X5J573_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J573, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 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
1A61Low86.1Confident118 Ų11887.2 Ų87.298%0.97553%0.526SS*.  0153.8000000109.2A5 L75A1-A5 HydrophobicContact CB-CB 4.46Å; A1-L75 HydrophobicContact CB-CD1 3.63Å
2R69.8Low86.9Confident213 Ų21392.4 Ų92.480%0.80454%0.537SS*.  trans-72.1142.5169.8-63-175.7-167.1-1563108.7G4 A5R2-G4 PolarHBondContact O-N 3.27Å; R2-A5 WeakPolarHBondContact O-CB 3.34Å; R2-A5 PolarHBondContact O-N 3.02Å
3P72.6Confident87.4Confident119 Ų11986.2 Ų86.277%0.77350%0.502SS*.THydrogen-bonded Turntrans-53137.7174.3-25.634.4000111.2A5 L75P3-A5 VanDerWaalsContact C-N 3.27Å; P3-A5 PolarHBondContact O-N 3.3Å; P3-L75 CarbonylContact C-O 3.59Å; P3-L75 WeakPolarHBondContact CA-O 3.36Å
4G79.1Confident87.8Confident53 Ų5387.1 Ų87.155%0.54652%0.516SS..THydrogen-bonded Turntrans81.8-7.4-176.600000115.3R2 L75R2-G4 PolarHBondContact O-N 3.27Å; G4-L75 PolarHBondContact N-O 2.81Å
5A89.6Confident88Confident34 Ų3487.4 Ų87.428%0.28155%0.545SS..  trans-70161.4173.500000111.7A1 R2 P3 S74 L75A1-A5 HydrophobicContact CB-CB 4.46Å; R2-A5 WeakPolarHBondContact O-CB 3.34Å; R2-A5 PolarHBondContact O-N 3.02Å; P3-A5 VanDerWaalsContact C-N 3.27Å; P3-A5 PolarHBondContact O-N 3.3Å; A5-S74 PolarHBondContact O-N 2.92Å; A5-L75 WeakPolarHBondContact O-CB 3.45Å; A5-L75 WeakPolarHBondContact O-CD1 3.41Å; A5-L75 WeakPolarHBondContact O-CG 3.33Å; A5-L75 PolarHBondContact O-N 2.81Å
6S93.6Very high87.9Confident66 Ų6686.2 Ų86.246%0.46253%0.527SS..  trans-108.3152.1168.4-59.40000110.6L72 S73S6-L72 CarbonylContact C-O 3.43Å; S6-L72 WeakPolarHBondContact CA-O 3.26Å; S6-L72 WeakPolarHBondContact CB-O 3.18Å; S6-S73 WeakPolarHBondContact OG-CA 3.42Å; S6-S73 PolarHBondContact OG-OG 3.07Å
7V94.9Very high88.1Confident62 Ų6284.9 Ų84.938%0.37652%0.523SS..EExtended strand (participates in β ladder)trans-132.6141.2172.467.50000109.5M9 Q71 L72 L75V7-M9 HydrophobicContact CG1-CE 4.12Å; V7-Q71 CarbonylContact O-C 3.6Å; V7-Q71 WeakPolarHBondContact O-CA 3.42Å; V7-L72 HydrophobicContact CG1-CB 4.14Å; V7-L72 PolarHBondContact N-O 2.85Å; V7-L72 PolarHBondContact O-N 3.5Å; V7-L75 HydrophobicContact CB-CD1 4.05Å; V7-L75 HydrophobicContact CG1-CD1 3.78Å; V7-L75 HydrophobicContact CG1-CD2 4.31Å
8K96.7Very high88.5Confident122 Ų12280.5 Ų80.553%0.5350%0.495SS..EExtended strand (participates in β ladder)trans-114.5121.9174.4-170.4178.6-177.1-174.10109Y69 M70K8-Y69 HydrophobicContact CD-CD1 4.35Å; K8-Y69 VanDerWaalsContact CE-CD1 3.41Å; K8-Y69 HydrophobicContact CG-CD1 4.39Å; K8-M70 WeakPolarHBondContact CA-O 3.47Å
9M96.6Very high88.8Confident40 Ų4079 Ų7920%0.19749%0.486CS..EExtended strand (participates in β ladder)trans-102.8150.1174.5-67.6155.5-7600109.1V7 W25 Y69 M70 L72 Y83V7-M9 HydrophobicContact CG1-CE 4.12Å; M9-W25 HydrophobicContact CB-CH2 4.15Å; M9-W25 HydrophobicContact CB-CZ3 4.08Å; M9-Y69 VanDerWaalsContact O-CA 3.23Å; M9-Y69 WeakPolarHBondContact O-CA 3.46Å; M9-M70 HydrophobicContact CE-CB 4.34Å; M9-M70 HydrophobicContact CE-CE 3.22Å; M9-M70 HydrophobicContact CE-CG 4.04Å; M9-M70 HydrophobicContact CE-SD 4.38Å; M9-M70 PolarHBondContact N-O 2.78Å; M9-M70 PolarHBondContact O-N 3.22Å; M9-M70 HydrophobicContact SD-CE 3.75Å; M9-L72 HydrophobicContact CE-CD1 3.69Å; M9-L72 HydrophobicContact CE-CG 3.83Å; M9-Y83 HydrophobicContact SD-CD1 4.47Å; M9-Y83 HydrophobicContact SD-CD2 4.12Å; M9-Y83 HydrophobicContact SD-CG 3.91Å
10S97.3Very high89Confident83 Ų8377.7 Ų77.758%0.5848%0.48SS*.EExtended strand (participates in β ladder)trans-129.4140.9178.959.10000110.7A68 Y69S10-A68 CarbonylContact C-O 3.57Å; S10-A68 WeakPolarHBondContact CA-O 3.32Å; S10-Y69 VanDerWaalsContact CB-CE1 3.5Å
11D95.5Very high89.2Confident49 Ų4976.9 Ų76.926%0.26247%0.468SS..EExtended strand (participates in β ladder)trans-123.9117.7169.6-179.860.3000109M23 W25 T67 A68 C85D11-M23 WeakPolarHBondContact OD2-CE 3.33Å; D11-W25 HydrophobicContact CB-CH2 4.05Å; D11-W25 HydrophobicContact CB-CZ2 4.18Å; D11-T67 CarbonylContact O-C 3.5Å; D11-T67 VanDerWaalsContact O-CA 3.29Å; D11-T67 WeakPolarHBondContact O-CA 3.47Å; D11-T67 WeakPolarHBondContact O-CG2 3.13Å; D11-A68 PolarHBondContact N-O 3.46Å; D11-A68 PolarHBondContact O-N 2.93Å; D11-C85 HydrophobicContact CB-CB 3.71Å; D11-C85 PolarHBondContact OD2-SG 2.96Å
12K96.6Very high90.9Very high150 Ų15074.3 Ų74.365%0.65243%0.434SS*.EExtended strand (participates in β ladder)trans-100.4113.7-178.7-175.4175-177.51780109.4T67K12-T67 HydrophobicContact CB-CG2 4.47Å
