X5J4T7_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4T7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 97 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
1T94.9Very high91.9Very high110 Ų11060.3 Ų60.368%0.67541%0.414SS*.  0146.70-54.80000109.6Q57 V58 F59T1-Q57 HydrophobicContact CG2-CB 4.29Å; T1-Q57 HydrophobicContact CG2-CG 4.18Å; T1-V58 CarbonylContact C-O 3.6Å; T1-V58 WeakPolarHBondContact CA-O 3.09Å; T1-F59 HydrophobicContact CG2-CD1 3.7Å; T1-F59 HydrophobicContact CG2-CE1 3.46Å; T1-F59 VanDerWaalsContact CG2-CE1 3.46Å; T1-F59 HydrophobicContact CG2-CZ 4.28Å; T1-F59 WeakPolarHBondContact OG1-CD1 3.36Å
2C95Very high91.7Very high12 Ų1261.8 Ų61.88%0.08141%0.405CS..EExtended strand (participates in β ladder)trans-126.1120.8171.5174.40000108.5W16 Q57 V58 C75C2-W16 HydrophobicContact CB-CH2 3.64Å; C2-W16 HydrophobicContact CB-CZ2 3.75Å; C2-Q57 CarbonylContact O-C 3.56Å; C2-Q57 WeakPolarHBondContact O-CA 3.45Å; C2-V58 PolarHBondContact N-O 2.88Å; C2-V58 PolarHBondContact O-N 3.21Å; C2-C75 HydrophobicContact CB-CB 3.44Å; C2-C75 VanDerWaalsContact CB-CB 3.44Å; C2-C75 WeakPolarHBondContact CB-SG 3.32Å; C2-C75 WeakPolarHBondContact SG-CB 3.32Å; C2-C75 CovalentContact SG-SG 2.03Å; C2-C75 PolarHBondContact SG-SG 3.21Å
3T95.6Very high91.7Very high94 Ų9457.1 Ų57.158%0.57737%0.374SS*.EExtended strand (participates in β ladder)trans-94.5126.7172.1-55.90000108.3S56 Q57T3-S56 WeakPolarHBondContact CA-O 3.38Å; T3-Q57 HydrophobicContact CG2-CG 4.32Å; T3-Q57 PolarHBondContact OG1-NE2 3.04Å
4V92Very high91.9Very high15 Ų1553.1 Ų53.19%0.09135%0.349CS..  trans-100.4145.6-178.4-55.40000110.6F7 L9 V14 S56V4-F7 HydrophobicContact CB-CD1 4.42Å; V4-F7 HydrophobicContact CB-CE1 3.66Å; V4-F7 HydrophobicContact CB-CE2 4.06Å; V4-F7 HydrophobicContact CB-CZ 3.47Å; V4-F7 VanDerWaalsContact CB-CZ 3.47Å; V4-F7 HydrophobicContact CG1-CE1 4.04Å; V4-F7 HydrophobicContact CG1-CE2 4.14Å; V4-F7 HydrophobicContact CG1-CZ 3.45Å; V4-F7 VanDerWaalsContact CG1-CZ 3.45Å; V4-F7 HydrophobicContact CG2-CE1 4.37Å; V4-F7 HydrophobicContact CG2-CE2 4.04Å; V4-F7 HydrophobicContact CG2-CZ 3.98Å; V4-L9 HydrophobicContact CB-CD2 4.46Å; V4-L9 HydrophobicContact CG1-CD2 4.06Å; V4-L9 HydrophobicContact CG2-CD1 4.24Å; V4-L9 HydrophobicContact CG2-CD2 3.6Å; V4-L9 HydrophobicContact CG2-CG 3.7Å; V4-V14 HydrophobicContact CG1-CG2 4.21Å; V4-S56 WeakPolarHBondContact CG2-O 2.99Å; V4-S56 PolarHBondContact N-O 3.26Å
5S90.6Very high92Very high107 Ų10752 Ų5275%0.74834%0.336SS*.  trans-137.9153174.760.70000109.5F7S5-F7 VanDerWaalsContact C-N 3.29Å; S5-F7 WeakPolarHBondContact O-CD1 3.31Å; S5-F7 PolarHBondContact O-N 3.31Å
6G87.8Confident92.2Very high85 Ų8549.6 Ų49.688%0.87632%0.318SS*.SBendtrans77.74.2-178.900000115.6
7F87.8Confident92.3Very high39 Ų3947.2 Ų47.217%0.17130%0.303CS..SBendtrans-157162.8169.967.6-85.1000112.1V4 S5 L9 Y12 V14 R77V4-F7 HydrophobicContact CB-CD1 4.42Å; V4-F7 HydrophobicContact CB-CE1 3.66Å; V4-F7 HydrophobicContact CB-CE2 4.06Å; V4-F7 HydrophobicContact CB-CZ 3.47Å; V4-F7 VanDerWaalsContact CB-CZ 3.47Å; V4-F7 HydrophobicContact CG1-CE1 4.04Å; V4-F7 HydrophobicContact CG1-CE2 4.14Å; V4-F7 HydrophobicContact CG1-CZ 3.45Å; V4-F7 VanDerWaalsContact CG1-CZ 3.45Å; V4-F7 HydrophobicContact CG2-CE1 4.37Å; V4-F7 HydrophobicContact CG2-CE2 4.04Å; V4-F7 HydrophobicContact CG2-CZ 3.98Å; S5-F7 VanDerWaalsContact C-N 3.29Å; S5-F7 WeakPolarHBondContact O-CD1 3.31Å; S5-F7 PolarHBondContact O-N 3.31Å; F7-L9 HydrophobicContact CE2-CD2 4.01Å; F7-Y12 HydrophobicContact CB-CD2 3.83Å; F7-Y12 HydrophobicContact CB-CE2 4.09Å; F7-Y12 AromaticContact CD2-CD2 3.9Å; F7-Y12 HydrophobicContact CD2-CD2 3.9Å; F7-Y12 HydrophobicContact CD2-CG 4.02Å; F7-Y12 HydrophobicContact CG-CD2 4.25Å; F7-V14 HydrophobicContact CE2-CG2 4.05Å; F7-V14 HydrophobicContact CZ-CG2 4.09Å; F7-R77 HydrophobicContact CD1-CG 4.14Å; F7-R77 HydrophobicContact CD2-CG 4.11Å; F7-R77 HydrophobicContact CE1-CB 3.97Å; F7-R77 HydrophobicContact CE1-CG 3.77Å; F7-R77 HydrophobicContact CE2-CG 3.75Å; F7-R77 HydrophobicContact CG-CG 4.27Å; F7-R77 HydrophobicContact CZ-CB 3.85Å; F7-R77 HydrophobicContact CZ-CG 3.54Å
8S90.8Very high92.4Very high50 Ų5045.9 Ų45.935%0.3529%0.291SS..  trans-95.7136.3175-178.40000112.3T10 S11 Y12S8-T10 PolarHBondContact O-N 3.48Å; S8-T10 PolarHBondContact OG-N 2.73Å; S8-T10 PolarHBondContact OG-OG1 2.75Å; S8-S11 PolarHBondContact O-N 3Å; S8-Y12 PolarHBondContact O-N 2.87Å
9L92.8Very high92.5Very high2 Ų247.4 Ų47.41%0.0129%0.294CS..THydrogen-bonded Turntrans-67.1-10.5172.5-65.7-179.3000113.8V4 F7 S11 V14 K51 N53 V58V4-L9 HydrophobicContact CB-CD2 4.46Å; V4-L9 HydrophobicContact CG1-CD2 4.06Å; V4-L9 HydrophobicContact CG2-CD1 4.24Å; V4-L9 HydrophobicContact CG2-CD2 3.6Å; V4-L9 HydrophobicContact CG2-CG 3.7Å; F7-L9 HydrophobicContact CE2-CD2 4.01Å; L9-S11 VanDerWaalsContact C-N 3.34Å; L9-V14 HydrophobicContact CD2-CG2 3.6Å; L9-K51 HydrophobicContact CB-CD 4.39Å; L9-K51 HydrophobicContact CD1-CB 4.33Å; L9-K51 PolarHBondContact O-NZ 3.08Å; L9-N53 VanDerWaalsContact CB-OD1 3.32Å; L9-N53 WeakPolarHBondContact CB-OD1 3.3Å; L9-V58 HydrophobicContact CD1-CG2 3.84Å; L9-V58 HydrophobicContact CD2-CG2 3.62Å; L9-V58 HydrophobicContact CG-CG2 4.41Å
10T92.8Very high92.6Very high81 Ų8145.6 Ų45.650%0.49728%0.283SS..THydrogen-bonded Turntrans-83.2-12.4171.6590000113S8 N53S8-T10 PolarHBondContact O-N 3.48Å; S8-T10 PolarHBondContact OG-N 2.73Å; S8-T10 PolarHBondContact OG-OG1 2.75Å; T10-N53 HydrophobicContact CG2-CB 4.39Å; T10-N53 WeakPolarHBondContact CG2-ND2 3.33Å
11S90.5Very high92.7Very high68 Ų6848.1 Ų48.148%0.47630%0.3SS..THydrogen-bonded Turntrans-115.6-21.1-177.1-52.50000113.1S8 L9S8-S11 PolarHBondContact O-N 3Å; L9-S11 VanDerWaalsContact C-N 3.34Å
12Y89.6Confident92.7Very high78 Ų7847.3 Ų47.331%0.30631%0.314SS..  trans-130.2146.8-177.3-64.7-91.9000111.8F7 S8 R77F7-Y12 HydrophobicContact CB-CD2 3.83Å; F7-Y12 HydrophobicContact CB-CE2 4.09Å; F7-Y12 AromaticContact CD2-CD2 3.9Å; F7-Y12 HydrophobicContact CD2-CD2 3.9Å; F7-Y12 HydrophobicContact CD2-CG 4.02Å; F7-Y12 HydrophobicContact CG-CD2 4.25Å; S8-Y12 PolarHBondContact O-N 2.87Å; Y12-R77 HydrophobicContact CD1-CG 4.25Å; Y12-R77 HydrophobicContact CG-CG 4.32Å
