high47 Ų4739.9 Ų39.924%0.24121%0.213CC..Hα-helixtrans-63.9-48.7173.8-65.5166.4000110.7E110 N111 L112 I116 W117 D118 Y144E110-I114 WeakPolarHBondContact O-CG1 3.17Å; E110-I114 PolarHBondContact O-N 3.35Å; N111-I114 PolarHBondContact O-N 3.45Å; L112-I114 VanDerWaalsContact C-N 3.35Å; I114-I116 VanDerWaalsContact C-N 3.34Å; I114-I116 PolarHBondContact O-N 2.8Å; I114-W117 WeakPolarHBondContact O-CB 3.38Å; I114-W117 PolarHBondContact O-N 3.41Å; I114-W117 VanDerWaalsContact O-N 3.17Å; I114-D118 PolarHBondContact O-N 3.3Å; I114-Y144 HydrophobicContact CB-CE1 4.34Å; I114-Y144 HydrophobicContact CG1-CD1 3.97Å; I114-Y144 HydrophobicContact CG1-CD2 4.45Å; I114-Y144 HydrophobicContact CG1-CE1 3.84Å; I114-Y144 HydrophobicContact CG1-CE2 4.36Å; I114-Y144 HydrophobicContact CG1-CG 4.29Å
115Y98.8Very high98.2Very high25 Ų2537.9 Ų37.910%0.09821%0.207CC..Hα-helixtrans-54.5-49.3176.4170.4-95.8000111.8L90 V99 Y101 F102 N111 L112 N119L90-Y115 HydrophobicContact CD1-CD1 4.41Å; L90-Y115 HydrophobicContact CD1-CE1 4.15Å; L90-Y115 HydrophobicContact CD2-CD1 4.31Å; L90-Y115 HydrophobicContact CD2-CE1 3.75Å; L90-Y115 HydrophobicContact CG-CE1 4.24Å; V99-Y115 HydrophobicContact CG1-CE2 4.1Å; Y101-Y115 AromaticContact CD1-CD2 3.57Å; Y101-Y115 HydrophobicContact CD1-CD2 3.57Å; Y101-Y115 HydrophobicContact CD1-CE2 4.49Å; Y101-Y115 HydrophobicContact CD1-CG 4.07Å; Y101-Y115 AromaticContact CD2-CD2 3.86Å; Y101-Y115 HydrophobicContact CD2-CD2 3.86Å; Y101-Y115 HydrophobicContact CE1-CD2 4.18Å; Y101-Y115 HydrophobicContact CE1-CG 4.41Å; Y101-Y115 HydrophobicContact CE2-CD2 4.42Å; Y101-Y115 AromaticContact CG-CD2 3.39Å; Y101-Y115 HydrophobicContact CG-CD2 3.39Å; Y101-Y115 HydrophobicContact CG-CE2 4.02Å; Y101-Y115 HydrophobicContact CG-CG 4.33Å; F102-Y115 HydrophobicContact CE2-CG 4.38Å; F102-Y115 HydrophobicContact CZ-CG 4.21Å; N111-Y115 WeakPolarHBondContact O-CB 3.27Å; N111-Y115 PolarHBondContact O-N 2.75Å; L112-Y115 HydrophobicContact CD1-CD1 4.49Å; L112-Y115 PolarHBondContact O-N 2.84Å; Y115-N119 WeakPolarHBondContact CD2-ND2 3.4Å; Y115-N119 VanDerWaalsContact CE2-ND2 3.29Å; Y115-N119 WeakPolarHBondContact CE2-ND2 3.48Å; Y115-N119 PolarHBondContact O-N 2.74Å; Y115-N119 PolarHBondContact O-ND2 3.43Å
116I98.8Very high97.8Very high0 Ų040.5 Ų40.50%023%0.232CC..Hα-helixtrans-64.8-43.8179.4-68.6178.4000110.1V57 I86 L90 L112 I114 N119 M120 I132 I134V57-I116 HydrophobicContact CG1-CD1 4.27Å; V57-I116 HydrophobicContact CG2-CD1 3.98Å; I86-I116 HydrophobicContact CD1-CD1 4.36Å; I86-I116 HydrophobicContact CD1-CG2 3.74Å; I86-I116 HydrophobicContact CG1-CD1 4.11Å; I86-I116 HydrophobicContact CG1-CG1 4.22Å; I86-I116 HydrophobicContact CG1-CG2 3.86Å; L90-I116 HydrophobicContact CD1-CD1 3.94Å; L90-I116 HydrophobicContact CD1-CG1 4.01Å; L112-I116 HydrophobicContact CD1-CD1 4.3Å; L112-I116 HydrophobicContact CD1-CG1 4.43Å; L112-I116 HydrophobicContact CG-CD1 4.29Å; L112-I116 WeakPolarHBondContact O-CG1 3.4Å; L112-I116 PolarHBondContact O-N 3.28Å; I114-I116 VanDerWaalsContact C-N 3.34Å; I114-I116 PolarHBondContact