13A93.4Very high92.1Very high11 Ų1164.2 Ų64.29%0.09140%0.395CS..  trans-66.414317800000111.5Y16 F18 S66A13-Y16 HydrophobicContact CB-CE1 4Å; A13-Y16 HydrophobicContact CB-CE2 3.74Å; A13-Y16 VanDerWaalsContact CB-OH 3.23Å; A13-Y16 WeakPolarHBondContact CB-OH 3.47Å; A13-F18 HydrophobicContact CB-CB 3.94Å; A13-F18 HydrophobicContact CB-CD2 3.46Å; A13-F18 VanDerWaalsContact CB-CD2 3.46Å; A13-F18 HydrophobicContact CB-CE2 4.28Å; A13-F18 HydrophobicContact CB-CG 4.02Å; A13-S66 WeakPolarHBondContact CB-O 3.17Å; A13-S66 PolarHBondContact N-O 3.24Å
14S92.8Very high93.3Very high99 Ų9960 Ų6069%0.69237%0.365SS*.  trans-148.9142.7172.662.50000110Y16S14-Y16 WeakPolarHBondContact O-CD1 3.38Å; S14-Y16 WeakPolarHBondContact O-CE1 3.49Å; S14-Y16 PolarHBondContact O-N 3.19Å
15G89.9Confident94.2Very high92 Ų9257.9 Ų57.995%0.94834%0.341SS*.SBendtrans80.87.2177.300000116.2
16Y87.2Confident94.6Very high68 Ų6857.3 Ų57.327%0.26733%0.334SS..SBendtrans-151.2164.7174.760.5-88.7000112.3A13 S14 F18 Y21 M23 I87A13-Y16 HydrophobicContact CB-CE1 4Å; A13-Y16 HydrophobicContact CB-CE2 3.74Å; A13-Y16 VanDerWaalsContact CB-OH 3.23Å; A13-Y16 WeakPolarHBondContact CB-OH 3.47Å; S14-Y16 WeakPolarHBondContact O-CD1 3.38Å; S14-Y16 WeakPolarHBondContact O-CE1 3.49Å; S14-Y16 PolarHBondContact O-N 3.19Å; Y16-F18 PolarHBondContact O-N 3.03Å; Y16-Y21 AromaticContact CD2-CD2 3.47Å; Y16-Y21 HydrophobicContact CD2-CD2 3.47Å; Y16-Y21 VanDerWaalsContact CD2-CD2 3.47Å; Y16-Y21 AromaticContact CD2-CE2 3.8Å; Y16-Y21 HydrophobicContact CD2-CE2 3.8Å; Y16-Y21 HydrophobicContact CD2-CG 4.21Å; Y16-Y21 HydrophobicContact CE2-CD2 4.09Å; Y16-Y21 HydrophobicContact CE2-CG 4.47Å; Y16-Y21 HydrophobicContact CG-CD2 4.34Å; Y16-Y21 HydrophobicContact CG-CE2 4.26Å; Y16-M23 HydrophobicContact CE2-SD 4.48Å; Y16-I87 HydrophobicContact CD1-CD1 4.18Å; Y16-I87 HydrophobicContact CD2-CD1 4.47Å; Y16-I87 HydrophobicContact CE1-CD1 3.98Å; Y16-I87 HydrophobicContact CE2-CD1 4.26Å; Y16-I87 HydrophobicContact CE2-CG2 4.11Å; Y16-I87 HydrophobicContact CG-CD1 4.42Å; Y16-I87 WeakPolarHBondContact OH-CG2 3.33Å
17S92Very high94.7Very high64 Ų6454.3 Ų54.345%0.44831%0.312SS..  trans-73.292.5175.3179.80000110.4T19 S20 Y21S17-T19 PolarHBondContact O-N 2.88Å; S17-S20 WeakPolarHBondContact O-CB 3.35Å; S17-S20 PolarHBondContact O-N 2.67Å; S17-S20 PolarHBondContact OG-OG 2.8Å; S17-Y21 WeakPolarHBondContact O-CD2 3.49Å
18F94.1Very high94.8Very high6 Ų654.9 Ų54.93%0.02631%0.311CS..G310 helixtrans-47.9-38.9-175.5175.5-116.1000114.1A13 Y16 S20 M23 P42 A61 A68A13-F18 HydrophobicContact CB-CB 3.94Å; A13-F18 HydrophobicContact CB-CD2 3.46Å; A13-F18 VanDerWaalsContact CB-CD2 3.46Å; A13-F18 HydrophobicContact CB-CE2 4.28Å; A13-F18 HydrophobicContact CB-CG 4.02Å; Y16-F18 PolarHBondContact O-N 3.03Å; F18-S20 PolarHBondContact O-N 2.83Å; F18-M23 HydrophobicContact CD2-CG 4.42Å; F18-M23 HydrophobicContact CD2-SD 3.89Å; F18-M23 HydrophobicContact CE2-CE 4.09Å; F18-M23 HydrophobicContact CE2-CG 3.74Å; F18-M23 HydrophobicContact CE2-SD 3.69Å; F18-M23 HydrophobicContact CZ-CG 4.41Å; F18-P42 HydrophobicContact CD1-CB 3.85Å; F18-P42 HydrophobicContact CD1-CG 4.12Å; F18-P42 HydrophobicContact CD2-CG 4.25Å; F18-P42 HydrophobicContact CE1-CB 3.46Å; F18-P42 VanDerWaalsContact CE1-CB 3.46Å; F18-P42 HydrophobicContact CE1-CG 3.71Å; F18-P42 HydrophobicContact CE2-CG 3.85Å; F18-P42 HydrophobicContact CG-CG 4.4Å; F18-P42 HydrophobicContact CZ-CB 3.85Å; F18-P42 HydrophobicContact CZ-CG 3.56Å; F18-A61 HydrophobicContact CE1-CB 4.09Å; F18-A61 HydrophobicContact CZ-CB 3.97Å; F18-A68 HydrophobicContact CE2-CB 4.04Å; F18-A68 HydrophobicContact CZ-CB 4.02Å
19T94.8Very high94.6Very high52 Ų5251.1 Ų51.132%0.31929%0.294SS..G310 helixtrans-72.3-6.8-178.952.50000114.5S17 S43 T63S17-T19 PolarHBondContact O-N 2.88Å; T19-S43 WeakPolarHBondContact O-CB 3.43Å; T19-T63 HydrophobicContact CG2-CG2 3.79Å
20S93.3Very high94.4Very high52 Ų5255 Ų5536%0.36432%0.321SS..G310 helixtrans-103.41.8-177-50.80000113.8S17 F18S17-S20 WeakPolarHBondContact O-CB 3.35Å; S17-S20 PolarHBondContact O-N 2.67Å; S17-S20 PolarHBondContact OG-OG 2.8Å; F18-S20 PolarHBondContact O-N 2.83Å
21Y93Very high94.1Very high61 Ų6155.5 Ų55.524%0.23934%0.34CS..SBendtrans-126.6147-174.8-65.6-89.5000112.4Y16 S17 P42 I87 T88 T89Y16-Y21 AromaticContact CD2-CD2 3.47Å; Y16-Y21 HydrophobicContact CD2-CD2 3.47Å; Y16-Y21 VanDerWaalsContact CD2-CD2 3.47Å; Y16-Y21 AromaticContact CD2-CE2 3.8Å; Y16-Y21 HydrophobicContact CD2-CE2 3.8Å; Y16-Y21 HydrophobicContact CD2-CG 4.21Å; Y16-Y21 HydrophobicContact CE2-CD2 4.09Å; Y16-Y21 HydrophobicContact CE2-CG 4.47Å; Y16-Y21 HydrophobicContact CG-CD2 4.34Å; Y16-Y21 HydrophobicContact CG-CE2 4.26Å; S17-Y21 WeakPolarHBondContact O-CD2 3.49Å; Y21-P42 WeakPolarHBondContact O-CD 3.5Å; Y21-I87 HydrophobicContact CD1-CD1 4.49Å; Y21-T88 WeakPolarHBondContact CD1-O 3.38Å; Y21-T89 HydrophobicContact CD1-CG2 4.44Å; Y21-T89 HydrophobicContact CE1-CG2 3.73Å