13G91.8Very high92.6Very high1 Ų152.9 Ų52.91%0.0134%0.337CS..  trans-78163.516500000112.6I31 D78G13-I31 CarbonylContact C-O 3.54Å; G13-I31 WeakPolarHBondContact CA-O 3.48Å; G13-D78 VanDerWaalsContact O-CB 3.23Å; G13-D78 WeakPolarHBondContact O-CB 3.32Å; G13-D78 PolarHBondContact O-N 2.8Å
14V94.3Very high92.4Very high2 Ų250.6 Ų50.61%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-133123.4173.1179.30000109.2V4 F7 L9 V30 I31 V58 C75 A76V4-V14 HydrophobicContact CG1-CG2 4.21Å; F7-V14 HydrophobicContact CE2-CG2 4.05Å; F7-V14 HydrophobicContact CZ-CG2 4.09Å; L9-V14 HydrophobicContact CD2-CG2 3.6Å; V14-V30 WeakPolarHBondContact O-CA 3.44Å; V14-V30 WeakPolarHBondContact O-CG2 3.33Å; V14-I31 PolarHBondContact N-O 2.99Å; V14-I31 PolarHBondContact O-N 3.26Å; V14-V58 HydrophobicContact CB-CG1 4.37Å; V14-V58 HydrophobicContact CB-CG2 3.94Å; V14-V58 HydrophobicContact CG1-CB 4.35Å; V14-V58 HydrophobicContact CG1-CG1 4.32Å; V14-V58 HydrophobicContact CG1-CG2 4.2Å; V14-V58 HydrophobicContact CG2-CG2 3.87Å; V14-C75 HydrophobicContact CG1-CB 3.99Å; V14-A76 CarbonylContact C-O 3.39Å; V14-A76 WeakPolarHBondContact CA-O 3.47Å
15H94.1Very high92.4Very high36 Ų3653.8 Ų53.817%0.16735%0.353CS..EExtended strand (participates in β ladder)trans-89.1149.2177.2-60.9-104.1000110.4W27 G29 C75 A76 D78H15-W27 AromaticContact CG-NE1 3.89Å; H15-W27 AromaticContact ND1-CD1 3.86Å; H15-W27 AromaticContact ND1-NE1 3.14Å; H15-W27 PolarHBondContact ND1-NE1 2.94Å; H15-W27 VanDerWaalsContact ND1-NE1 3.14Å; H15-G29 CarbonylContact C-O 3.56Å; H15-G29 WeakPolarHBondContact CA-O 3.43Å; H15-C75 CarbonylContact O-C 3.59Å; H15-C75 VanDerWaalsContact O-CA 3.23Å; H15-C75 WeakPolarHBondContact O-CA 3.36Å; H15-A76 HydrophobicContact CB-CB 4.44Å; H15-A76 PolarHBondContact N-O 3.01Å; H15-A76 PolarHBondContact O-N 3.32Å; H15-D78 WeakPolarHBondContact NE2-CB 3.3Å; H15-D78 IonicContact NE2-OD1 2.94Å; H15-D78 PolarHBondContact NE2-OD1 3.22Å; H15-D78 VanDerWaalsContact NE2-OD1 3.16Å
16W94.4Very high92.5Very high13 Ų1351.8 Ų51.85%0.04933%0.331CS..EExtended strand (participates in β ladder)trans-110.2135.4164.9-74.398.4000109.6C2 L28 G29 V58 L60 Y74 C75C2-W16 HydrophobicContact CB-CH2 3.64Å; C2-W16 HydrophobicContact CB-CZ2 3.75Å; W16-L28 HydrophobicContact CB-CB 4.05Å; W16-L28 HydrophobicContact CB-CD1 4.36Å; W16-L28 WeakPolarHBondContact O-CB 3.43Å; W16-L28 PolarHBondContact O-N 2.6Å; W16-G29 PolarHBondContact N-O 2.8Å; W16-G29 PolarHBondContact O-N 3.43Å; W16-V58 HydrophobicContact CZ2-CG1 4.4Å; W16-L60 HydrophobicContact CB-CD1 4.44Å; W16-L60 HydrophobicContact CB-CD2 4.28Å; W16-L60 HydrophobicContact CD2-CB 3.68Å; W16-L60 HydrophobicContact CD2-CD2 3.96Å; W16-L60 HydrophobicContact CD2-CG 4.3Å; W16-L60 HydrophobicContact CE3-CB 4.1Å; W16-L60 HydrophobicContact CE3-CD2 3.9Å; W16-L60 HydrophobicContact CG-CB 4.09Å; W16-L60 HydrophobicContact CG-CD1 4.18Å; W16-L60 HydrophobicContact CG-CD2 4.13Å; W16-L60 HydrophobicContact CG-CG 4.37Å; W16-L60 HydrophobicContact CH2-CB 4.26Å; W16-L60 HydrophobicContact CZ2-CB 3.86Å; W16-L60 HydrophobicContact CZ3-CB 4.37Å; W16-Y74 WeakPolarHBondContact CA-O 3.48Å; W16-C75 HydrophobicContact CE3-CB 4.3Å; W16-C75 HydrophobicContact CH2-CB 4.23Å; W16-C75 HydrophobicContact CZ2-CB 4.42Å; W16-C75 HydrophobicContact CZ3-CB 4.17Å
17V93.9Very high92.7Very high9 Ų952.4 Ų52.46%0.05531%0.307CS..EExtended strand (participates in β ladder)trans-136.9142.4-179.9-177.10000107.6P25 E26 Y73 Y74 W87V17-P25 HydrophobicContact CG1-CB 3.67Å; V17-E26 CarbonylContact C-O 3.56Å; V17-E26 WeakPolarHBondContact CA-O 3.17Å; V17-E26 VanDerWaalsContact CG1-O 3.31Å; V17-E26 WeakPolarHBondContact CG1-O 3.5Å; V17-Y73 CarbonylContact O-C 3.52Å; V17-Y73 WeakPolarHBondContact O-CA 3.07Å; V17-Y74 PolarHBondContact N-O 2.84Å; V17-Y74 PolarHBondContact O-N 3.19Å; V17-W87 HydrophobicContact CB-CH2 3.91Å; V17-W87 HydrophobicContact CB-CZ3 3.66Å; V17-W87 HydrophobicContact CG1-CH2 3.8Å; V17-W87 HydrophobicContact CG1-CZ3 3.79Å; V17-W87 HydrophobicContact CG2-CH2 3.67Å; V17-W87 HydrophobicContact CG2-CZ3 3.82Å
18R94Very high92.9Very high25 Ų2550.6 Ų50.69%0.09430%0.299CS..EExtended strand (participates in β ladder)trans-117.8154.6168.270.8176.1-175.6-179.39111P25 E26 L28 D69 A71 M72 Y73R18-P25 CarbonylContact O-C 3.6Å; R18-P25 WeakPolarHBondContact O-CA 3.22Å; R18-E26 HydrophobicContact CG-CB 4.02Å; R18-E26 IonicContact CZ-OE2 2.84Å; R18-E26 PolarHBondContact N-O 3.22Å; R18-E26 IonicContact NE-OE2 3.8Å; R18-E26 PolarHBondContact NE-OE2 3.34Å; R18-E26 IonicContact NH2-OE2 3.84Å; R18-E26 PolarHBondContact NH2-OE2 3.42Å; R18-E26 PolarHBondContact O-N 3.22Å; R18-L28 HydrophobicContact CB-CD1 4.1Å; R18-L28 HydrophobicContact CB-CD2 4.46Å; R18-L28 HydrophobicContact CB-CG 4.38Å; R18-L28 HydrophobicContact CG-CD1 4.33Å; R18-L28 HydrophobicContact CG-CD2 3.81Å; R18-L28 HydrophobicContact CG-CG 4.2Å; R18-D69 IonicContact NH1-OD1 3.32Å; R18-D69 PolarHBondContact NH1-OD1 2.94Å; R18-A71 HydrophobicContact CB-CB 3.97Å; R18-A71 HydrophobicContact CG-CB 4.42Å; R18-M72 CarbonylContact C-O 3.42Å; R18-M72 WeakPolarHBondContact CA-O 3.4Å; R18-Y73 HydrophobicContact CB-CD1 3.87Å; R18-Y73 HydrophobicContact CB-CE1 3.76Å; R18-Y73 HydrophobicContact CB-CE2 4.46Å; R18-Y73 HydrophobicContact CB-CG 4.28Å
19Q95Very high93Very high73 Ų7348.2 Ų48.234%0.34128%0.283SS..EExtended strand (participates in β ladder)trans-131.3101.6172.9-171.5176.1600109K23 A71 M72 Y74Q19-K23 WeakPolarHBondContact CG-O 3.42Å; Q19-K23 PolarHBondContact NE2-O 3.16Å; Q19-A71 WeakPolarHBondContact O-CB 3.26Å; Q19-M72 PolarHBondContact N-O 2.8Å; Q19-M72 PolarHBondContact O-N 2.84Å; Q19-Y74 HydrophobicContact CB-CE2 3.92Å
20P94.3Very high93.1Very high11 Ų1148.1 Ų48.17%0.07128%0.283CS..  trans-65.3153173.3-19.332000111.4G22 K23 A71P20-G22 PolarHBondContact O-N 2.91Å; P20-K23 HydrophobicContact CB-CB 4.11Å; P20-K23 HydrophobicContact CB-CD 4Å; P20-K23 HydrophobicContact CB-CG 4.25Å; P20-K23 HydrophobicContact CG-CB 4.32Å; P20-K23 HydrophobicContact CG-CD 4.15Å; P20-K23 PolarHBondContact O-N 2.9Å; P20-A71 HydrophobicContact CB-CB 4.44Å; P20-A71 HydrophobicContact CG-CB 4.31Å
21P94.4Very high93.2Very high99 Ų9944.7 Ų44.764%0.64326%0.261SS*.THydrogen-bonded Turntrans-54.5129.8175.7-24.734000111.8K23 T70P21-K23 PolarHBondContact O-N 3.13Å; P21-T70 WeakPolarHBondContact CD-O 3.5Å
22G94.8Very high93.4Very high94 Ų9445.5 Ų45.597%0.96925%0.254SS*.THydrogen-bonded Turntrans71.76.4-179.700000115.5P20P20-G22 PolarHBondContact O-N 2.91Å