O-N 2.8Å; I116-N119 PolarHBondContact O-N 2.86Å; I116-M120 HydrophobicContact CG2-CG 3.98Å; I116-M120 VanDerWaalsContact O-CB 3.27Å; I116-M120 WeakPolarHBondContact O-CB 3.35Å; I116-M120 VanDerWaalsContact O-CG 3.23Å; I116-M120 WeakPolarHBondContact O-CG 3.36Å; I116-M120 PolarHBondContact O-N 2.92Å; I116-I132 HydrophobicContact CB-CG2 4.22Å; I116-I132 HydrophobicContact CG2-CD1 3.78Å; I116-I132 HydrophobicContact CG2-CG1 4.15Å; I116-I132 HydrophobicContact CG2-CG2 3.95Å; I116-I134 HydrophobicContact CD1-CD1 3.79Å
117W98.8Very high97.3Very high34 Ų3445 Ų4513%0.12927%0.265CS..Hα-helixtrans-57.7-53178.2175.7-84000112.1A113 I114 N119 M120 A121 L129 I132 Y144 R145 G146A113-W117 VanDerWaalsContact O-CB 3.23Å; A113-W117 WeakPolarHBondContact O-CB 3.45Å; A113-W117 PolarHBondContact O-N 2.94Å; I114-W117 WeakPolarHBondContact O-CB 3.38Å; I114-W117 PolarHBondContact O-N 3.41Å; I114-W117 VanDerWaalsContact O-N 3.17Å; W117-N119 VanDerWaalsContact C-N 3.26Å; W117-N119 PolarHBondContact O-N 3.47Å; W117-M120 PolarHBondContact O-N 3.13Å; W117-A121 VanDerWaalsContact O-CB 3.3Å; W117-A121 WeakPolarHBondContact O-CB 3.43Å; W117-A121 PolarHBondContact O-N 3.3Å; W117-L129 HydrophobicContact CD2-CD2 3.6Å; W117-L129 HydrophobicContact CD2-CG 4.34Å; W117-L129 HydrophobicContact CE3-CD2 3.6Å; W117-L129 HydrophobicContact CE3-CG 3.9Å; W117-L129 HydrophobicContact CG-CD2 4.14Å; W117-L129 HydrophobicContact CH2-CB 4.38Å; W117-L129 HydrophobicContact CH2-CD2 4.08Å; W117-L129 HydrophobicContact CH2-CG 3.85Å; W117-L129 HydrophobicContact CZ2-CD2 4.13Å; W117-L129 HydrophobicContact CZ2-CG 4.33Å; W117-L129 HydrophobicContact CZ3-CD1 4.49Å; W117-L129 HydrophobicContact CZ3-CD2 3.83Å; W117-L129 HydrophobicContact CZ3-CG 3.62Å; W117-I132 HydrophobicContact CB-CG1 4.07Å; W117-I132 HydrophobicContact CE3-CB 4.49Å; W117-I132 HydrophobicContact CE3-CG1 3.85Å; W117-Y144 HydrophobicContact CB-CD1 3.53Å; W117-Y144 HydrophobicContact CB-CE1 3.8Å; W117-Y144 AromaticContact CD1-CE1 3.66Å; W117-Y144 HydrophobicContact CD2-CD1 4.03Å; W117-Y144 HydrophobicContact CD2-CE1 4.11Å; W117-Y144 HydrophobicContact CE3-CD1 4.34Å; W117-Y144 AromaticContact CG-CD1 3.63Å; W117-Y144 HydrophobicContact CG-CD1 3.63Å; W117-Y144 AromaticContact CG-CE1 3.57Å; W117-Y144 HydrophobicContact CG-CE1 3.57Å; W117-R145 WeakPolarHBondContact CH2-O 3.48Å; W117-R145 WeakPolarHBondContact CZ2-O 3.17Å; W117-R145 VanDerWaalsContact CZ3-C 3.44Å; W117-R145 VanDerWaalsContact CZ3-CA 3.42Å; W117-R145 HydrophobicContact CZ3-CB 4.46Å; W117-G146 VanDerWaalsContact CZ2-CA 3.45Å
118D98.5Very high97.2Very high64 Ų6446.4 Ų46.434%0.34227%0.272SS..Hα-helixtrans-61.2-36.2-176.2-77.5-6.6000112.4I114 K122I114-D118 PolarHBondContact O-N 3.3Å; D118-K122 VanDerWaalsContact O-CD 3.32Å; D118-K122 WeakPolarHBondContact O-CD 3.17Å; D118-K122 WeakPolarHBondContact O-CE 3.29Å; D118-K122 VanDerWaalsContact O-CG 3.27Å; D118-K122 WeakPolarHBondContact O-CG 3.45Å