22W95.3Very high93.9Very high65 Ų6557.9 Ų57.925%0.24635%0.35CS..EExtended strand (participates in β ladder)trans-74.9123.7168.9-60.498.4000109.4H24 Y39 Y41 Y46 I87 T88W22-H24 WeakPolarHBondContact CB-NE2 3.41Å; W22-H24 PolarHBondContact O-CD2 2.95Å; W22-Y39 HydrophobicContact CD2-CD2 4.41Å; W22-Y39 HydrophobicContact CD2-CE2 4.49Å; W22-Y39 AromaticContact CE3-CD2 3.32Å; W22-Y39 HydrophobicContact CE3-CD2 3.32Å; W22-Y39 AromaticContact CE3-CE2 3.43Å; W22-Y39 HydrophobicContact CE3-CE2 3.43Å; W22-Y39 VanDerWaalsContact CE3-CE2 3.43Å; W22-Y39 HydrophobicContact CE3-CG 4.16Å; W22-Y39 HydrophobicContact CH2-CE2 4.19Å; W22-Y39 AromaticContact CZ3-CD2 3.56Å; W22-Y39 HydrophobicContact CZ3-CD2 3.56Å; W22-Y39 AromaticContact CZ3-CE2 3.2Å; W22-Y39 HydrophobicContact CZ3-CE2 3.2Å; W22-Y41 AromaticContact CD2-CD2 3.68Å; W22-Y41 HydrophobicContact CD2-CD2 3.68Å; W22-Y41 HydrophobicContact CD2-CE2 4.44Å; W22-Y41 HydrophobicContact CD2-CG 4.26Å; W22-Y41 AromaticContact CE2-CD2 3.77Å; W22-Y41 AromaticContact CE3-CD2 3.85Å; W22-Y41 HydrophobicContact CE3-CD2 3.85Å; W22-Y41 HydrophobicContact CE3-CG 4.02Å; W22-Y41 HydrophobicContact CG-CD2 4.19Å; W22-Y41 HydrophobicContact CH2-CD1 4.44Å; W22-Y41 HydrophobicContact CH2-CD2 4.24Å; W22-Y41 AromaticContact CH2-CG 3.92Å; W22-Y41 HydrophobicContact CH2-CG 3.92Å; W22-Y41 HydrophobicContact CZ2-CD2 4.05Å; W22-Y41 HydrophobicContact CZ2-CG 4.12Å; W22-Y41 HydrophobicContact CZ3-CD2 4.16Å; W22-Y41 AromaticContact CZ3-CG 3.89Å; W22-Y41 HydrophobicContact CZ3-CG 3.89Å; W22-Y46 AromaticContact CH2-CD1 3.89Å; W22-Y46 HydrophobicContact CH2-CD1 3.89Å; W22-Y46 AromaticContact CZ3-CD1 3.76Å; W22-Y46 HydrophobicContact CZ3-CD1 3.76Å; W22-Y46 HydrophobicContact CZ3-CE1 4.47Å; W22-I87 WeakPolarHBondContact O-CA 3.35Å; W22-T88 PolarHBondContact O-N 3.48Å
23M96.1Very high93.7Very high0 Ų053.4 Ų53.40%035%0.345CS..EExtended strand (participates in β ladder)trans-96.3101.1177.6-55-59.6-53.700108.9D11 Y16 F18 Y39 I40 P42 A68 I87D11-M23 WeakPolarHBondContact OD2-CE 3.33Å; Y16-M23 HydrophobicContact CE2-SD 4.48Å; F18-M23 HydrophobicContact CD2-CG 4.42Å; F18-M23 HydrophobicContact CD2-SD 3.89Å; F18-M23 HydrophobicContact CE2-CE 4.09Å; F18-M23 HydrophobicContact CE2-CG 3.74Å; F18-M23 HydrophobicContact CE2-SD 3.69Å; F18-M23 HydrophobicContact CZ-CG 4.41Å; M23-Y39 CarbonylContact O-C 3.59Å; M23-Y39 WeakPolarHBondContact O-CA 3.45Å; M23-Y39 WeakPolarHBondContact O-CB 3.21Å; M23-I40 HydrophobicContact CB-CG2 3.84Å; M23-I40 HydrophobicContact CG-CG2 4.46Å; M23-I40 PolarHBondContact N-O 2.95Å; M23-I40 PolarHBondContact O-N 2.75Å; M23-P42 HydrophobicContact CG-CG 3.76Å; M23-A68 HydrophobicContact CB-CB 4.12Å; M23-A68 HydrophobicContact CE-CB 4.28Å; M23-A68 HydrophobicContact CG-CB 4.11Å; M23-I87 HydrophobicContact CE-CG2 3.68Å; M23-I87 HydrophobicContact SD-CG2 3.54Å; M23-I87 VanDerWaalsContact SD-CG2 3.54Å
24H97.3Very high93.8Very high32 Ų3258.4 Ų58.415%0.14837%0.37CS..EExtended strand (participates in β ladder)trans-88.1143.2-179.8-64.8-102.2000111.2W22 W36 Y39 C85 A86 T88W22-H24 WeakPolarHBondContact CB-NE2 3.41Å; W22-H24 PolarHBondContact O-CD2 2.95Å; H24-W36 AromaticContact ND1-NE1 3.36Å; H24-W36 PolarHBondContact ND1-NE1 2.94Å; H24-Y39 AromaticContact CE1-CD1 3.63Å; H24-Y39 AromaticContact ND1-CD1 3.91Å; H24-C85 CarbonylContact O-C 3.53Å; H24-C85 VanDerWaalsContact O-CA 3.28Å; H24-C85 WeakPolarHBondContact O-CA 3.39Å; H24-C85 PolarHBondContact O-SG 3.48Å; H24-C85 VanDerWaalsContact O-SG 3.38Å; H24-A86 HydrophobicContact CB-CB 4.47Å; H24-A86 WeakPolarHBondContact CB-O 3.48Å; H24-A86 PolarHBondContact N-O 2.61Å; H24-A86 PolarHBondContact O-N 3.19Å; H24-T88 PolarHBondContact CD2-OG1 3.38Å; H24-T88 PolarHBondContact NE2-OG1 2.97Å