23K92.8Very high93.6Very high129 Ų12943.4 Ų43.456%0.56125%0.253SS*.SBendtrans-117.1164.5177.2-61.9-171-175.7175.20112.2Q19 P20 P21Q19-K23 WeakPolarHBondContact CG-O 3.42Å; Q19-K23 PolarHBondContact NE2-O 3.16Å; P20-K23 HydrophobicContact CB-CB 4.11Å; P20-K23 HydrophobicContact CB-CD 4Å; P20-K23 HydrophobicContact CB-CG 4.25Å; P20-K23 HydrophobicContact CG-CB 4.32Å; P20-K23 HydrophobicContact CG-CD 4.15Å; P20-K23 PolarHBondContact O-N 2.9Å; P21-K23 PolarHBondContact O-N 3.13Å
24G92Very high93.6Very high45 Ų4547.2 Ų47.246%0.46429%0.292SS..  trans-74.8170.2171.800000112.7E26G24-E26 PolarHBondContact O-N 3.48Å
25P92.3Very high93.6Very high83 Ų8348.7 Ų48.754%0.53931%0.308SS..  trans-65.8130.6174.9-18.531.6000112.1V17 R18V17-P25 HydrophobicContact CG1-CB 3.67Å; R18-P25 CarbonylContact O-C 3.6Å; R18-P25 WeakPolarHBondContact O-CA 3.22Å
26E92Very high93.6Very high64 Ų6450.4 Ų50.430%0.29932%0.324SS..EExtended strand (participates in β ladder)trans-108.9119.3177.1-64.6177.7177.700109.5V17 R18 G24V17-E26 CarbonylContact C-O 3.56Å; V17-E26 WeakPolarHBondContact CA-O 3.17Å; V17-E26 VanDerWaalsContact CG1-O 3.31Å; V17-E26 WeakPolarHBondContact CG1-O 3.5Å; R18-E26 HydrophobicContact CG-CB 4.02Å; R18-E26 IonicContact CZ-OE2 2.84Å; R18-E26 PolarHBondContact N-O 3.22Å; R18-E26 IonicContact NE-OE2 3.8Å; R18-E26 PolarHBondContact NE-OE2 3.34Å; R18-E26 IonicContact NH2-OE2 3.84Å; R18-E26 PolarHBondContact NH2-OE2 3.42Å; R18-E26 PolarHBondContact O-N 3.22Å; G24-E26 PolarHBondContact O-N 3.48Å
27W91.9Very high93.6Very high98 Ų9852.3 Ų52.337%0.37134%0.337SS..EExtended strand (participates in β ladder)trans-70.6131.7174.9-179.472.6000110.7H15 G29 V30 N38 S40H15-W27 AromaticContact CG-NE1 3.89Å; H15-W27 AromaticContact ND1-CD1 3.86Å; H15-W27 AromaticContact ND1-NE1 3.14Å; H15-W27 PolarHBondContact ND1-NE1 2.94Å; H15-W27 VanDerWaalsContact ND1-NE1 3.14Å; W27-G29 VanDerWaalsContact CE2-C 3.47Å; W27-G29 VanDerWaalsContact CE2-CA 3.49Å; W27-G29 PolarHBondContact NE1-O 3.45Å; W27-V30 HydrophobicContact CZ2-CB 3.97Å; W27-V30 HydrophobicContact CZ2-CG1 3.8Å; W27-N38 HydrophobicContact CH2-CB 3.96Å; W27-S40 WeakPolarHBondContact O-CB 3.36Å; W27-S40 PolarHBondContact O-OG 2.86Å
28L92.4Very high93.5Very high1 Ų155.8 Ų55.81%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-100.6-40-178.2-63.7-175.3000112.5W16 R18 Y39 S40 L43 L47 L60 Y73W16-L28 HydrophobicContact CB-CB 4.05Å; W16-L28 HydrophobicContact CB-CD1 4.36Å; W16-L28 WeakPolarHBondContact O-CB 3.43Å; W16-L28 PolarHBondContact O-N 2.6Å; R18-L28 HydrophobicContact CB-CD1 4.1Å; R18-L28 HydrophobicContact CB-CD2 4.46Å; R18-L28 HydrophobicContact CB-CG 4.38Å; R18-L28 HydrophobicContact CG-CD1 4.33Å; R18-L28 HydrophobicContact CG-CD2 3.81Å; R18-L28 HydrophobicContact CG-CG 4.2Å; L28-Y39 CarbonylContact O-C 3.58Å; L28-Y39 WeakPolarHBondContact O-CA 3.41Å; L28-S40 PolarHBondContact O-N 2.82Å; L28-S40 PolarHBondContact O-OG 2.68Å; L28-L43 HydrophobicContact CD2-CD1 3.24Å; L28-L47 HydrophobicContact CB-CD1 4.02Å; L28-L47 HydrophobicContact CD2-CD1 4.2Å; L28-L60 HydrophobicContact CD1-CD2 3.82Å; L28-Y73 HydrophobicContact CD1-CD1 3.81Å; L28-Y73 HydrophobicContact CD1-CE1 3.72Å
29G93.3Very high93.4Very high0 Ų057 Ų570%036%0.36CS..EExtended strand (participates in β ladder)trans168.5178.6-174.800000112.7H15 W16 W27 N38H15-G29 CarbonylContact C-O 3.56Å; H15-G29 WeakPolarHBondContact CA-O 3.43Å; W16-G29 PolarHBondContact N-O 2.8Å; W16-G29 PolarHBondContact O-N 3.43Å; W27-G29 VanDerWaalsContact CE2-C 3.47Å; W27-G29 VanDerWaalsContact CE2-CA 3.49Å; W27-G29 PolarHBondContact NE1-O 3.45Å; G29-N38 CarbonylContact C-O 3.48Å; G29-N38 WeakPolarHBondContact CA-O 3.47Å
30V93.9Very high93.1Very high1 Ų154.6 Ų54.61%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-145.4147.3178.265.60000109.3V14 W27 W32 T37 N38V14-V30 WeakPolarHBondContact O-CA 3.44Å; V14-V30 WeakPolarHBondContact O-CG2 3.33Å; W27-V30 HydrophobicContact CZ2-CB 3.97Å; W27-V30 HydrophobicContact CZ2-CG1 3.8Å; V30-W32 HydrophobicContact CG1-CD2 4.2Å; V30-W32 HydrophobicContact CG1-CH2 4.3Å; V30-W32 HydrophobicContact CG1-CZ2 3.57Å; V30-W32 HydrophobicContact CG2-CD2 4.22Å; V30-W32 HydrophobicContact CG2-CE3 4.26Å; V30-W32 HydrophobicContact CG2-CH2 4.46Å; V30-W32 HydrophobicContact CG2-CZ2 4.42Å; V30-W32 HydrophobicContact CG2-CZ3 4.39Å; V30-T37 VanDerWaalsContact O-CA 3.23Å; V30-T37 WeakPolarHBondContact O-CA 3.46Å; V30-N38 HydrophobicContact CG1-CB 3.98Å; V30-N38 PolarHBondContact N-O 3.14Å; V30-N38 PolarHBondContact O-N 3.16Å
31I95.3Very high92Very high8 Ų859.7 Ų59.74%0.04139%0.387CS..EExtended strand (participates in β ladder)trans-112.6124.1160.2-171.6161.9000108.9G13 V14 S36 T37 I49 K51 V58G13-I31 CarbonylContact C-O 3.54Å; G13-I31 WeakPolarHBondContact CA-O 3.48Å; V14-I31 PolarHBondContact N-O 2.99Å; V14-I31 PolarHBondContact O-N 3.26Å; I31-S36 WeakPolarHBondContact CA-O 3.42Å; I31-T37 HydrophobicContact CB-CG2 3.95Å; I31-T37 HydrophobicContact CD1-CG2 4.01Å; I31-T37 HydrophobicContact CG1-CG2 3.84Å; I31-I49 HydrophobicContact CB-CG2 3.66Å; I31-I49 HydrophobicContact CD1-CG2 4.49Å; I31-I49 HydrophobicContact CG2-CG2 3.7Å; I31-K51 HydrophobicContact CD1-CB 4Å; I31-K51 HydrophobicContact CD1-CD 3.89Å; I31-K51 HydrophobicContact CD1-CG 3.72Å; I31-K51 HydrophobicContact CG1-CD 4.1Å; I31-K51 HydrophobicContact CG1-CG 4.47Å; I31-K51 HydrophobicContact CG2-CD 4.48Å; I31-V58 HydrophobicContact CG2-CG1 3.68Å; I31-V58 HydrophobicContact CG2-CG2 4.45Å
32W94.9Very high90.7Very high85 Ų8559.1 Ų59.132%0.32239%0.391SS..  trans-81169.2-177.3-59.7105.7000112V30 G34 G35 S36 N38 K51 D78V30-W32 HydrophobicContact CG1-CD2 4.2Å; V30-W32 HydrophobicContact CG1-CH2 4.3Å; V30-W32 HydrophobicContact CG1-CZ2 3.57Å; V30-W32 HydrophobicContact CG2-CD2 4.22Å; V30-W32 HydrophobicContact CG2-CE3 4.26Å; V30-W32 HydrophobicContact CG2-CH2 4.46Å; V30-W32 HydrophobicContact CG2-CZ2 4.42Å; V30-W32 HydrophobicContact CG2-CZ3 4.39Å; W32-G34 PolarHBondContact O-N 2.77Å; W32-G35 PolarHBondContact O-N 2.93Å; W32-S36 VanDerWaalsContact CD1-OG 3.27Å; W32-S36 PolarHBondContact N-O 3.12Å; W32-N38 PolarHBondContact NE1-OD1 2.97Å; W32-K51 PolarHBondContact O-NZ 2.99Å; W32-D78 HydrophobicContact CZ3-CB 4.49Å; W32-D78 VanDerWaalsContact CZ3-CG 3.5Å; W32-D78 VanDerWaalsContact CZ3-OD2 3.27Å; W32-D78 WeakPolarHBondContact CZ3-OD2 3.47Å