119N98.6Very high97.2Very high46 Ų4646.3 Ų46.325%0.24627%0.271CS..Hα-helixtrans-78.3-39.3177.1-72.9-70.2000112V85 Y115 I116 W117 A121 K122 A123V85-N119 HydrophobicContact CB-CB 4.39Å; V85-N119 HydrophobicContact CG1-CB 3.39Å; V85-N119 HydrophobicContact CG2-CB 4.2Å; Y115-N119 WeakPolarHBondContact CD2-ND2 3.4Å; Y115-N119 VanDerWaalsContact CE2-ND2 3.29Å; Y115-N119 WeakPolarHBondContact CE2-ND2 3.48Å; Y115-N119 PolarHBondContact O-N 2.74Å; Y115-N119 PolarHBondContact O-ND2 3.43Å; I116-N119 PolarHBondContact O-N 2.86Å; W117-N119 VanDerWaalsContact C-N 3.26Å; W117-N119 PolarHBondContact O-N 3.47Å; N119-A121 PolarHBondContact O-N 3.06Å; N119-K122 PolarHBondContact O-N 2.68Å; N119-A123 PolarHBondContact O-N 2.93Å; N119-A123 VanDerWaalsContact O-N 3.08Å
120M98.5Very high97.2Very high0 Ų049.7 Ų49.70%028%0.283CS..Hα-helixtrans-64.9-39.1175-75.4-57.5-74.800111.7V59 L78 C81 I82 V85 I116 W117 K122 A123 L124 L129 I132V59-M120 HydrophobicContact CG1-CE 3.72Å; V59-M120 HydrophobicContact CG2-CE 4.48Å; L78-M120 HydrophobicContact CD1-CE 4.16Å; C81-M120 HydrophobicContact CB-CE 3.93Å; C81-M120 HydrophobicContact CB-SD 4.3Å; I82-M120 HydrophobicContact CG1-CE 3.97Å; V85-M120 HydrophobicContact CB-CG 4.32Å; V85-M120 HydrophobicContact CB-SD 3.61Å; V85-M120 HydrophobicContact CG1-CG 3.77Å; V85-M120 HydrophobicContact CG1-SD 3.75Å; V85-M120 HydrophobicContact CG2-SD 3.8Å; I116-M120 HydrophobicContact CG2-CG 3.98Å; I116-M120 VanDerWaalsContact O-CB 3.27Å; I116-M120 WeakPolarHBondContact O-CB 3.35Å; I116-M120 VanDerWaalsContact O-CG 3.23Å; I116-M120 WeakPolarHBondContact O-CG 3.36Å; I116-M120 PolarHBondContact O-N 2.92Å; W117-M120 PolarHBondContact O-N 3.13Å; M120-K122 PolarHBondContact O-N 3.5Å; M120-A123 PolarHBondContact O-N 3.12Å; M120-A123 VanDerWaalsContact O-N 3.14Å; M120-L124 HydrophobicContact CB-CD1 4.4Å; M120-L124 HydrophobicContact CE-CD1 3.85Å; M120-L124 HydrophobicContact CE-CD2 4.47Å; M120-L124 HydrophobicContact CE-CG 4.18Å; M120-L124 VanDerWaalsContact O-CB 3.3Å; M120-L124 WeakPolarHBondContact O-CB 3.1Å; M120-L124 VanDerWaalsContact O-CG 3.31Å; M120-L124 WeakPolarHBondContact O-CG 3.33Å; M120-L124 PolarHBondContact O-N 3Å; M120-L129 HydrophobicContact CB-CD1 4.3Å; M120-L129 HydrophobicContact CB-CD2 3.78Å; M120-I132 HydrophobicContact CG-CD1 4.32Å
121A97.9Very high97.2Very high48 Ų4845.2 Ų45.240%0.39726%0.262SS..Hα-helixtrans-63.1-29.4177.400000112.5W117 N119 L129W117-A121 VanDerWaalsContact O-CB 3.3Å; W117-A121 WeakPolarHBondContact O-CB 3.43Å; W117-A121 PolarHBondContact O-N 3.3Å; N119-A121 PolarHBondContact O-N 3.06Å; A121-L129 HydrophobicContact CB-CD2 4.15Å
122K97.6Very high97.2Very high163 Ų16343.1 Ų43.171%0.70925%0.251SS*.Hα-helixtrans-78.6-34.2173.2-66.2164-166.8164.60112.6D118 N119 M120D118-K122 VanDerWaalsContact O-CD 3.32Å; D118-K122 WeakPolarHBondContact O-CD 3.17Å; D118-K122 WeakPolarHBondContact O-CE 3.29Å; D118-K122 VanDerWaalsContact O-CG 3.27Å; D118-K122 WeakPolarHBondContact O-CG 3.45Å; N119-K122 PolarHBondContact O-N 2.68Å; M120-K122 PolarHBondContact O-N 3.5Å