25W98.1Very high94Very high8 Ų855.4 Ų55.43%0.0335%0.345CS..EExtended strand (participates in β ladder)trans-115.8133.3171.9-69.488.6000110.5M9 D11 I37 G38 L59 A68 M70 F84 C85M9-W25 HydrophobicContact CB-CH2 4.15Å; M9-W25 HydrophobicContact CB-CZ3 4.08Å; D11-W25 HydrophobicContact CB-CH2 4.05Å; D11-W25 HydrophobicContact CB-CZ2 4.18Å; W25-I37 HydrophobicContact CB-CB 4.21Å; W25-I37 HydrophobicContact CB-CD1 4.31Å; W25-I37 WeakPolarHBondContact O-CB 3.02Å; W25-I37 PolarHBondContact O-N 3.04Å; W25-G38 PolarHBondContact N-O 3.32Å; W25-L59 HydrophobicContact CB-CD2 4.46Å; W25-L59 HydrophobicContact CG-CD2 3.99Å; W25-A68 HydrophobicContact CZ2-CB 4.37Å; W25-M70 HydrophobicContact CB-CE 4.4Å; W25-M70 HydrophobicContact CB-SD 3.78Å; W25-M70 HydrophobicContact CD2-CB 3.6Å; W25-M70 HydrophobicContact CD2-CE 4.1Å; W25-M70 HydrophobicContact CD2-CG 4.41Å; W25-M70 HydrophobicContact CD2-SD 4.03Å; W25-M70 HydrophobicContact CE3-CB 3.84Å; W25-M70 HydrophobicContact CE3-CE 3.5Å; W25-M70 HydrophobicContact CE3-SD 4.06Å; W25-M70 HydrophobicContact CG-CB 4.11Å; W25-M70 HydrophobicContact CG-CE 4.5Å; W25-M70 HydrophobicContact CG-SD 3.93Å; W25-M70 HydrophobicContact CH2-CB 4.14Å; W25-M70 HydrophobicContact CZ2-CB 3.92Å; W25-M70 HydrophobicContact CZ3-CB 4.1Å; W25-M70 HydrophobicContact CZ3-CE 4.11Å; W25-F84 WeakPolarHBondContact CA-O 3.28Å; W25-C85 HydrophobicContact CE3-CB 4.37Å; W25-C85 HydrophobicContact CH2-CB 4.34Å; W25-C85 HydrophobicContact CZ3-CB 4.26Å
26V97.4Very high94.3Very high22 Ų2254.9 Ų54.913%0.13332%0.315CS..EExtended strand (participates in β ladder)trans-134.9139.9-174.4-173.60000109.6L34 E35 Y83 F84V26-L34 HydrophobicContact CG1-CB 3.77Å; V26-L34 HydrophobicContact CG1-CD2 3.95Å; V26-L34 HydrophobicContact CG1-CG 4.3Å; V26-E35 WeakPolarHBondContact CA-O 3.37Å; V26-Y83 CarbonylContact O-C 3.56Å; V26-Y83 WeakPolarHBondContact O-CA 2.89Å; V26-F84 PolarHBondContact N-O 2.98Å; V26-F84 PolarHBondContact O-N 2.93Å
27K96.4Very high94.8Very high2 Ų251.7 Ų51.71%0.00930%0.302CS..EExtended strand (participates in β ladder)trans-106.8138.1175.1-176.6-179.4-176176.80110.1E35 I37 F53 E78 D79 A81 Y83K27-E35 HydrophobicContact CB-CB 4.39Å; K27-E35 PolarHBondContact N-O 3.48Å; K27-E35 PolarHBondContact O-N 3.24Å; K27-I37 HydrophobicContact CB-CD1 4.06Å; K27-I37 HydrophobicContact CB-CG1 4.22Å; K27-F53 HydrophobicContact CD-CE1 4.05Å; K27-F53 HydrophobicContact CD-CZ 4.05Å; K27-E78 WeakPolarHBondContact CE-O 3.44Å; K27-E78 PolarHBondContact NZ-O 2.86Å; K27-D79 IonicContact NZ-OD1 2.88Å; K27-D79 PolarHBondContact NZ-OD1 2.96Å; K27-A81 HydrophobicContact CD-CB 4.11Å; K27-A81 VanDerWaalsContact CE-CB 3.47Å; K27-A81 HydrophobicContact CG-CB 3.49Å; K27-A81 VanDerWaalsContact CG-CB 3.49Å; K27-Y83 HydrophobicContact CB-CD1 4.12Å; K27-Y83 HydrophobicContact CB-CE1 3.87Å; K27-Y83 HydrophobicContact CD-CE1 3.99Å; K27-Y83 WeakPolarHBondContact CE-OH 3.48Å; K27-Y83 HydrophobicContact CG-CD1 4.29Å; K27-Y83 HydrophobicContact CG-CE1 3.75Å
28Q96.3Very high95.1Very high74 Ų7448.6 Ų48.635%0.34628%0.281SS..EExtended strand (participates in β ladder)trans-128.8120.7172-167.9-179.23300110.6L34 A81 V82 F84Q28-L34 HydrophobicContact CB-CD2 3.76Å; Q28-L34 HydrophobicContact CG-CD2 3.85Å; Q28-A81 WeakPolarHBondContact O-CB 3.28Å; Q28-V82 PolarHBondContact N-O 3.38Å; Q28-V82 PolarHBondContact O-N 2.77Å; Q28-F84 HydrophobicContact CB-CD2 4.37Å; Q28-F84 HydrophobicContact CB-CE2 3.78Å
29R94.1Very high95.3Very high44 Ų4450.3 Ų50.317%0.16629%0.287CS..  trans-95.4148.1169-61.2-166.6-168.888.2-4.4110.4G31 Q32 E35 E78 A81R29-G31 PolarHBondContact O-N 3.12Å; R29-Q32 HydrophobicContact CB-CB 4.04Å; R29-Q32 HydrophobicContact CB-CG 4.07Å; R29-Q32 PolarHBondContact O-N 2.61Å; R29-E35 IonicContact CZ-OE1 2.67Å; R29-E35 IonicContact NH1-OE1 2.77Å; R29-E35 PolarHBondContact NH1-OE1 2.89Å; R29-E35 IonicContact NH2-OE1 3.32Å; R29-E78 VanDerWaalsContact CZ-O 3.28Å; R29-E78 PolarHBondContact NE-O 3.46Å; R29-E78 PolarHBondContact NH2-O 2.96Å; R29-A81 HydrophobicContact CG-CB 4.02Å
30P91.3Very high95.4Very high120 Ų12048 Ų4878%0.77927%0.273SS*.THydrogen-bonded Turntrans-53.5128.2171.6-24.734.1000111.1Q32P30-Q32 PolarHBondContact O-N 2.85Å
31G91.6Very high95.6Very high94 Ų9447.9 Ų47.997%0.96927%0.265SS*.THydrogen-bonded Turntrans73.64.4-179.200000115.7R29R29-G31 PolarHBondContact O-N 3.12Å
32Q91.1Very high95.7Very high100 Ų10045.1 Ų45.147%0.46725%0.254SS..SBendtrans-116.4159.7174-58.1-175.71.600111R29 P30R29-Q32 HydrophobicContact CB-CB 4.04Å; R29-Q32 HydrophobicContact CB-CG 4.07Å; R29-Q32 PolarHBondContact O-N 2.61Å; P30-Q32 PolarHBondContact O-N 2.85Å
33G92.3Very high95.7Very high55 Ų5545 Ų4557%0.56726%0.263SS*.  trans-67.6175.2172.500000113.1
34L95.1Very high95.8Very high116 Ų11649.2 Ų49.261%0.60729%0.289SS*.EExtended strand (participates in β ladder)trans-71.1128.2171.5-65.2176.4000110V26 Q28V26-L34 HydrophobicContact CG1-CB 3.77Å; V26-L34 HydrophobicContact CG1-CD2 3.95Å; V26-L34 HydrophobicContact CG1-CG 4.3Å; Q28-L34 HydrophobicContact CB-CD2 3.76Å; Q28-L34 HydrophobicContact CG-CD2 3.85Å