33A92.9Very high89.5Confident35 Ų3555.2 Ų55.229%0.28935%0.348SS..THydrogen-bonded Turntrans-52.4-41.4174.400000112.4G35 K51A33-G35 VanDerWaalsContact C-N 3.25Å; A33-G35 PolarHBondContact O-N 3.1Å; A33-K51 VanDerWaalsContact C-NZ 3.35Å; A33-K51 PolarHBondContact O-NZ 2.79Å
34G92.9Very high88.2Confident80 Ų8054.7 Ų54.783%0.82535%0.349SS*.THydrogen-bonded Turntrans-74.3-5.6175.900000115.4W32W32-G34 PolarHBondContact O-N 2.77Å
35G94.1Very high87.7Confident34 Ų3458.1 Ų58.135%0.35137%0.366SS..SBendtrans89.5-5.717900000115.3W32 A33W32-G35 PolarHBondContact O-N 2.93Å; A33-G35 VanDerWaalsContact C-N 3.25Å; A33-G35 PolarHBondContact O-N 3.1Å
36S94.7Very high87.5Confident72 Ų7256.2 Ų56.250%0.50335%0.348SS..  trans-62.9151.216952.10000111I31 W32I31-S36 WeakPolarHBondContact CA-O 3.42Å; W32-S36 VanDerWaalsContact CD1-OG 3.27Å; W32-S36 PolarHBondContact N-O 3.12Å
37T94.3Very high87.4Confident53 Ų5354 Ų5433%0.32534%0.338SS..EExtended strand (participates in β ladder)trans-124.6146.8-178.853.30000111.6V30 I31 Y39 I49V30-T37 VanDerWaalsContact O-CA 3.23Å; V30-T37 WeakPolarHBondContact O-CA 3.46Å; I31-T37 HydrophobicContact CB-CG2 3.95Å; I31-T37 HydrophobicContact CD1-CG2 4.01Å; I31-T37 HydrophobicContact CG1-CG2 3.84Å; T37-Y39 WeakPolarHBondContact OG1-CE2 3.31Å; T37-Y39 PolarHBondContact OG1-OH 2.63Å; T37-I49 HydrophobicContact CG2-CB 4.28Å
38N92.3Very high87.5Confident81 Ų8151.8 Ų51.843%0.43334%0.338SS..EExtended strand (participates in β ladder)trans-128.5149.2166.8-63.580.2000108.6W27 G29 V30 W32W27-N38 HydrophobicContact CH2-CB 3.96Å; G29-N38 CarbonylContact C-O 3.48Å; G29-N38 WeakPolarHBondContact CA-O 3.47Å; V30-N38 HydrophobicContact CG1-CB 3.98Å; V30-N38 PolarHBondContact N-O 3.14Å; V30-N38 PolarHBondContact O-N 3.16Å; W32-N38 PolarHBondContact NE1-OD1 2.97Å
39Y91.1Very high87.6Confident50 Ų5052.2 Ų52.220%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-128.5154.7-177.4-60.6-88.3000110L28 T37 M44 L47 I49L28-Y39 CarbonylContact O-C 3.58Å; L28-Y39 WeakPolarHBondContact O-CA 3.41Å; T37-Y39 WeakPolarHBondContact OG1-CE2 3.31Å; T37-Y39 PolarHBondContact OG1-OH 2.63Å; Y39-M44 HydrophobicContact CD2-CG 4.33Å; Y39-M44 HydrophobicContact CG-CG 4.22Å; Y39-L47 HydrophobicContact CD1-CB 4.03Å; Y39-L47 HydrophobicContact CE1-CB 4.12Å; Y39-I49 HydrophobicContact CD1-CD1 4.21Å; Y39-I49 HydrophobicContact CE1-CB 4.38Å; Y39-I49 HydrophobicContact CE1-CD1 3.86Å; Y39-I49 HydrophobicContact CE1-CG1 3.86Å; Y39-I49 PolarHBondContact OH-N 3.45Å
40S87.7Confident87.7Confident24 Ų2455 Ų5517%0.16836%0.359CS..  trans-75.4139.8165.764.50000110.4W27 L28 A42 L43 M44W27-S40 WeakPolarHBondContact O-CB 3.36Å; W27-S40 PolarHBondContact O-OG 2.86Å; L28-S40 PolarHBondContact O-N 2.82Å; L28-S40 PolarHBondContact O-OG 2.68Å; S40-A42 PolarHBondContact O-N 3.25Å; S40-A42 VanDerWaalsContact O-N 3.16Å; S40-L43 PolarHBondContact O-N 3.45Å; S40-M44 PolarHBondContact O-N 2.87Å
41S72.8Confident87.9Confident118 Ų11857.1 Ų57.183%0.82537%0.368SS*.THydrogen-bonded Turntrans-58.6-30.2-172.948.20000113.7L43S41-L43 VanDerWaalsContact C-N 3.29Å; S41-L43 PolarHBondContact O-N 2.82Å
42A67.3Low87.9Confident87 Ų8758.8 Ų58.872%0.71938%0.377SS*.THydrogen-bonded Turntrans-69.9-21.1-177.100000114.1S40S40-A42 PolarHBondContact O-N 3.25Å; S40-A42 VanDerWaalsContact O-N 3.16Å
43L67.7Low87.9Confident11 Ų1158 Ų586%0.05838%0.38CS..THydrogen-bonded Turntrans-132.42.3-170.3-62.9166.7000113.7L28 S40 S41 S45 R46 L47L28-L43 HydrophobicContact CD2-CD1 3.24Å; S40-L43 PolarHBondContact O-N 3.45Å; S41-L43 VanDerWaalsContact C-N 3.29Å; S41-L43 PolarHBondContact O-N 2.82Å; L43-S45 PolarHBondContact O-N 2.79Å; L43-S45 VanDerWaalsContact O-N 3.09Å; L43-R46 PolarHBondContact O-N 2.86Å; L43-L47 HydrophobicContact CB-CD1 3.54Å; L43-L47 HydrophobicContact CB-CG 4.01Å; L43-L47 HydrophobicContact CD1-CD1 4.39Å; L43-L47 WeakPolarHBondContact O-CG 3.37Å; L43-L47 PolarHBondContact O-N 2.88Å
44M65.9Low88Confident118 Ų11861.4 Ų61.458%0.58140%0.401SS*.THydrogen-bonded Turntrans-55.7-31.5-172.3-175.2171.816700114.2Y39 S40 R46Y39-M44 HydrophobicContact CD2-CG 4.33Å; Y39-M44 HydrophobicContact CG-CG 4.22Å; S40-M44 PolarHBondContact O-N 2.87Å; M44-R46 VanDerWaalsContact C-N 3.31Å; M44-R46 PolarHBondContact O-N 3.38Å
45S81Confident88.2Confident118 Ų11863.7 Ų63.783%0.82539%0.388SS*.THydrogen-bonded Turntrans-74.6-17.3-17960.10000114.4L43L43-S45 PolarHBondContact O-N 2.79Å; L43-S45 VanDerWaalsContact O-N 3.09Å
46R88.7Confident88.3Confident43 Ų4364 Ų6416%0.16239%0.386CS..THydrogen-bonded Turntrans-114.3-8.9-171.8-63.7-168.6-60.6129.52.9113.9L43 M44 M62 N63 S64 D69L43-R46 PolarHBondContact O-N 2.86Å; M44-R46 VanDerWaalsContact C-N 3.31Å; M44-R46 PolarHBondContact O-N 3.38Å; R46-M62 WeakPolarHBondContact O-CA 2.98Å; R46-N63 WeakPolarHBondContact CB-O 3.44Å; R46-N63 PolarHBondContact O-N 3.04Å; R46-S64 PolarHBondContact NH1-O 3.09Å; R46-D69 IonicContact CZ-OD1 2.91Å; R46-D69 IonicContact CZ-OD2 2.68Å; R46-D69 IonicContact NH1-OD1 3.16Å; R46-D69 IonicContact NH1-OD2 3.25Å; R46-D69 PolarHBondContact NH1-OD2 2.8Å; R46-D69 IonicContact NH2-OD1 3.44Å; R46-D69 PolarHBondContact NH2-OD1 2.8Å; R46-D69 IonicContact NH2-OD2 3.58Å; R46-D69 PolarHBondContact NH2-OD2 3.25Å
47L90.1Very high88.4Confident17 Ų1763 Ų639%0.08937%0.373CS..EExtended strand (participates in β ladder)trans-107.4143.7-175.3-58.9-179.5000111.6L28 Y39 L43 L60 K61 M62L28-L47 HydrophobicContact CB-CD1 4.02Å; L28-L47 HydrophobicContact CD2-CD1 4.2Å; Y39-L47 HydrophobicContact CD1-CB 4.03Å; Y39-L47 HydrophobicContact CE1-CB 4.12Å; L43-L47 HydrophobicContact CB-CD1 3.54Å; L43-L47 HydrophobicContact CB-CG 4.01Å; L43-L47 HydrophobicContact CD1-CD1 4.39Å; L43-L47 WeakPolarHBondContact O-CG 3.37Å; L43-L47 PolarHBondContact O-N 2.88Å; L47-L60 HydrophobicContact CB-CD1 4.47Å; L47-L60 HydrophobicContact CD2-CD1 4.26Å; L47-K61 CarbonylContact C-O 3.6Å; L47-K61 WeakPolarHBondContact CA-O 3.23Å; L47-M62 HydrophobicContact CD2-CB 4.07Å; L47-M62 HydrophobicContact CD2-CG 3.51Å; L47-M62 HydrophobicContact CD2-SD 3.97Å
48S93.3Very high88.5Confident52 Ų5260.5 Ų60.536%0.36436%0.357SS..EExtended strand (participates in β ladder)trans-137.7126.7167.5176.40000109.1K61S48-K61 PolarHBondContact N-O 2.87Å; S48-K61 PolarHBondContact O-N 2.86Å