123A97.2Very high97.2Very high40 Ų4047 Ų4733%0.33127%0.266SS..Hα-helixtrans-82.1-25.2-177.700000113.4C81 V85 N119 M120C81-A123 HydrophobicContact CB-CB 4.37Å; V85-A123 HydrophobicContact CG2-CB 3.93Å; N119-A123 PolarHBondContact O-N 2.93Å; N119-A123 VanDerWaalsContact O-N 3.08Å; M120-A123 PolarHBondContact O-N 3.12Å; M120-A123 VanDerWaalsContact O-N 3.14Å
124L96.3Very high97.2Very high10 Ų1047 Ų475%0.05227%0.266CS..SBendtrans-96.6153.9-178.7-67.6172.8000112V61 M73 L78 C81 M120 L129V61-L124 HydrophobicContact CG1-CD1 3.9Å; M73-L124 HydrophobicContact CE-CD2 3.53Å; M73-L124 HydrophobicContact SD-CD2 3.84Å; L78-L124 HydrophobicContact CD1-CD2 4.32Å; C81-L124 HydrophobicContact CB-CD2 4.23Å; M120-L124 HydrophobicContact CB-CD1 4.4Å; M120-L124 HydrophobicContact CE-CD1 3.85Å; M120-L124 HydrophobicContact CE-CD2 4.47Å; M120-L124 HydrophobicContact CE-CG 4.18Å; M120-L124 VanDerWaalsContact O-CB 3.3Å; M120-L124 WeakPolarHBondContact O-CB 3.1Å; M120-L124 VanDerWaalsContact O-CG 3.31Å; M120-L124 WeakPolarHBondContact O-CG 3.33Å; M120-L124 PolarHBondContact O-N 3Å; L124-L129 HydrophobicContact CD1-CB 3.98Å; L124-L129 HydrophobicContact CD1-CD1 3.91Å; L124-L129 HydrophobicContact CD1-CG 4.43Å
125P93.4Very high97.2Very high79 Ų7945.9 Ų45.951%0.51326%0.259SS..PPolyproline II helixtrans-53.7143.3165.1-23.531.7000111.9S127 L128P125-S127 PolarHBondContact O-N 3.27Å; P125-L128 HydrophobicContact CB-CD1 3.78Å; P125-L128 HydrophobicContact CB-CG 4.25Å; P125-L128 HydrophobicContact CG-CD1 3.77Å; P125-L128 PolarHBondContact O-N 3.3Å
126A89.6Confident97.2Very high92 Ų9245.8 Ų45.876%0.7626%0.26SS*.THydrogen-bonded Turntrans-53141-178.500000112L128A126-L128 PolarHBondContact O-N 2.96Å
127S88.9Confident97.1Very high118 Ų11848.2 Ų48.283%0.82528%0.275SS*.THydrogen-bonded Turntrans668.4176.4-47.90000116.3P125P125-S127 PolarHBondContact O-N 3.27Å
128L96Very high97.1Very high30 Ų3054.1 Ų54.116%0.15731%0.308CS..  trans-85-37.8172.3-76.4-175.1000113.4V61 R62 M73 P125 A126 Y130V61-L128 CarbonylContact C-O 3.44Å; V61-L128 WeakPolarHBondContact CA-O 3.41Å; V61-L128 WeakPolarHBondContact CB-O 3.26Å; R62-L128 PolarHBondContact N-O 2.8Å; R62-L128 WeakPolarHBondContact O-CD2 3.29Å; M73-L128 HydrophobicContact SD-CD1 4.45Å; P125-L128 HydrophobicContact CB-CD1 3.78Å; P125-L128 HydrophobicContact CB-CG 4.25Å; P125-L128 HydrophobicContact CG-CD1 3.77Å; P125-L128 PolarHBondContact O-N 3.3Å; A126-L128 PolarHBondContact O-N 2.96Å; L128-Y130 PolarHBondContact O-N 3.12Å
129L98.6Very high97.1Very high22 Ų2260.1 Ų60.112%0.11533%0.331CS..EExtended strand (participates in β ladder)trans-65.5131.8-179.4-173.662.2000110V59 W117 M120 A121 L124 I132V59-L129 HydrophobicContact CG1-CD1 3.94Å; W117-L129 HydrophobicContact CD2-CD2 3.6Å; W117-L129 HydrophobicContact CD2-CG 4.34Å; W117-L129 HydrophobicContact CE3-CD2 3.6Å; W117-L129 HydrophobicContact CE3-CG 3.9Å; W117-L129 HydrophobicContact CG-CD2 4.14Å; W117-L129 HydrophobicContact CH2-CB 4.38Å; W117-L129 HydrophobicContact CH2-CD2 4.08Å; W117-L129 HydrophobicContact CH2-CG 3.85Å; W117-L129 HydrophobicContact CZ2-CD2 4.13Å; W117-L129 HydrophobicContact