35E96.6Very high95.7Very high36 Ų3652.7 Ų52.717%0.16831%0.309CS..EExtended strand (participates in β ladder)trans-106.9113.6172.4-68.1-167.4-82.700109.6V26 K27 R29 I37 K52 F53V26-E35 WeakPolarHBondContact CA-O 3.37Å; K27-E35 HydrophobicContact CB-CB 4.39Å; K27-E35 PolarHBondContact N-O 3.48Å; K27-E35 PolarHBondContact O-N 3.24Å; R29-E35 IonicContact CZ-OE1 2.67Å; R29-E35 IonicContact NH1-OE1 2.77Å; R29-E35 PolarHBondContact NH1-OE1 2.89Å; R29-E35 IonicContact NH2-OE1 3.32Å; E35-I37 PolarHBondContact O-N 2.86Å; E35-K52 IonicContact OE2-NZ 3.94Å; E35-K52 PolarHBondContact OE2-NZ 3.07Å; E35-F53 HydrophobicContact CB-CE2 4.4Å; E35-F53 HydrophobicContact CB-CZ 4.38Å
36W97.3Very high95.7Very high82 Ų8257.5 Ų57.531%0.31133%0.328SS..EExtended strand (participates in β ladder)trans-69.8129.1174178.570.7000110.6H24 G38 Y39 E48 N50H24-W36 AromaticContact ND1-NE1 3.36Å; H24-W36 PolarHBondContact ND1-NE1 2.94Å; W36-G38 VanDerWaalsContact CE2-CA 3.47Å; W36-G38 PolarHBondContact NE1-O 3.22Å; W36-Y39 HydrophobicContact CH2-CD1 4.25Å; W36-Y39 HydrophobicContact CH2-CE1 4.37Å; W36-Y39 AromaticContact CZ2-CD1 3.41Å; W36-Y39 HydrophobicContact CZ2-CD1 3.41Å; W36-Y39 VanDerWaalsContact CZ2-CD1 3.41Å; W36-Y39 AromaticContact CZ2-CE1 3.95Å; W36-Y39 HydrophobicContact CZ2-CE1 3.95Å; W36-Y39 HydrophobicContact CZ2-CG 4.22Å; W36-E48 HydrophobicContact CH2-CB 4.35Å; W36-N50 HydrophobicContact CE3-CB 3.75Å; W36-N50 HydrophobicContact CZ3-CB 3.87Å; W36-N50 WeakPolarHBondContact O-CB 3.48Å; W36-N50 PolarHBondContact O-ND2 2.96Å
37I97.9Very high95.7Very high0 Ų058.6 Ų58.60%034%0.335CS..EExtended strand (participates in β ladder)trans-92.9-49-178.1-60.4174.3000110.4W25 K27 E35 Y49 N50 F53 A57 M70 Y83W25-I37 HydrophobicContact CB-CB 4.21Å; W25-I37 HydrophobicContact CB-CD1 4.31Å; W25-I37 WeakPolarHBondContact O-CB 3.02Å; W25-I37 PolarHBondContact O-N 3.04Å; K27-I37 HydrophobicContact CB-CD1 4.06Å; K27-I37 HydrophobicContact CB-CG1 4.22Å; E35-I37 PolarHBondContact O-N 2.86Å; I37-Y49 WeakPolarHBondContact O-CA 3.5Å; I37-N50 PolarHBondContact O-N 3.1Å; I37-F53 HydrophobicContact CB-CD2 4.31Å; I37-F53 HydrophobicContact CB-CG 4.27Å; I37-F53 HydrophobicContact CG1-CD1 4.19Å; I37-F53 HydrophobicContact CG1-CD2 4.25Å; I37-F53 HydrophobicContact CG1-CE1 4.1Å; I37-F53 HydrophobicContact CG1-CE2 4.15Å; I37-F53 HydrophobicContact CG1-CG 4.25Å; I37-F53 HydrophobicContact CG1-CZ 4.08Å; I37-F53 HydrophobicContact CG2-CB 3.8Å; I37-F53 HydrophobicContact CG2-CD1 4.14Å; I37-F53 HydrophobicContact CG2-CD2 4.36Å; I37-F53 HydrophobicContact CG2-CG 3.85Å; I37-A57 HydrophobicContact CG2-CB 3.74Å; I37-M70 HydrophobicContact CD1-CE 3.76Å; I37-M70 HydrophobicContact CD1-SD 3.51Å; I37-M70 VanDerWaalsContact CD1-SD 3.51Å; I37-M70 HydrophobicContact CG2-SD 4Å; I37-Y83 HydrophobicContact CD1-CD1 3.74Å; I37-Y83 HydrophobicContact CD1-CE1 3.75Å
38G97.8Very high95.7Very high0 Ų062.3 Ų62.30%035%0.352CS..EExtended strand (participates in β ladder)trans171.7178.1-169.900000112W25 W36 E48W25-G38 PolarHBondContact N-O 3.32Å; W36-G38 VanDerWaalsContact CE2-CA 3.47Å; W36-G38 PolarHBondContact NE1-O 3.22Å; G38-E48 CarbonylContact C-O 3.5Å; G38-E48 WeakPolarHBondContact CA-O 3.37Å
39Y97.7Very high95.8Very high42 Ų4261.4 Ų61.417%0.16535%0.346CS..EExtended strand (participates in β ladder)trans-140.6162.1167.463.2-113.2000111.4W22 M23 H24 W36 Y46 T47 E48W22-Y39 HydrophobicContact CD2-CD2 4.41Å; W22-Y39 HydrophobicContact CD2-CE2 4.49Å; W22-Y39 AromaticContact CE3-CD2 3.32Å; W22-Y39 HydrophobicContact CE3-CD2 3.32Å; W22-Y39 AromaticContact CE3-CE2 3.43Å; W22-Y39 HydrophobicContact CE3-CE2 3.43Å; W22-Y39 VanDerWaalsContact CE3-CE2 3.43Å; W22-Y39 HydrophobicContact CE3-CG 4.16Å; W22-Y39 HydrophobicContact CH2-CE2 4.19Å; W22-Y39 AromaticContact CZ3-CD2 3.56Å; W22-Y39 HydrophobicContact CZ3-CD2 3.56Å; W22-Y39 AromaticContact CZ3-CE2 3.2Å; W22-Y39 HydrophobicContact CZ3-CE2 3.2Å; M23-Y39 CarbonylContact O-C 3.59Å; M23-Y39 WeakPolarHBondContact O-CA 3.45Å; M23-Y39 WeakPolarHBondContact O-CB 3.21Å; H24-Y39 AromaticContact CE1-CD1 3.63Å; H24-Y39 AromaticContact ND1-CD1 3.91Å; W36-Y39 HydrophobicContact CH2-CD1 4.25Å; W36-Y39 HydrophobicContact CH2-CE1 4.37Å; W36-Y39 AromaticContact CZ2-CD1 3.41Å; W36-Y39 HydrophobicContact CZ2-CD1 3.41Å; W36-Y39 VanDerWaalsContact CZ2-CD1 3.41Å; W36-Y39 AromaticContact CZ2-CE1 3.95Å; W36-Y39 HydrophobicContact CZ2-CE1 3.95Å; W36-Y39 HydrophobicContact CZ2-CG 4.22Å; Y39-Y46 AromaticContact CE2-CD1 3.97Å; Y39-Y46 HydrophobicContact CE2-CD1 3.97Å; Y39-Y46 AromaticContact CE2-CE1 3.93Å; Y39-Y46 HydrophobicContact CE2-CE1 3.93Å; Y39-T47 VanDerWaalsContact O-CA 3.32Å; Y39-T47 WeakPolarHBondContact O-CA 3.49Å; Y39-E48 HydrophobicContact CD2-CB 4.49Å; Y39-E48 HydrophobicContact CE1-CB 3.91Å; Y39-E48 HydrophobicContact CE2-CB 3.9Å; Y39-E48 HydrophobicContact CE2-CG 4.16Å; Y39-E48 PolarHBondContact N-O 2.88Å; Y39-E48 PolarHBondContact O-N 3.29Å; Y39-E48 VanDerWaalsContact O-N 3.11Å; Y39-E48 WeakPolarHBondContact OH-CG 3.19Å