49I95.3Very high88.7Confident9 Ų959.5 Ų59.55%0.04635%0.349CS..EExtended strand (participates in β ladder)trans-108132.6177-58.6164000108.6I31 T37 Y39 V58 F59 L60I31-I49 HydrophobicContact CB-CG2 3.66Å; I31-I49 HydrophobicContact CD1-CG2 4.49Å; I31-I49 HydrophobicContact CG2-CG2 3.7Å; T37-I49 HydrophobicContact CG2-CB 4.28Å; Y39-I49 HydrophobicContact CD1-CD1 4.21Å; Y39-I49 HydrophobicContact CE1-CB 4.38Å; Y39-I49 HydrophobicContact CE1-CD1 3.86Å; Y39-I49 HydrophobicContact CE1-CG1 3.86Å; Y39-I49 PolarHBondContact OH-N 3.45Å; I49-V58 HydrophobicContact CG2-CG1 4.05Å; I49-F59 VanDerWaalsContact CA-O 3.31Å; I49-F59 WeakPolarHBondContact CA-O 3.46Å; I49-L60 HydrophobicContact CD1-CD1 4.38Å; I49-L60 HydrophobicContact CG1-CD1 3.68Å
50S96.6Very high88.9Confident60 Ų6058.4 Ų58.442%0.4235%0.347SS..EExtended strand (participates in β ladder)trans-139.3168.5174.567.40000110.9V58 F59S50-V58 WeakPolarHBondContact O-CA 3.45Å; S50-V58 WeakPolarHBondContact O-CG1 3.38Å; S50-F59 PolarHBondContact N-O 3.06Å; S50-F59 PolarHBondContact O-N 3.04Å
51K96.7Very high89.2Confident45 Ų4563.4 Ų63.420%0.19637%0.365CS..EExtended strand (participates in β ladder)trans-142.3151.8177.270.6-176.8-173.4178.70112.3L9 I31 W32 A33 N53 Q57 V58L9-K51 HydrophobicContact CB-CD 4.39Å; L9-K51 HydrophobicContact CD1-CB 4.33Å; L9-K51 PolarHBondContact O-NZ 3.08Å; I31-K51 HydrophobicContact CD1-CB 4Å; I31-K51 HydrophobicContact CD1-CD 3.89Å; I31-K51 HydrophobicContact CD1-CG 3.72Å; I31-K51 HydrophobicContact CG1-CD 4.1Å; I31-K51 HydrophobicContact CG1-CG 4.47Å; I31-K51 HydrophobicContact CG2-CD 4.48Å; W32-K51 PolarHBondContact O-NZ 2.99Å; A33-K51 VanDerWaalsContact C-NZ 3.35Å; A33-K51 PolarHBondContact O-NZ 2.79Å; K51-N53 WeakPolarHBondContact CD-OD1 3.09Å; K51-N53 WeakPolarHBondContact CE-OD1 3.01Å; K51-Q57 CarbonylContact C-O 3.4Å; K51-Q57 VanDerWaalsContact CA-O 3.29Å; K51-Q57 WeakPolarHBondContact CA-O 3.44Å; K51-V58 HydrophobicContact CB-CG2 4.11Å
52D96.7Very high90.1Very high43 Ų4360 Ų6023%0.2334%0.337CS..EExtended strand (participates in β ladder)trans-121.7103.7169.6-176.5-17.8000108S54 K55 S56 Q57 F59D52-S54 VanDerWaalsContact C-N 3.28Å; D52-S54 PolarHBondContact O-N 3.42Å; D52-S54 WeakPolarHBondContact OD1-CB 3.46Å; D52-S54 PolarHBondContact OD1-N 2.98Å; D52-S54 PolarHBondContact OD1-OG 2.83Å; D52-K55 HydrophobicContact CB-CB 4.34Å; D52-K55 PolarHBondContact O-N 3.09Å; D52-K55 PolarHBondContact OD1-N 2.03Å; D52-K55 WeakPolarHBondContact OD2-CD 3.4Å; D52-K55 VanDerWaalsContact OD2-CE 3.31Å; D52-K55 WeakPolarHBondContact OD2-CE 3.23Å; D52-K55 WeakPolarHBondContact OD2-CG 3.23Å; D52-K55 IonicContact OD2-NZ 2.8Å; D52-S56 PolarHBondContact O-N 2.86Å; D52-S56 VanDerWaalsContact O-N 3.07Å; D52-Q57 PolarHBondContact N-O 3.04Å; D52-Q57 PolarHBondContact O-N 2.88Å; D52-F59 HydrophobicContact CB-CE2 3.91Å
53N95.1Very high91.2Very high69 Ų6959.4 Ų59.437%0.36932%0.322SS..THydrogen-bonded Turntrans-65.3-33.7-179.1-65.3-17000111.7L9 T10 K51 K55 S56L9-N53 VanDerWaalsContact CB-OD1 3.32Å; L9-N53 WeakPolarHBondContact CB-OD1 3.3Å; T10-N53 HydrophobicContact CG2-CB 4.39Å; T10-N53 WeakPolarHBondContact CG2-ND2 3.33Å; K51-N53 WeakPolarHBondContact CD-OD1 3.09Å; K51-N53 WeakPolarHBondContact CE-OD1 3.01Å; N53-K55 PolarHBondContact O-N 2.84Å; N53-S56 PolarHBondContact O-N 2.77Å
54S94.9Very high92.2Very high106 Ų10663.5 Ų63.574%0.74135%0.351SS*.THydrogen-bonded Turntrans-66.1-30.1-178.773.80000112D52D52-S54 VanDerWaalsContact C-N 3.28Å; D52-S54 PolarHBondContact O-N 3.42Å; D52-S54 WeakPolarHBondContact OD1-CB 3.46Å; D52-S54 PolarHBondContact OD1-N 2.98Å; D52-S54 PolarHBondContact OD1-OG 2.83Å
55K96.2Very high93.2Very high127 Ų12761.4 Ų61.455%0.55234%0.342SS*.THydrogen-bonded Turntrans-99.7-2.2178.5-62.5-178.8-169162.90113.5D52 N53 Q57D52-K55 HydrophobicContact CB-CB 4.34Å; D52-K55 PolarHBondContact O-N 3.09Å; D52-K55 PolarHBondContact OD1-N 2.03Å; D52-K55 WeakPolarHBondContact OD2-CD 3.4Å; D52-K55 VanDerWaalsContact OD2-CE 3.31Å; D52-K55 WeakPolarHBondContact OD2-CE 3.23Å; D52-K55 WeakPolarHBondContact OD2-CG 3.23Å; D52-K55 IonicContact OD2-NZ 2.8Å; N53-K55 PolarHBondContact O-N 2.84Å; K55-Q57 HydrophobicContact CB-CB 4.25Å; K55-Q57 HydrophobicContact CB-CG 4.12Å; K55-Q57 WeakPolarHBondContact O-CG 3.27Å; K55-Q57 PolarHBondContact O-N 2.91Å
56S95.5Very high93.7Very high42 Ų4260.9 Ų60.929%0.29433%0.327SS..THydrogen-bonded Turntrans51.444.2-171.1-60.70000112T3 V4 D52 N53T3-S56 WeakPolarHBondContact CA-O 3.38Å; V4-S56 WeakPolarHBondContact CG2-O 2.99Å; V4-S56 PolarHBondContact N-O 3.26Å; D52-S56 PolarHBondContact O-N 2.86Å; D52-S56 VanDerWaalsContact O-N 3.07Å; N53-S56 PolarHBondContact O-N 2.77Å
57Q97.3Very high93.8Very high50 Ų5062.3 Ų62.323%0.23434%0.34CS..EExtended strand (participates in β ladder)trans-121.7140.9-176.6-77.2178.4-1100112.5T1 C2 T3 K51 D52 K55 F59T1-Q57 HydrophobicContact CG2-CB 4.29Å; T1-Q57 HydrophobicContact CG2-CG 4.18Å; C2-Q57 CarbonylContact O-C 3.56Å; C2-Q57 WeakPolarHBondContact O-CA 3.45Å; T3-Q57 HydrophobicContact CG2-CG 4.32Å; T3-Q57 PolarHBondContact OG1-NE2 3.04Å; K51-Q57 CarbonylContact C-O 3.4Å; K51-Q57 VanDerWaalsContact CA-O 3.29Å; K51-Q57 WeakPolarHBondContact CA-O 3.44Å; D52-Q57 PolarHBondContact N-O 3.04Å; D52-Q57 PolarHBondContact O-N 2.88Å; K55-Q57 HydrophobicContact CB-CB 4.25Å; K55-Q57 HydrophobicContact CB-CG 4.12Å; K55-Q57 WeakPolarHBondContact O-CG 3.27Å; K55-Q57 PolarHBondContact O-N 2.91Å; Q57-F59 HydrophobicContact CB-CE1 4.3Å; Q57-F59 HydrophobicContact CB-CE2 3.84Å; Q57-F59 HydrophobicContact CB-CZ 3.58Å; Q57-F59 HydrophobicContact CG-CZ 4.46Å
58V96.9Very high93.8Very high0 Ų067.4 Ų67.40%037%0.367CS..EExtended strand (participates in β ladder)trans-119.7138.8171.3-176.40000108.7T1 C2 L9 V14 W16 I31 I49 S50 K51T1-V58 CarbonylContact C-O 3.6Å; T1-V58 WeakPolarHBondContact CA-O 3.09Å; C2-V58 PolarHBondContact N-O 2.88Å; C2-V58 PolarHBondContact O-N 3.21Å; L9-V58 HydrophobicContact CD1-CG2 3.84Å; L9-V58 HydrophobicContact CD2-CG2 3.62Å; L9-V58 HydrophobicContact CG-CG2 4.41Å; V14-V58 HydrophobicContact CB-CG1 4.37Å; V14-V58 HydrophobicContact CB-CG2 3.94Å; V14-V58 HydrophobicContact CG1-CB 4.35Å; V14-V58 HydrophobicContact CG1-CG1 4.32Å; V14-V58 HydrophobicContact CG1-CG2 4.2Å; V14-V58 HydrophobicContact CG2-CG2 3.87Å; W16-V58 HydrophobicContact CZ2-CG1 4.4Å; I31-V58 HydrophobicContact CG2-CG1 3.68Å; I31-V58 HydrophobicContact CG2-CG2 4.45Å; I49-V58 HydrophobicContact CG2-CG1 4.05Å; S50-V58 WeakPolarHBondContact O-CA 3.45Å; S50-V58 WeakPolarHBondContact O-CG1 3.38Å; K51-V58 HydrophobicContact CB-CG2 4.11Å