CZ2-CG 4.33Å; W117-L129 HydrophobicContact CZ3-CD1 4.49Å; W117-L129 HydrophobicContact CZ3-CD2 3.83Å; W117-L129 HydrophobicContact CZ3-CG 3.62Å; M120-L129 HydrophobicContact CB-CD1 4.3Å; M120-L129 HydrophobicContact CB-CD2 3.78Å; A121-L129 HydrophobicContact CB-CD2 4.15Å; L124-L129 HydrophobicContact CD1-CB 3.98Å; L124-L129 HydrophobicContact CD1-CD1 3.91Å; L124-L129 HydrophobicContact CD1-CG 4.43Å; L129-I132 HydrophobicContact CD1-CD1 3.98Å; L129-I132 HydrophobicContact CD1-CG1 4.48Å
130Y98.7Very high97.1Very high78 Ų7861.7 Ų61.731%0.30634%0.34SS..EExtended strand (participates in β ladder)trans-123.5-43.5-174.4177.1-101000113.4Y15 T60 R62 L128 R145Y15-Y130 AromaticContact CD1-CD1 3.99Å; Y15-Y130 HydrophobicContact CD1-CD1 3.99Å; Y15-Y130 HydrophobicContact CD1-CE1 4.18Å; Y15-Y130 HydrophobicContact CD1-CG 4.3Å; Y15-Y130 AromaticContact CE1-CD1 3.99Å; Y15-Y130 HydrophobicContact CE1-CD1 3.99Å; Y15-Y130 HydrophobicContact CE1-CD2 4.14Å; Y15-Y130 AromaticContact CE1-CE1 3.88Å; Y15-Y130 HydrophobicContact CE1-CE1 3.88Å; Y15-Y130 HydrophobicContact CE1-CE2 4.01Å; Y15-Y130 HydrophobicContact CE1-CG 4.12Å; Y15-Y130 AromaticContact CE1-CZ 3.89Å; T60-Y130 HydrophobicContact CG2-CD1 3.89Å; T60-Y130 WeakPolarHBondContact O-CB 3.25Å; T60-Y130 PolarHBondContact O-N 2.95Å; R62-Y130 HydrophobicContact CB-CD2 4.08Å; R62-Y130 HydrophobicContact CB-CG 3.96Å; R62-Y130 HydrophobicContact CG-CD2 4.49Å; L128-Y130 PolarHBondContact O-N 3.12Å; Y130-R145 WeakPolarHBondContact O-CB 3.4Å; Y130-R145 WeakPolarHBondContact O-CG 3.3Å
131E98.8Very high97.1Very high10 Ų1065.8 Ų65.85%0.04736%0.361CS..EExtended strand (participates in β ladder)trans-151.8133.2-177.6-175.8172.8118.100110.4T60 R133 V143 R145T60-E131 PolarHBondContact N-O 2.87Å; T60-E131 PolarHBondContact O-N 2.7Å; E131-R133 IonicContact OE1-CZ 2.84Å; E131-R133 IonicContact OE1-NE 3.2Å; E131-R133 PolarHBondContact OE1-NE 3.13Å; E131-R133 VanDerWaalsContact OE1-NE 3.15Å; E131-R133 IonicContact OE1-NH2 3.53Å; E131-R133 PolarHBondContact OE1-NH2 2.93Å; E131-V143 VanDerWaalsContact CD-CG1 3.44Å; E131-V143 HydrophobicContact CG-CG1 3.52Å; E131-R145 HydrophobicContact CB-CG 4.22Å; E131-R145 HydrophobicContact CG-CG 4.17Å; E131-R145 IonicContact OE2-CZ 3.41Å; E131-R145 IonicContact OE2-NE 2.82Å; E131-R145 PolarHBondContact OE2-NE 3.49Å; E131-R145 IonicContact OE2-NH2 3.15Å; E131-R145 PolarHBondContact OE2-NH2 3.23Å
132I98.9Very high97.1Very high0 Ų064.7 Ų64.70%035%0.349CS..EExtended strand (participates in β ladder)trans-105.4122.3160.2-62.1-60000107.3V57 V59 A113 I116 W117 M120 L129 I134 V143 Y144V57-I132 HydrophobicContact CG1-CG2 4.34Å; V59-I132 HydrophobicContact CB-CD1 4.19Å; V59-I132 HydrophobicContact CG1-CD1 3.89Å; V59-I132 HydrophobicContact CG2-CD1 3.81Å; A113-I132 HydrophobicContact CB-CG2 4.32Å; I116-I132 HydrophobicContact CB-CG2 4.22Å; I116-I132 HydrophobicContact CG2-CD1 3.78Å; I116-I132 HydrophobicContact CG2-CG1 4.15Å; I116-I132 HydrophobicContact CG2-CG2 3.95Å; W117-I132 HydrophobicContact CB-CG1 4.07Å; W117-I132 