40I97.7Very high96Very high2 Ų261.4 Ų61.41%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-128.3140.1167.6-175.4166.1000110.5M23 Y46 T47 L59 A61M23-I40 HydrophobicContact CB-CG2 3.84Å; M23-I40 HydrophobicContact CG-CG2 4.46Å; M23-I40 PolarHBondContact N-O 2.95Å; M23-I40 PolarHBondContact O-N 2.75Å; I40-Y46 CarbonylContact C-O 3.53Å; I40-Y46 VanDerWaalsContact CA-O 3.32Å; I40-Y46 WeakPolarHBondContact CA-O 3.37Å; I40-T47 HydrophobicContact CB-CG2 3.83Å; I40-T47 HydrophobicContact CD1-CG2 3.81Å; I40-T47 HydrophobicContact CG1-CG2 3.69Å; I40-L59 HydrophobicContact CB-CB 4.23Å; I40-L59 HydrophobicContact CG2-CB 4.49Å; I40-A61 HydrophobicContact CD1-CB 3.9Å
41Y97Very high96.2Very high50 Ų5062.6 Ų62.620%0.19634%0.344CS..EExtended strand (participates in β ladder)trans-95.4110.5164.4-157-132.7000110W22 S43 T44 D45 Y46W22-Y41 AromaticContact CD2-CD2 3.68Å; W22-Y41 HydrophobicContact CD2-CD2 3.68Å; W22-Y41 HydrophobicContact CD2-CE2 4.44Å; W22-Y41 HydrophobicContact CD2-CG 4.26Å; W22-Y41 AromaticContact CE2-CD2 3.77Å; W22-Y41 AromaticContact CE3-CD2 3.85Å; W22-Y41 HydrophobicContact CE3-CD2 3.85Å; W22-Y41 HydrophobicContact CE3-CG 4.02Å; W22-Y41 HydrophobicContact CG-CD2 4.19Å; W22-Y41 HydrophobicContact CH2-CD1 4.44Å; W22-Y41 HydrophobicContact CH2-CD2 4.24Å; W22-Y41 AromaticContact CH2-CG 3.92Å; W22-Y41 HydrophobicContact CH2-CG 3.92Å; W22-Y41 HydrophobicContact CZ2-CD2 4.05Å; W22-Y41 HydrophobicContact CZ2-CG 4.12Å; W22-Y41 HydrophobicContact CZ3-CD2 4.16Å; W22-Y41 AromaticContact CZ3-CG 3.89Å; W22-Y41 HydrophobicContact CZ3-CG 3.89Å; Y41-S43 VanDerWaalsContact CD1-OG 3.24Å; Y41-S43 WeakPolarHBondContact CD1-OG 3.14Å; Y41-S43 WeakPolarHBondContact CE1-OG 2.96Å; Y41-S43 PolarHBondContact O-N 3.42Å; Y41-S43 VanDerWaalsContact O-N 3.15Å; Y41-T44 HydrophobicContact CD1-CG2 4.04Å; Y41-T44 WeakPolarHBondContact CD1-OG1 3.46Å; Y41-T44 HydrophobicContact CE1-CG2 4.41Å; Y41-T44 PolarHBondContact O-N 2.78Å; Y41-D45 WeakPolarHBondContact O-CA 3.37Å; Y41-D45 PolarHBondContact O-N 2.91Å; Y41-Y46 PolarHBondContact N-O 3.06Å
42P96.4Very high96.3Very high3 Ų365 Ų652%0.01933%0.328CS..THydrogen-bonded Turntrans-64.4-23.7-171.2-25.135.8000114.8F18 Y21 M23 A61 T63F18-P42 HydrophobicContact CD1-CB 3.85Å; F18-P42 HydrophobicContact CD1-CG 4.12Å; F18-P42 HydrophobicContact CD2-CG 4.25Å; F18-P42 HydrophobicContact CE1-CB 3.46Å; F18-P42 VanDerWaalsContact CE1-CB 3.46Å; F18-P42 HydrophobicContact CE1-CG 3.71Å; F18-P42 HydrophobicContact CE2-CG 3.85Å; F18-P42 HydrophobicContact CG-CG 4.4Å; F18-P42 HydrophobicContact CZ-CB 3.85Å; F18-P42 HydrophobicContact CZ-CG 3.56Å; Y21-P42 WeakPolarHBondContact O-CD 3.5Å; M23-P42 HydrophobicContact CG-CG 3.76Å; P42-A61 HydrophobicContact CB-CB 3.83Å; P42-A61 HydrophobicContact CG-CB 4.21Å; P42-T63 HydrophobicContact CB-CG2 4.27Å; P42-T63 WeakPolarHBondContact O-CG2 3.23Å
43S95.3Very high96.5Very high63 Ų6360.7 Ų60.744%0.44131%0.308SS..THydrogen-bonded Turntrans-79.3-21.3-178.774.30000114.4T19 Y41T19-S43 WeakPolarHBondContact O-CB 3.43Å; Y41-S43 VanDerWaalsContact CD1-OG 3.24Å; Y41-S43 WeakPolarHBondContact CD1-OG 3.14Å; Y41-S43 WeakPolarHBondContact CE1-OG 2.96Å; Y41-S43 PolarHBondContact O-N 3.42Å; Y41-S43 VanDerWaalsContact O-N 3.15Å
44T96.3Very high96.6Very high89 Ų8964.6 Ų64.655%0.54631%0.309SS..THydrogen-bonded Turntrans-122.7-1.5-177.762.30000113.2Y41 Y46Y41-T44 HydrophobicContact CD1-CG2 4.04Å; Y41-T44 WeakPolarHBondContact CD1-OG1 3.46Å; Y41-T44 HydrophobicContact CE1-CG2 4.41Å; Y41-T44 PolarHBondContact O-N 2.78Å; T44-Y46 PolarHBondContact O-N 3.4Å; T44-Y46 VanDerWaalsContact OG1-CB 3.28Å; T44-Y46 WeakPolarHBondContact OG1-CB 3.5Å; T44-Y46 PolarHBondContact OG1-N 2.91Å
45D96.3Very high96.5Very high105 Ų10562.9 Ų62.956%0.56132%0.319SS*.THydrogen-bonded Turntrans53.118.9-168.9-64.8-48.6000113.8Y41 T47Y41-D45 WeakPolarHBondContact O-CA 3.37Å; Y41-D45 PolarHBondContact O-N 2.91Å; D45-T47 PolarHBondContact O-N 3.44Å