59F97.1Very high93.6Very high60 Ų6065.2 Ų65.226%0.26335%0.352SS..EExtended strand (participates in β ladder)trans-119.3136.1-175.2-52.7-87.5000109.7T1 I49 S50 D52 Q57T1-F59 HydrophobicContact CG2-CD1 3.7Å; T1-F59 HydrophobicContact CG2-CE1 3.46Å; T1-F59 VanDerWaalsContact CG2-CE1 3.46Å; T1-F59 HydrophobicContact CG2-CZ 4.28Å; T1-F59 WeakPolarHBondContact OG1-CD1 3.36Å; I49-F59 VanDerWaalsContact CA-O 3.31Å; I49-F59 WeakPolarHBondContact CA-O 3.46Å; S50-F59 PolarHBondContact N-O 3.06Å; S50-F59 PolarHBondContact O-N 3.04Å; D52-F59 HydrophobicContact CB-CE2 3.91Å; Q57-F59 HydrophobicContact CB-CE1 4.3Å; Q57-F59 HydrophobicContact CB-CE2 3.84Å; Q57-F59 HydrophobicContact CB-CZ 3.58Å; Q57-F59 HydrophobicContact CG-CZ 4.46Å
60L95Very high93.6Very high27 Ų2766.3 Ų66.314%0.14136%0.359CS..EExtended strand (participates in β ladder)trans-112.6111.9165.7179.269.5000106.5W16 L28 L47 I49 M62 Y73W16-L60 HydrophobicContact CB-CD1 4.44Å; W16-L60 HydrophobicContact CB-CD2 4.28Å; W16-L60 HydrophobicContact CD2-CB 3.68Å; W16-L60 HydrophobicContact CD2-CD2 3.96Å; W16-L60 HydrophobicContact CD2-CG 4.3Å; W16-L60 HydrophobicContact CE3-CB 4.1Å; W16-L60 HydrophobicContact CE3-CD2 3.9Å; W16-L60 HydrophobicContact CG-CB 4.09Å; W16-L60 HydrophobicContact CG-CD1 4.18Å; W16-L60 HydrophobicContact CG-CD2 4.13Å; W16-L60 HydrophobicContact CG-CG 4.37Å; W16-L60 HydrophobicContact CH2-CB 4.26Å; W16-L60 HydrophobicContact CZ2-CB 3.86Å; W16-L60 HydrophobicContact CZ3-CB 4.37Å; L28-L60 HydrophobicContact CD1-CD2 3.82Å; L47-L60 HydrophobicContact CB-CD1 4.47Å; L47-L60 HydrophobicContact CD2-CD1 4.26Å; I49-L60 HydrophobicContact CD1-CD1 4.38Å; I49-L60 HydrophobicContact CG1-CD1 3.68Å; L60-M62 HydrophobicContact CD2-CG 4.12Å; L60-M62 HydrophobicContact CD2-SD 3.9Å; L60-M62 HydrophobicContact CG-CG 3.93Å; L60-M62 HydrophobicContact CG-SD 4.38Å; L60-Y73 HydrophobicContact CD2-CD1 4.03Å; L60-Y73 HydrophobicContact CD2-CE1 4.41Å
61K94.1Very high93.5Very high130 Ų13063.5 Ų63.557%0.56534%0.339SS*.EExtended strand (participates in β ladder)trans-96.3127.2170.7-176.9175.1-178.51800108.1L47 S48 N63L47-K61 CarbonylContact C-O 3.6Å; L47-K61 WeakPolarHBondContact CA-O 3.23Å; S48-K61 PolarHBondContact N-O 2.87Å; S48-K61 PolarHBondContact O-N 2.86Å; K61-N63 VanDerWaalsContact CE-OD1 3.29Å; K61-N63 WeakPolarHBondContact CE-OD1 3.49Å
62M91.1Very high93.6Very high45 Ų4563.8 Ų63.822%0.22234%0.342CS..EExtended strand (participates in β ladder)trans-118.8123.5178-52.3-167.7-80.900107.9R46 L47 L60 L65 Y73R46-M62 WeakPolarHBondContact O-CA 2.98Å; L47-M62 HydrophobicContact CD2-CB 4.07Å; L47-M62 HydrophobicContact CD2-CG 3.51Å; L47-M62 HydrophobicContact CD2-SD 3.97Å; L60-M62 HydrophobicContact CD2-CG 4.12Å; L60-M62 HydrophobicContact CD2-SD 3.9Å; L60-M62 HydrophobicContact CG-CG 3.93Å; L60-M62 HydrophobicContact CG-SD 4.38Å; M62-L65 HydrophobicContact CB-CD2 3.77Å; M62-L65 HydrophobicContact CB-CG 4.3Å; M62-L65 HydrophobicContact CE-CD2 4.09Å; M62-L65 HydrophobicContact SD-CD2 4.15Å; M62-Y73 HydrophobicContact CE-CD1 4.17Å; M62-Y73 HydrophobicContact CE-CE1 3.71Å; M62-Y73 HydrophobicContact CE-CE2 4.39Å; M62-Y73 HydrophobicContact SD-CD1 4.19Å; M62-Y73 HydrophobicContact SD-CE1 3.43Å; M62-Y73 WeakPolarHBondContact SD-CE1 3.47Å
63N90Very high93.5Very high75 Ų7562.2 Ų62.240%0.40133%0.333SS..  trans-105148.9178.1-59-44.7000109.6R46 K61 L65R46-N63 WeakPolarHBondContact CB-O 3.44Å; R46-N63 PolarHBondContact O-N 3.04Å; K61-N63 VanDerWaalsContact CE-OD1 3.29Å; K61-N63 WeakPolarHBondContact CE-OD1 3.49Å; N63-L65 PolarHBondContact O-N 3.5Å
64S87.9Confident93.5Very high98 Ų9860.9 Ų60.969%0.68532%0.323SS*.SBendtrans5354.9176.3-53.80000112.5R46R46-S64 PolarHBondContact NH1-O 3.09Å
65L88.7Confident93.5Very high74 Ų7456.7 Ų56.739%0.38729%0.293SS..  trans-59.5141176.7-74.8171.8000110.9M62 N63 D69 V95M62-L65 HydrophobicContact CB-CD2 3.77Å; M62-L65 HydrophobicContact CB-CG 4.3Å; M62-L65 HydrophobicContact CE-CD2 4.09Å; M62-L65 HydrophobicContact SD-CD2 4.15Å; N63-L65 PolarHBondContact O-N 3.5Å; L65-D69 WeakPolarHBondContact CA-OD2 3.39Å; L65-D69 HydrophobicContact CD2-CB 3.79Å; L65-V95 HydrophobicContact CB-CG1 4.29Å; L65-V95 HydrophobicContact CB-CG2 4.06Å; L65-V95 HydrophobicContact CD1-CG2 4.24Å
66Q90.3Very high93.3Very high107 Ų10750.9 Ų50.950%0.527%0.269SS..  trans-118.2163176.8-63178.1-3.300109.3D68 D69 V95Q66-D68 PolarHBondContact O-N 2.77Å; Q66-D68 VanDerWaalsContact O-N 3.13Å; Q66-D69 PolarHBondContact N-OD2 2.9Å; Q66-D69 VanDerWaalsContact O-CB 3.31Å; Q66-D69 WeakPolarHBondContact O-CB 3.29Å; Q66-D69 PolarHBondContact O-N 2.85Å; Q66-V95 WeakPolarHBondContact O-CB 3.31Å; Q66-V95 WeakPolarHBondContact O-CG1 3.19Å
67T91.6Very high93.1Very high73 Ų7350.9 Ų50.945%0.44826%0.263SS..G310 helixtrans-53.7-34.7177.5490000112.4D69 T70 A97T67-D69 PolarHBondContact O-N 3.38Å; T67-T70 VanDerWaalsContact O-CB 3.3Å; T67-T70 WeakPolarHBondContact O-CB 3.4Å; T67-T70 PolarHBondContact O-N 3.31Å; T67-T70 VanDerWaalsContact O-N 3.08Å; T67-T70 PolarHBondContact O-OG1 2.89Å; T67-A97 HydrophobicContact CG2-CB 4.48Å
68D89Confident92.3Very high123 Ų12349.8 Ų49.866%0.65826%0.259SS*.G310 helixtrans-68.5-12.5178.6-69.36.4000113.7Q66 T70Q66-D68 PolarHBondContact O-N 2.77Å; Q66-D68 VanDerWaalsContact O-N 3.13Å; D68-T70 VanDerWaalsContact C-N 3.25Å
69D90.5Very high91.1Very high6 Ų655.5 Ų55.53%0.03228%0.28CS..G310 helixtrans-84.1-0.2173.4-59.6-46.9000112.5R18 R46 L65 Q66 T67 A71 Y73R18-D69 IonicContact NH1-OD1 3.32Å; R18-D69 PolarHBondContact NH1-OD1 2.94Å; R46-D69 IonicContact CZ-OD1 2.91Å; R46-D69 IonicContact CZ-OD2 2.68Å; R46-D69 IonicContact NH1-OD1 3.16Å; R46-D69 IonicContact NH1-OD2 3.25Å; R46-D69 PolarHBondContact NH1-OD2 2.8Å; R46-D69 IonicContact NH2-OD1 3.44Å; R46-D69 PolarHBondContact NH2-OD1 2.8Å; R46-D69 IonicContact NH2-OD2 3.58Å; R46-D69 PolarHBondContact NH2-OD2 3.25Å; L65-D69 WeakPolarHBondContact CA-OD2 3.39Å; L65-D69 HydrophobicContact CD2-CB 3.79Å; Q66-D69 PolarHBondContact N-OD2 2.9Å; Q66-D69 VanDerWaalsContact O-CB 3.31Å; Q66-D69 WeakPolarHBondContact O-CB 3.29Å; Q66-D69 PolarHBondContact O-N 2.85Å; T67-D69 PolarHBondContact O-N 3.38Å; D69-A71 PolarHBondContact O-N 2.73Å; D69-A71 VanDerWaalsContact O-N 3.12Å; D69-Y73 WeakPolarHBondContact O-CE2 3.47Å; D69-Y73 PolarHBondContact O-OH 3.03Å