HydrophobicContact CE3-CB 4.49Å; W117-I132 HydrophobicContact CE3-CG1 3.85Å; M120-I132 HydrophobicContact CG-CD1 4.32Å; L129-I132 HydrophobicContact CD1-CD1 3.98Å; L129-I132 HydrophobicContact CD1-CG1 4.48Å; I132-I134 HydrophobicContact CG2-CD1 4.33Å; I132-I134 HydrophobicContact CG2-CG1 4.01Å; I132-V143 CarbonylContact O-C 3.57Å; I132-V143 WeakPolarHBondContact O-CA 3.38Å; I132-Y144 PolarHBondContact N-O 2.82Å; I132-Y144 PolarHBondContact O-N 3.47Å
133R98.9Very high97.2Very high82 Ų8259.9 Ų59.931%0.30933%0.334SS..EExtended strand (participates in β ladder)trans-118.2129.7172.9177.3-177.2-58.4-166.20.6109.5V57 E58 E131 I141 V142 V143V57-R133 CarbonylContact C-O 3.59Å; V57-R133 WeakPolarHBondContact CA-O 3.44Å; E58-R133 HydrophobicContact CB-CB 4.17Å; E58-R133 PolarHBondContact N-O 2.94Å; E58-R133 PolarHBondContact O-N 2.99Å; E131-R133 IonicContact OE1-CZ 2.84Å; E131-R133 IonicContact OE1-NE 3.2Å; E131-R133 PolarHBondContact OE1-NE 3.13Å; E131-R133 VanDerWaalsContact OE1-NE 3.15Å; E131-R133 IonicContact OE1-NH2 3.53Å; E131-R133 PolarHBondContact OE1-NH2 2.93Å; R133-I141 HydrophobicContact CG-CG2 3.76Å; R133-V142 CarbonylContact C-O 3.51Å; R133-V142 VanDerWaalsContact CA-O 3.29Å; R133-V142 WeakPolarHBondContact CA-O 3.46Å; R133-V143 HydrophobicContact CB-CG2 4.19Å; R133-V143 HydrophobicContact CG-CG2 3.95Å
134I98.9Very high97.3Very high0 Ų060.4 Ų60.40%033%0.327CS..EExtended strand (participates in β ladder)trans-122.8127.3178.7-51.7-173.7000109.1Y55 K56 V57 T109 L112 A113 I116 I132 I141 V142Y55-I134 HydrophobicContact CD1-CG2 3.83Å; K56-I134 WeakPolarHBondContact O-CA 3.33Å; V57-I134 HydrophobicContact CG1-CG1 4.38Å; V57-I134 HydrophobicContact CG2-CD1 4.48Å; V57-I134 HydrophobicContact CG2-CG1 4.17Å; V57-I134 HydrophobicContact CG2-CG2 4.35Å; T109-I134 HydrophobicContact CG2-CB 3.83Å; T109-I134 HydrophobicContact CG2-CG2 3.76Å; L112-I134 HydrophobicContact CB-CD1 4.19Å; L112-I134 HydrophobicContact CD2-CD1 3.96Å; L112-I134 HydrophobicContact CD2-CG2 4.39Å; L112-I134 HydrophobicContact CG-CD1 3.7Å; A113-I134 HydrophobicContact CB-CD1 3.89Å; A113-I134 HydrophobicContact CB-CG1 4.3Å; I116-I134 HydrophobicContact CD1-CD1 3.79Å; I132-I134 HydrophobicContact CG2-CD1 4.33Å; I132-I134 HydrophobicContact CG2-CG1 4.01Å; I134-I141 CarbonylContact O-C 3.59Å; I134-I141 VanDerWaalsContact O-CA 3.29Å; I134-I141 WeakPolarHBondContact O-CA 3.44Å; I134-V142 PolarHBondContact N-O 3.33Å; I134-V142 PolarHBondContact O-N 3.04Å
135H98.9Very high97.4Very high23 Ų2365 Ų6511%0.10634%0.344CS..EExtended strand (participates in β ladder)trans-97.5109.3164-59.5-117.3000107.2Y55 K56 E58 N140 I141Y55-H135 WeakPolarHBondContact CA-O 3.36Å; K56-H135 HydrophobicContact CB-CB 4.15Å; K56-H135 WeakPolarHBondContact CE-CD2 3.43Å; K56-H135 WeakPolarHBondContact CE-NE2 3.47Å; K56-H135 PolarHBondContact N-O 3.24Å; K56-H135 PolarHBondContact NZ-CD2 2.99Å; K56-H135 PolarHBondContact NZ-CE1 3.09Å; K56-H135 VanDerWaalsContact NZ-CE1 3.35Å; K56-H135 PolarHBondContact NZ-NE2 3.27Å; K56-H135 PolarHBondContact O-N 3.15Å; E58-H135 IonicContact OE1-NE2 3.9Å; H135-N140 WeakPolarHBondContact CA-O 3.18Å; H135-I141 WeakPolarHBondContact CE1-CD1 3.11Å; H135-I141 WeakPolarHBondContact ND1-CG1 3.26Å