46Y97.1Very high96.4Very high108 Ų10863.4 Ų63.442%0.42432%0.321SS..EExtended strand (participates in β ladder)trans-67.2126.6178.2-177.6-102.7000109.4W22 Y39 I40 Y41 T44 E48W22-Y46 AromaticContact CH2-CD1 3.89Å; W22-Y46 HydrophobicContact CH2-CD1 3.89Å; W22-Y46 AromaticContact CZ3-CD1 3.76Å; W22-Y46 HydrophobicContact CZ3-CD1 3.76Å; W22-Y46 HydrophobicContact CZ3-CE1 4.47Å; Y39-Y46 AromaticContact CE2-CD1 3.97Å; Y39-Y46 HydrophobicContact CE2-CD1 3.97Å; Y39-Y46 AromaticContact CE2-CE1 3.93Å; Y39-Y46 HydrophobicContact CE2-CE1 3.93Å; I40-Y46 CarbonylContact C-O 3.53Å; I40-Y46 VanDerWaalsContact CA-O 3.32Å; I40-Y46 WeakPolarHBondContact CA-O 3.37Å; Y41-Y46 PolarHBondContact N-O 3.06Å; T44-Y46 PolarHBondContact O-N 3.4Å; T44-Y46 VanDerWaalsContact OG1-CB 3.28Å; T44-Y46 WeakPolarHBondContact OG1-CB 3.5Å; T44-Y46 PolarHBondContact OG1-N 2.91Å; Y46-E48 HydrophobicContact CE1-CG 3.69Å; Y46-E48 PolarHBondContact OH-OE1 2.92Å
47T97.8Very high96.4Very high46 Ų4659.7 Ų59.728%0.28231%0.308SS..EExtended strand (participates in β ladder)trans-125.1140.3-178.451.30000111.1Y39 I40 D45 L59Y39-T47 VanDerWaalsContact O-CA 3.32Å; Y39-T47 WeakPolarHBondContact O-CA 3.49Å; I40-T47 HydrophobicContact CB-CG2 3.83Å; I40-T47 HydrophobicContact CD1-CG2 3.81Å; I40-T47 HydrophobicContact CG1-CG2 3.69Å; D45-T47 PolarHBondContact O-N 3.44Å; T47-L59 HydrophobicContact CG2-CB 4.11Å
48E97.3Very high96.5Very high80 Ų8062.9 Ų62.937%0.37433%0.327SS..EExtended strand (participates in β ladder)trans-128.1151.1164.7-76.5-148.1-157.500111.4W36 G38 Y39 Y46W36-E48 HydrophobicContact CH2-CB 4.35Å; G38-E48 CarbonylContact C-O 3.5Å; G38-E48 WeakPolarHBondContact CA-O 3.37Å; Y39-E48 HydrophobicContact CD2-CB 4.49Å; Y39-E48 HydrophobicContact CE1-CB 3.91Å; Y39-E48 HydrophobicContact CE2-CB 3.9Å; Y39-E48 HydrophobicContact CE2-CG 4.16Å; Y39-E48 PolarHBondContact N-O 2.88Å; Y39-E48 PolarHBondContact O-N 3.29Å; Y39-E48 VanDerWaalsContact O-N 3.11Å; Y39-E48 WeakPolarHBondContact OH-CG 3.19Å; Y46-E48 HydrophobicContact CE1-CG 3.69Å; Y46-E48 PolarHBondContact OH-OE1 2.92Å
49Y98.1Very high96.5Very high55 Ų5563.2 Ų63.222%0.21633%0.329CS..EExtended strand (participates in β ladder)trans-132.1142-174.3-61.5-94000109.8I37 A57 L59I37-Y49 WeakPolarHBondContact O-CA 3.5Å; Y49-A57 HydrophobicContact CD1-CB 4.43Å; Y49-A57 HydrophobicContact CE1-CB 4.31Å; Y49-A57 VanDerWaalsContact CE1-O 3.26Å; Y49-A57 WeakPolarHBondContact CE1-O 3.22Å; Y49-L59 HydrophobicContact CE1-CB 4.46Å; Y49-L59 HydrophobicContact CE1-CD1 4.14Å; Y49-L59 HydrophobicContact CE1-CG 3.72Å; Y49-L59 PolarHBondContact OH-N 2.81Å
50N97.1Very high96.5Very high44 Ų4464 Ų6424%0.23534%0.339CS..  trans-64136.2158.7-177.6-29.4000109W36 I37 K52 F53 K54W36-N50 HydrophobicContact CE3-CB 3.75Å; W36-N50 HydrophobicContact CZ3-CB 3.87Å; W36-N50 WeakPolarHBondContact O-CB 3.48Å; W36-N50 PolarHBondContact O-ND2 2.96Å; I37-N50 PolarHBondContact O-N 3.1Å; N50-K52 PolarHBondContact O-N 2.87Å; N50-K52 VanDerWaalsContact O-N 3.07Å; N50-K52 PolarHBondContact OD1-N 3.36Å; N50-K52 VanDerWaalsContact OD1-N 3.12Å; N50-F53 HydrophobicContact CB-CD2 4.05Å; N50-F53 PolarHBondContact O-N 3.36Å; N50-K54 PolarHBondContact O-N 3.02Å; N50-K54 VanDerWaalsContact O-N 3.14Å
51Q96.2Very high96.5Very high144 Ų14465 Ų6567%0.67335%0.347SS*.THydrogen-bonded Turntrans-52.6-34.2-178.1-66.1-64.4-14.600113.1F53 K54Q51-F53 PolarHBondContact O-N 2.89Å; Q51-K54 PolarHBondContact O-N 3.38Å
52K93.9Very high96.6Very high145 Ų14565.1 Ų65.163%0.6335%0.351SS*.THydrogen-bonded Turntrans-61.5-28.1177.2-65.7-171.6-173.5-178.80114E35 N50E35-K52 IonicContact OE2-NZ 3.94Å; E35-K52 PolarHBondContact OE2-NZ 3.07Å; N50-K52 PolarHBondContact O-N 2.87Å; N50-K52 VanDerWaalsContact O-N 3.07Å; N50-K52 PolarHBondContact OD1-N 3.36Å; N50-K52 VanDerWaalsContact OD1-N 3.12Å
53F95.5Very high96.6Very high9 Ų968.5 Ų68.54%0.03937%0.372CS..THydrogen-bonded Turntrans-108.5-5.1-174.8-62.3-84.4000112.7K27 E35 I37 N50 Q51 G55 K56 A57K27-F53 HydrophobicContact CD-CE1 4.05Å; K27-F53 HydrophobicContact CD-CZ 4.05Å; E35-F53 HydrophobicContact CB-CE2 4.4Å; E35-F53 HydrophobicContact CB-CZ 4.38Å; I37-F53 HydrophobicContact CB-CD2 4.31Å; I37-F53 HydrophobicContact CB-CG 4.27Å; I37-F53 HydrophobicContact CG1-CD1 4.19Å; I37-F53 HydrophobicContact CG1-CD2 4.25Å; I37-F53 HydrophobicContact CG1-CE1 4.1Å; I37-F53 HydrophobicContact CG1-CE2 4.15Å; I37-F53 HydrophobicContact CG1-CG 4.25Å; I37-F53 HydrophobicContact CG1-CZ 4.08Å; I37-F53 HydrophobicContact CG2-CB 3.8Å; I37-F53 HydrophobicContact CG2-CD1 4.14Å; I37-F53 HydrophobicContact CG2-CD2 4.36Å; I37-F53 HydrophobicContact CG2-CG 3.85Å; N50-F53 HydrophobicContact CB-CD2 4.05Å; N50-F53 PolarHBondContact O-N 3.36Å; Q51-F53 PolarHBondContact O-N 2.89Å; F53-G55 PolarHBondContact O-N 3.14Å; F53-K56 PolarHBondContact O-N 3.35Å; F53-A57 HydrophobicContact CB-CB 4.3Å; F53-A57 PolarHBondContact O-N 3.46Å