70T94.4Very high89.1Confident33 Ų3360.6 Ų60.620%0.20230%0.299CS..  trans-63.2112172.1-64.40000110.3P21 T67 D68 V93 T94 V95P21-T70 WeakPolarHBondContact CD-O 3.5Å; T67-T70 VanDerWaalsContact O-CB 3.3Å; T67-T70 WeakPolarHBondContact O-CB 3.4Å; T67-T70 PolarHBondContact O-N 3.31Å; T67-T70 VanDerWaalsContact O-N 3.08Å; T67-T70 PolarHBondContact O-OG1 2.89Å; D68-T70 VanDerWaalsContact C-N 3.25Å; T70-V93 VanDerWaalsContact CA-O 3.32Å; T70-V93 WeakPolarHBondContact CA-O 3.46Å; T70-T94 HydrophobicContact CG2-CG2 4.37Å; T70-V95 PolarHBondContact OG1-N 2.88Å; T70-V95 PolarHBondContact OG1-O 3.34Å
71A95.3Very high87.1Confident0 Ų070 Ų700%033%0.334CS..EExtended strand (participates in β ladder)trans-164.5165.1-17500000111.5R18 Q19 P20 D69 Y73 V93R18-A71 HydrophobicContact CB-CB 3.97Å; R18-A71 HydrophobicContact CG-CB 4.42Å; Q19-A71 WeakPolarHBondContact O-CB 3.26Å; P20-A71 HydrophobicContact CB-CB 4.44Å; P20-A71 HydrophobicContact CG-CB 4.31Å; D69-A71 PolarHBondContact O-N 2.73Å; D69-A71 VanDerWaalsContact O-N 3.12Å; A71-Y73 HydrophobicContact CB-CD2 4.3Å; A71-Y73 HydrophobicContact CB-CE2 3.75Å; A71-Y73 VanDerWaalsContact O-CD2 3.22Å; A71-Y73 WeakPolarHBondContact O-CD2 3.36Å; A71-Y73 WeakPolarHBondContact O-CE2 3.43Å; A71-V93 PolarHBondContact N-O 2.96Å; A71-V93 VanDerWaalsContact N-O 3.1Å; A71-V93 PolarHBondContact O-N 2.6Å
72M97.2Very high85Confident52 Ų5268 Ų6826%0.25635%0.349SS..EExtended strand (participates in β ladder)trans-78129.6159.9-77.7-68.7-66.600109.6R18 Q19 Y74 T91 L92R18-M72 CarbonylContact C-O 3.42Å; R18-M72 WeakPolarHBondContact CA-O 3.4Å; Q19-M72 PolarHBondContact N-O 2.8Å; Q19-M72 PolarHBondContact O-N 2.84Å; M72-Y74 HydrophobicContact CB-CD2 4.44Å; M72-Y74 HydrophobicContact CB-CE2 3.46Å; M72-Y74 VanDerWaalsContact CB-CE2 3.46Å; M72-Y74 VanDerWaalsContact CB-OH 3.26Å; M72-Y74 WeakPolarHBondContact CB-OH 3.49Å; M72-Y74 HydrophobicContact CE-CE1 4.01Å; M72-T91 CarbonylContact C-O 3.55Å; M72-T91 WeakPolarHBondContact CA-O 3.31Å; M72-L92 HydrophobicContact CG-CD1 4.35Å; M72-L92 VanDerWaalsContact SD-CA 3.58Å; M72-L92 HydrophobicContact SD-CB 3.66Å; M72-L92 HydrophobicContact SD-CD1 4.2Å; M72-L92 PolarHBondContact SD-N 3.19Å
73Y95.6Very high83.5Confident9 Ų968.1 Ų68.14%0.03536%0.355CS..EExtended strand (participates in β ladder)trans-110.5128.6179.3-72.3-102.1000110.4V17 R18 L28 L60 M62 D69 A71 G90 T91 V93V17-Y73 CarbonylContact O-C 3.52Å; V17-Y73 WeakPolarHBondContact O-CA 3.07Å; R18-Y73 HydrophobicContact CB-CD1 3.87Å; R18-Y73 HydrophobicContact CB-CE1 3.76Å; R18-Y73 HydrophobicContact CB-CE2 4.46Å; R18-Y73 HydrophobicContact CB-CG 4.28Å; L28-Y73 HydrophobicContact CD1-CD1 3.81Å; L28-Y73 HydrophobicContact CD1-CE1 3.72Å; L60-Y73 HydrophobicContact CD2-CD1 4.03Å; L60-Y73 HydrophobicContact CD2-CE1 4.41Å; M62-Y73 HydrophobicContact CE-CD1 4.17Å; M62-Y73 HydrophobicContact CE-CE1 3.71Å; M62-Y73 HydrophobicContact CE-CE2 4.39Å; M62-Y73 HydrophobicContact SD-CD1 4.19Å; M62-Y73 HydrophobicContact SD-CE1 3.43Å; M62-Y73 WeakPolarHBondContact SD-CE1 3.47Å; D69-Y73 WeakPolarHBondContact O-CE2 3.47Å; D69-Y73 PolarHBondContact O-OH 3.03Å; A71-Y73 HydrophobicContact CB-CD2 4.3Å; A71-Y73 HydrophobicContact CB-CE2 3.75Å; A71-Y73 VanDerWaalsContact O-CD2 3.22Å; A71-Y73 WeakPolarHBondContact O-CD2 3.36Å; A71-Y73 WeakPolarHBondContact O-CE2 3.43Å; Y73-G90 CarbonylContact O-C 3.51Å; Y73-G90 WeakPolarHBondContact O-CA 3.4Å; Y73-T91 PolarHBondContact N-O 3.06Å; Y73-T91 PolarHBondContact O-N 3.36Å; Y73-V93 HydrophobicContact CD2-CB 3.78Å; Y73-V93 HydrophobicContact CD2-CG2 3.59Å; Y73-V93 HydrophobicContact CE2-CB 3.68Å; Y73-V93 HydrophobicContact CE2-CG1 4.45Å; Y73-V93 HydrophobicContact CE2-CG2 3.94Å; Y73-V93 HydrophobicContact CG-CG2 4.34Å
74Y95.4Very high82Confident41 Ų4168.9 Ų68.916%0.16137%0.366CS..EExtended strand (participates in β ladder)trans-121.8145-176.8-53.4-90.2000110.4W16 V17 Q19 M72 W87W16-Y74 WeakPolarHBondContact CA-O 3.48Å; V17-Y74 PolarHBondContact N-O 2.84Å; V17-Y74 PolarHBondContact O-N 3.19Å; Q19-Y74 HydrophobicContact CB-CE2 3.92Å; M72-Y74 HydrophobicContact CB-CD2 4.44Å; M72-Y74 HydrophobicContact CB-CE2 3.46Å; M72-Y74 VanDerWaalsContact CB-CE2 3.46Å; M72-Y74 VanDerWaalsContact CB-OH 3.26Å; M72-Y74 WeakPolarHBondContact CB-OH 3.49Å; M72-Y74 HydrophobicContact CE-CE1 4.01Å; Y74-W87 HydrophobicContact CD1-CE3 4.4Å; Y74-W87 HydrophobicContact CD2-CZ3 4.39Å; Y74-W87 AromaticContact CG-CE3 3.97Å; Y74-W87 HydrophobicContact CG-CE3 3.97Å; Y74-W87 HydrophobicContact CG-CZ3 4.18Å
75C94.3Very high81.1Confident18 Ų1866.2 Ų66.212%0.12235%0.346CS..EExtended strand (participates in β ladder)trans-101.7144.3159.857.10000109.5C2 V14 H15 W16 G88C2-C75 HydrophobicContact CB-CB 3.44Å; C2-C75 VanDerWaalsContact CB-CB 3.44Å; C2-C75 WeakPolarHBondContact CB-SG 3.32Å; C2-C75 WeakPolarHBondContact SG-CB 3.32Å; C2-C75 CovalentContact SG-SG 2.03Å; C2-C75 PolarHBondContact SG-SG 3.21Å; V14-C75 HydrophobicContact CG1-CB 3.99Å; H15-C75 CarbonylContact O-C 3.59Å; H15-C75 VanDerWaalsContact O-CA 3.23Å; H15-C75 WeakPolarHBondContact O-CA 3.36Å; W16-C75 HydrophobicContact CE3-CB 4.3Å; W16-C75 HydrophobicContact CH2-CB 4.23Å; W16-C75 HydrophobicContact CZ2-CB 4.42Å; W16-C75 HydrophobicContact CZ3-CB 4.17Å; C75-G88 PolarHBondContact O-N 3.34Å
76A92.4Very high80.8Confident6 Ų670 Ų705%0.0536%0.357CS..EExtended strand (participates in β ladder)trans-135.5137.8177.100000110.7V14 H15 Y86 W87V14-A76 CarbonylContact C-O 3.39Å; V14-A76 WeakPolarHBondContact CA-O 3.47Å; H15-A76 HydrophobicContact CB-CB 4.44Å; H15-A76 PolarHBondContact N-O 3.01Å; H15-A76 PolarHBondContact O-N 3.32Å; A76-Y86 VanDerWaalsContact CA-O 3.3Å; A76-Y86 WeakPolarHBondContact CA-O 3.42Å; A76-W87 HydrophobicContact CB-CD2 3.95Å; A76-W87 HydrophobicContact CB-CE3 4.27Å; A76-W87 HydrophobicContact CB-CG 4.26Å
77R90.3Very high80.8Confident42 Ų4270.7 Ų70.716%0.15836%0.355CS..EExtended strand (participates in β ladder)trans-70.3134.1175-171.1-17574.4-177.54.5110.1F7 Y12 Y86F7-R77 HydrophobicContact CD1-CG 4.14Å; F7-R77 HydrophobicContact CD2-CG 4.11Å; F7-R77 HydrophobicContact CE1-CB 3.97Å; F7-R77 HydrophobicContact CE1-CG 3.77Å; F7-R77 HydrophobicContact CE2-CG 3.75Å; F7-R77 HydrophobicContact CG-CG 4.27Å; F7-R77 HydrophobicContact CZ-CB 3.85Å; F7-R77 HydrophobicContact CZ-CG 3.54Å; Y12-R77 HydrophobicContact CD1-CG 4.25Å; Y12-R77 HydrophobicContact CG-CG 4.32Å; R77-Y86 VanDerWaalsContact CZ-CD2 3.48Å; R77-Y86 PolarHBondContact N-O 3.07Å; R77-Y86 VanDerWaalsContact NH2-CD2 3.35Å; R77-Y86 VanDerWaalsContact NH2-CE2 3.26Å