136E98.8Very high97.5Very high23 Ų2362.9 Ų62.911%0.10734%0.336CS..SBendtrans-71.3-41.1168.7179.6-173-119.800109.8H26 H53 Y55 T109 N140H26-E136 IonicContact CE1-OE1 3.65Å; H53-E136 HydrophobicContact CB-CG 4.35Å; H53-E136 WeakPolarHBondContact CB-O 3.19Å; H53-E136 IonicContact NE2-OE1 3.57Å; Y55-E136 HydrophobicContact CD1-CB 4.19Å; Y55-E136 HydrophobicContact CD1-CG 4.39Å; Y55-E136 HydrophobicContact CE1-CB 3.91Å; Y55-E136 HydrophobicContact CE1-CG 3.73Å; T109-E136 HydrophobicContact CG2-CB 4.23Å; T109-E136 WeakPolarHBondContact OG1-CB 3.42Å; T109-E136 VanDerWaalsContact OG1-CD 3.29Å; T109-E136 PolarHBondContact OG1-OE1 3.12Å; E136-N140 HydrophobicContact CB-CB 4.29Å; E136-N140 PolarHBondContact N-O 3.25Å; E136-N140 VanDerWaalsContact N-O 3.09Å; E136-N140 PolarHBondContact OE2-ND2 3.13Å; E136-N140 VanDerWaalsContact OE2-ND2 3.1Å
137T98.5Very high97.6Very high51 Ų5167.1 Ų67.131%0.31334%0.34SS..SBendtrans-138.2177.5169.670.20000109K139 N140T137-K139 PolarHBondContact O-N 3.37Å; T137-K139 PolarHBondContact OG1-N 3.19Å; T137-N140 PolarHBondContact O-N 3.4Å; T137-N140 PolarHBondContact OG1-N 3.27Å
138D97.6Very high98.1Very high157 Ų15764.6 Ų64.684%0.8432%0.316SS*.SBendtrans-59.9-16.8174.6-64.9-28.7000113.8
139K98.3Very high98.2Very high190 Ų19066.4 Ų66.483%0.82633%0.325SS*.SBendtrans-113.6-15.7-174.1-61.6-179.5-177.8177.60114.1T137T137-K139 PolarHBondContact O-N 3.37Å; T137-K139 PolarHBondContact OG1-N 3.19Å
140N98.6Very high98.1Very high80 Ų8068.9 Ų68.943%0.42834%0.336SS..  trans-114.3114.1-177.4-61.4-10.7000108.7H135 E136 T137H135-N140 WeakPolarHBondContact CA-O 3.18Å; E136-N140 HydrophobicContact CB-CB 4.29Å; E136-N140 PolarHBondContact N-O 3.25Å; E136-N140 VanDerWaalsContact N-O 3.09Å; E136-N140 PolarHBondContact OE2-ND2 3.13Å; E136-N140 VanDerWaalsContact OE2-ND2 3.1Å; T137-N140 PolarHBondContact O-N 3.4Å; T137-N140 PolarHBondContact OG1-N 3.27Å
141I98.9Very high98.1Very high85 Ų8568.4 Ų68.444%0.43634%0.338SS..EExtended strand (participates in β ladder)trans-133.2130.8-173.7-51173.1000108.7R133 I134 H135R133-I141 HydrophobicContact CG-CG2 3.76Å; I134-I141 CarbonylContact O-C 3.59Å; I134-I141 VanDerWaalsContact O-CA 3.29Å; I134-I141 WeakPolarHBondContact O-CA 3.44Å; H135-I141 WeakPolarHBondContact CE1-CD1 3.11Å; H135-I141 WeakPolarHBondContact ND1-CG1 3.26Å
142V98.9Very high98.1Very high26 Ų2672 Ų7216%0.15836%0.356CS..EExtended strand (participates in β ladder)trans-115.8144.7170.6177.10000109.6T109 E110 A113 R133 I134T109-V142 HydrophobicContact CG2-CB 3.83Å; T109-V142 HydrophobicContact CG2-CG2 3.57Å; E110-V142 HydrophobicContact CG-CG1 4.15Å; E110-V142 HydrophobicContact CG-CG2 4.03Å; A113-V142 HydrophobicContact CB-CG1 4.08Å; R133-V142 CarbonylContact C-O 3.51Å; R133-V142 VanDerWaalsContact CA-O 3.29Å; R133-V142 WeakPolarHBondContact CA-O 3.46Å; I134-V142 PolarHBondContact N-O 3.33Å; I134-V142 PolarHBondContact O-N 3.04Å
143V98.9Very high98Very high62 Ų6276.8 Ų76.838%0.37638%0.38SS..EExtended strand (participates in β ladder)trans-125.8132.8172.4177.10000108.3E131 I132 R133 R145E131-V143 VanDerWaalsContact CD-CG1 3.44Å; E131-V143 HydrophobicContact CG-CG1 3.52Å; I132-V143 CarbonylContact O-C 3.57Å; I132-V143 WeakPolarHBondContact O-CA 3.38Å; R133-V143 HydrophobicContact CB-CG2 4.19Å; R133-V143 HydrophobicContact CG-CG2 3.95Å; V143-R145 HydrophobicContact CG1-CG 4.26Å
144Y98.9Very high97.9Very high50 Ų5076.4 Ų76.420%0.19639%0.385CS..EExtended strand (participates in β ladder)trans-132134.7173-172.9-124.5000110.4I114 W117 I132 E147I114-Y144 HydrophobicContact CB-CE1 4.34Å; I114-Y144 HydrophobicContact CG1-CD1 3.97Å; I114-Y144 HydrophobicContact CG1-CD2 4.45Å; I114-Y144 HydrophobicContact CG1-CE1 3.84Å; I114-Y144 HydrophobicContact CG1-CE2 4.36Å; I114-Y144 HydrophobicContact CG1-CG 4.29Å; W117-Y144 HydrophobicContact CB-CD1 3.53Å; W117-Y144 HydrophobicContact CB-CE1 3.8Å; W117-Y144 AromaticContact CD1-CE1 3.66Å; W117-Y144 HydrophobicContact CD2-CD1 4.03Å; W117-Y144 HydrophobicContact CD2-CE1 4.11Å; W117-Y144 HydrophobicContact CE3-CD1 4.34Å; W117-Y144 AromaticContact CG-CD1 3.63Å; W117-Y144 HydrophobicContact CG-CD1 3.63Å; W117-Y144 AromaticContact CG-CE1 3.57Å; W117-Y144 HydrophobicContact CG-CE1 3.57Å; I132-Y144 PolarHBondContact N-O 2.82Å; I132-Y144 PolarHBondContact O-N 3.47Å; Y144-E147 PolarHBondContact OH-O 2.81Å
145R98.4Very high97.9Very high108 Ų10882.3 Ų82.341%0.40842%0.415SS..  trans-125.820-178.3-53.3-175.6178.6132.5-1113.5W117 Y130 E131 V143 E147W117-R145 WeakPolarHBondContact CH2-O 3.48Å; W117-R145 WeakPolarHBondContact CZ2-O 3.17Å; W117-R145 VanDerWaalsContact CZ3-C 3.44Å; W117-R145 VanDerWaalsContact CZ3-CA 3.42Å; W117-R145 HydrophobicContact CZ3-CB 4.46Å; Y130-R145 WeakPolarHBondContact O-CB 3.4Å; Y130-R145 WeakPolarHBondContact O-CG 3.3Å; E131-R145 HydrophobicContact CB-CG 4.22Å; E131-R145 HydrophobicContact CG-CG 4.17Å; E131-R145 IonicContact OE2-CZ 3.41Å; E131-R145 IonicContact OE2-NE 2.82Å; E131-R145 PolarHBondContact OE2-NE 3.49Å; E131-R145 IonicContact OE2-NH2 3.15Å; E131-R145 PolarHBondContact OE2-NH2 3.23Å; V143-R145 HydrophobicContact CG1-CG 4.26Å; R145-E147 WeakPolarHBondContact CA-OE2 3.37Å; R145-E147 WeakPolarHBondContact CB-OE2 3.45Å; R145-E147 PolarHBondContact N-OE2 3.3Å; R145-E147 VanDerWaalsContact N-OE2 3.12Å
146G96.2Very high97.8Very high34 Ų3487.3 Ų87.335%0.35144%0.44SS..  trans76.322.2177.200000114.6W117W117-G146 VanDerWaalsContact CZ2-CA 3.45Å
147E91.6Very high97.7Very high181 Ų18193.1 Ų93.185%0.84647%0.471SS*.  trans-700169.5-56.3102.1152.900113.2Y144 R145Y144-E147 PolarHBondContact OH-O 2.81Å; R145-E147 WeakPolarHBondContact CA-OE2 3.37Å; R145-E147 WeakPolarHBondContact CB-OE2 3.45Å; R145-E147 PolarHBondContact N-OE2 3.3Å; R145-E147 VanDerWaalsContact N-OE2 3.12Å

Retrieved 147 of 147 residues in 154.4 ms (Link to these results)

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