78D80.6Confident80.8Confident27 Ų2768.6 Ų68.614%0.14435%0.348CS..  trans-62.3150.4171.4-179.541.5000111.7G13 H15 W32G13-D78 VanDerWaalsContact O-CB 3.23Å; G13-D78 WeakPolarHBondContact O-CB 3.32Å; G13-D78 PolarHBondContact O-N 2.8Å; H15-D78 WeakPolarHBondContact NE2-CB 3.3Å; H15-D78 IonicContact NE2-OD1 2.94Å; H15-D78 PolarHBondContact NE2-OD1 3.22Å; H15-D78 VanDerWaalsContact NE2-OD1 3.16Å; W32-D78 HydrophobicContact CZ3-CB 4.49Å; W32-D78 VanDerWaalsContact CZ3-CG 3.5Å; W32-D78 VanDerWaalsContact CZ3-OD2 3.27Å; W32-D78 WeakPolarHBondContact CZ3-OD2 3.47Å
79R72.4Confident81Confident120 Ų12071.4 Ų71.445%0.45336%0.357SS..  trans-104.8128-176.8-75.9162.9157.4-177.2-34.9110.1S83 S84 P85R79-S83 WeakPolarHBondContact CD-O 3.29Å; R79-S83 PolarHBondContact NE-O 2.81Å; R79-S83 PolarHBondContact NH2-O 3.44Å; R79-S84 VanDerWaalsContact NH2-CA 3.34Å; R79-P85 HydrophobicContact CG-CB 4.46Å; R79-P85 VanDerWaalsContact NE-N 3.15Å
80Y55.7Low81.2Confident167 Ų16772.4 Ų72.466%0.65537%0.369SS*.SBendtrans-81.4130.3144.1-99.8-98.2000108.1
81Y51.4Low81.3Confident225 Ų22575 Ų7588%0.88239%0.385SS*.THydrogen-bonded Turntrans8.5107.3172.1-68-89.3000117.1
82G52Low81.3Confident86 Ų8680 Ų8089%0.88741%0.411SS*.THydrogen-bonded Turntrans94.5-8.2155.700000119.9
83S58.8Low81.2Confident48 Ų4879.2 Ų79.234%0.33641%0.409SS..SBendtrans-90.8156.1177.459.20000113R79R79-S83 WeakPolarHBondContact CD-O 3.29Å; R79-S83 PolarHBondContact NE-O 2.81Å; R79-S83 PolarHBondContact NH2-O 3.44Å
84S59.3Low81.2Confident92 Ų9283.5 Ų83.564%0.64344%0.436SS*.PPolyproline II helixtrans-64.8140173.2-83.10000112R79 Y86R79-S84 VanDerWaalsContact NH2-CA 3.34Å; S84-Y86 PolarHBondContact O-N 2.71Å
85P67.3Low81Confident41 Ų4183 Ų8327%0.26644%0.437SS..PPolyproline II helixtrans-73.7129.3-179.420.5-3.7000107.4R79 W87R79-P85 HydrophobicContact CG-CB 4.46Å; R79-P85 VanDerWaalsContact NE-N 3.15Å; P85-W87 PolarHBondContact O-N 3.23Å
86Y82.9Confident80.9Confident155 Ų15587 Ų8761%0.60847%0.465SS*.PPolyproline II helixtrans-81.3118.1173.9-69.3-86.4000108.3A76 R77 S84A76-Y86 VanDerWaalsContact CA-O 3.3Å; A76-Y86 WeakPolarHBondContact CA-O 3.42Å; R77-Y86 VanDerWaalsContact CZ-CD2 3.48Å; R77-Y86 PolarHBondContact N-O 3.07Å; R77-Y86 VanDerWaalsContact NH2-CD2 3.35Å; R77-Y86 VanDerWaalsContact NH2-CE2 3.26Å; S84-Y86 PolarHBondContact O-N 2.71Å
87W90.2Very high80.4Confident121 Ų12194.2 Ų94.246%0.45853%0.525SS..BIsolated β-bridgetrans-98.3141.5176.2-68.174.3000110V17 Y74 A76 P85V17-W87 HydrophobicContact CB-CH2 3.91Å; V17-W87 HydrophobicContact CB-CZ3 3.66Å; V17-W87 HydrophobicContact CG1-CH2 3.8Å; V17-W87 HydrophobicContact CG1-CZ3 3.79Å; V17-W87 HydrophobicContact CG2-CH2 3.67Å; V17-W87 HydrophobicContact CG2-CZ3 3.82Å; Y74-W87 HydrophobicContact CD1-CE3 4.4Å; Y74-W87 HydrophobicContact CD2-CZ3 4.39Å; Y74-W87 AromaticContact CG-CE3 3.97Å; Y74-W87 HydrophobicContact CG-CE3 3.97Å; Y74-W87 HydrophobicContact CG-CZ3 4.18Å; A76-W87 HydrophobicContact CB-CD2 3.95Å; A76-W87 HydrophobicContact CB-CE3 4.27Å; A76-W87 HydrophobicContact CB-CG 4.26Å; P85-W87 PolarHBondContact O-N 3.23Å
88G91.8Very high79.9Confident29 Ų2996.8 Ų96.830%0.29954%0.543SS..PPolyproline II helixtrans-67162.316200000111C75 G90C75-G88 PolarHBondContact O-N 3.34Å; G88-G90 PolarHBondContact O-N 3.3Å; G88-G90 VanDerWaalsContact O-N 3.09Å
89Q93.2Very high79.8Confident182 Ų182100.5 Ų100.585%0.8556%0.564SS**  trans-60.6-20.1176.9-64.8-62.6-39.300113.2
90G94.4Very high80.2Confident27 Ų2799.4 Ų99.428%0.27857%0.57SS.*  trans83.6165.8-176.900000112.6Y73 G88Y73-G90 CarbonylContact O-C 3.51Å; Y73-G90 WeakPolarHBondContact O-CA 3.4Å; G88-G90 PolarHBondContact O-N 3.3Å; G88-G90 VanDerWaalsContact O-N 3.09Å
91T96.3Very high81.7Confident87 Ų8795.4 Ų95.453%0.53457%0.565SS.*EExtended strand (participates in β ladder)trans-134.9134.4175.1-140.30000109.3M72 Y73 V93M72-T91 CarbonylContact C-O 3.55Å; M72-T91 WeakPolarHBondContact CA-O 3.31Å; Y73-T91 PolarHBondContact N-O 3.06Å; Y73-T91 PolarHBondContact O-N 3.36Å; T91-V93 HydrophobicContact CG2-CG2 3.94Å
92L96.3Very high83.6Confident105 Ų10587.3 Ų87.355%0.5555%0.546SS..EExtended strand (participates in β ladder)trans-77.6125.7173.8-17861.4000108.8M72M72-L92 HydrophobicContact CG-CD1 4.35Å; M72-L92 VanDerWaalsContact SD-CA 3.58Å; M72-L92 HydrophobicContact SD-CB 3.66Å; M72-L92 HydrophobicContact SD-CD1 4.2Å; M72-L92 PolarHBondContact SD-N 3.19Å
93V94.6Very high85.7Confident35 Ų3587.4 Ų87.421%0.21252%0.523CS..EExtended strand (participates in β ladder)trans-113.2122.9168.2-179.80000107.3T70 A71 Y73 T91 V95T70-V93 VanDerWaalsContact CA-O 3.32Å; T70-V93 WeakPolarHBondContact CA-O 3.46Å; A71-V93 PolarHBondContact N-O 2.96Å; A71-V93 VanDerWaalsContact N-O 3.1Å; A71-V93 PolarHBondContact O-N 2.6Å; Y73-V93 HydrophobicContact CD2-CB 3.78Å; Y73-V93 HydrophobicContact CD2-CG2 3.59Å; Y73-V93 HydrophobicContact CE2-CB 3.68Å; Y73-V93 HydrophobicContact CE2-CG1 4.45Å; Y73-V93 HydrophobicContact CE2-CG2 3.94Å; Y73-V93 HydrophobicContact CG-CG2 4.34Å; T91-V93 HydrophobicContact CG2-CG2 3.94Å; V93-V95 HydrophobicContact CG1-CG2 4.35Å
94T95.2Very high87.6Confident100 Ų10090.2 Ų90.261%0.61354%0.536SS*.  trans-112129.3177-54.90000109.1T70T70-T94 HydrophobicContact CG2-CG2 4.37Å
95V92.6Very high89.8Confident29 Ų2990.1 Ų90.118%0.17653%0.528CS..  trans-120.7114176.2-173.20000107.5L65 Q66 T70 V93L65-V95 HydrophobicContact CB-CG1 4.29Å; L65-V95 HydrophobicContact CB-CG2 4.06Å; L65-V95 HydrophobicContact CD1-CG2 4.24Å; Q66-V95 WeakPolarHBondContact O-CB 3.31Å; Q66-V95 WeakPolarHBondContact O-CG1 3.19Å; T70-V95 PolarHBondContact OG1-N 2.88Å; T70-V95 PolarHBondContact OG1-O 3.34Å; V93-V95 HydrophobicContact CG1-CG2 4.35Å
96S91.1Very high91.7Very high103 Ų10394.2 Ų94.272%0.7255%0.55SS*.  trans-102.6159.2174.658.40000110.8
97A81.7Confident92.5Very high157 Ų15788.6 Ų88.6100%1.29854%0.544SS*.  trans-72.20173.100000112.3T67T67-A97 HydrophobicContact CG2-CB 4.48Å

Retrieved 97 of 97 residues in 21 ms (Link to these results)

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