54K94.6Very high96.6Very high138 Ų13870.6 Ų70.660%0.639%0.386SS*.BIsolated β-bridgetrans-60.4125.1175.2-166.5171.5-175.8175.10109.6N50 Q51 K56N50-K54 PolarHBondContact O-N 3.02Å; N50-K54 VanDerWaalsContact O-N 3.14Å; Q51-K54 PolarHBondContact O-N 3.38Å; K54-K56 PolarHBondContact O-N 3.29Å
55G92.9Very high96.6Very high79 Ų7968.1 Ų68.181%0.81437%0.372SS*.THydrogen-bonded Turntrans81.8-11-175.200000115.1F53F53-G55 PolarHBondContact O-N 3.14Å
56K94.9Very high96.6Very high47 Ų4765.2 Ų65.220%0.20436%0.36CS..THydrogen-bonded Turntrans-99.2-40.4173.6-168.3170.4-165.6173.30112.5F53 K54 L72 S73 D79F53-K56 PolarHBondContact O-N 3.35Å; K54-K56 PolarHBondContact O-N 3.29Å; K56-L72 WeakPolarHBondContact O-CA 3.43Å; K56-S73 PolarHBondContact O-N 2.9Å; K56-D79 WeakPolarHBondContact CE-OD1 3.48Å; K56-D79 WeakPolarHBondContact CE-OD2 3.29Å; K56-D79 IonicContact NZ-OD1 2.61Å; K56-D79 PolarHBondContact NZ-OD1 3.15Å; K56-D79 IonicContact NZ-OD2 3.61Å; K56-D79 PolarHBondContact NZ-OD2 2.95Å
57A97.4Very high96.7Very high4 Ų460.5 Ų60.53%0.03334%0.343CS..EExtended strand (participates in β ladder)trans-102.2141.4177.200000111I37 Y49 F53 Q71 L72I37-A57 HydrophobicContact CG2-CB 3.74Å; Y49-A57 HydrophobicContact CD1-CB 4.43Å; Y49-A57 HydrophobicContact CE1-CB 4.31Å; Y49-A57 VanDerWaalsContact CE1-O 3.26Å; Y49-A57 WeakPolarHBondContact CE1-O 3.22Å; F53-A57 HydrophobicContact CB-CB 4.3Å; F53-A57 PolarHBondContact O-N 3.46Å; A57-Q71 CarbonylContact C-O 3.55Å; A57-Q71 WeakPolarHBondContact CA-O 3.44Å; A57-L72 HydrophobicContact CB-CD2 3.78Å
58T98.3Very high96.7Very high67 Ų6758.3 Ų58.341%0.41133%0.33SS..EExtended strand (participates in β ladder)trans-123.5122.9167.5-56.70000108.1T60 M70 Q71T58-T60 HydrophobicContact CG2-CG2 4.26Å; T58-M70 WeakPolarHBondContact O-CA 3.34Å; T58-Q71 PolarHBondContact N-O 3.38Å; T58-Q71 PolarHBondContact O-N 2.6Å
59L98.4Very high96.7Very high7 Ų757 Ų574%0.03732%0.321CS..EExtended strand (participates in β ladder)trans-102.4132.8177-53.4-176000109.7W25 I40 T47 Y49 Y69 M70W25-L59 HydrophobicContact CB-CD2 4.46Å; W25-L59 HydrophobicContact CG-CD2 3.99Å; I40-L59 HydrophobicContact CB-CB 4.23Å; I40-L59 HydrophobicContact CG2-CB 4.49Å; T47-L59 HydrophobicContact CG2-CB 4.11Å; Y49-L59 HydrophobicContact CE1-CB 4.46Å; Y49-L59 HydrophobicContact CE1-CD1 4.14Å; Y49-L59 HydrophobicContact CE1-CG 3.72Å; Y49-L59 PolarHBondContact OH-N 2.81Å; L59-Y69 WeakPolarHBondContact CA-O 3.32Å; L59-M70 HydrophobicContact CD2-CB 3.74Å; L59-M70 HydrophobicContact CD2-CG 3.7Å; L59-M70 HydrophobicContact CD2-SD 4.13Å
60T98.3Very high96.7Very high60 Ų6054.3 Ų54.337%0.36831%0.311SS..EExtended strand (participates in β ladder)trans-139161.2174.266.20000110.9T58 Y69T58-T60 HydrophobicContact CG2-CG2 4.26Å; T60-Y69 PolarHBondContact N-O 2.99Å; T60-Y69 PolarHBondContact O-N 3.16Å
61A97.9Very high96.8Very high21 Ų2155.9 Ų55.917%0.17432%0.317CS..EExtended strand (participates in β ladder)trans-132.8146.4175.300000110.3F18 I40 P42F18-A61 HydrophobicContact CE1-CB 4.09Å; F18-A61 HydrophobicContact CZ-CB 3.97Å; I40-A61 HydrophobicContact CD1-CB 3.9Å; P42-A61 HydrophobicContact CB-CB 3.83Å; P42-A61 HydrophobicContact CG-CB 4.21Å
62D97.6Very high96.8Very high53 Ų5349.1 Ų49.128%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-118105.8168.6174.16.3000108S64 S65 S66 T67 Y69D62-S64 VanDerWaalsContact C-N 3.29Å; D62-S64 PolarHBondContact O-N 3.01Å; D62-S64 WeakPolarHBondContact OD1-CB 3.21Å; D62-S64 PolarHBondContact OD1-N 3.01Å; D62-S64 PolarHBondContact OD1-OG 2.88Å; D62-S64 PolarHBondContact OD2-OG 2.83Å; D62-S65 WeakPolarHBondContact CB-OG 3.48Å; D62-S65 PolarHBondContact OD1-N 2.85Å; D62-S65 WeakPolarHBondContact OD2-CB 3.23Å; D62-S65 PolarHBondContact OD2-OG 3.48Å; D62-S66 WeakPolarHBondContact O-CA 3.48Å; D62-S66 PolarHBondContact O-N 3.03Å; D62-T67 PolarHBondContact N-O 3.02Å; D62-T67 PolarHBondContact O-N 3.11Å; D62-Y69 HydrophobicContact CB-CE2 3.99Å
63T96.3Very high96.8Very high75 Ų7543.7 Ų43.746%0.4627%0.265SS..THydrogen-bonded Turntrans-71.9-24.8-177.656.30000112.4T19 P42T19-T63 HydrophobicContact CG2-CG2 3.79Å; P42-T63 HydrophobicContact CB-CG2 4.27Å; P42-T63 WeakPolarHBondContact O-CG2 3.23Å
64S95.7Very high96.7Very high107 Ų10747.2 Ų47.275%0.74829%0.292SS*.THydrogen-bonded Turntrans-70.5-36.5178.375.90000112.1D62D62-S64 VanDerWaalsContact C-N 3.29Å; D62-S64 PolarHBondContact O-N 3.01Å; D62-S64 WeakPolarHBondContact OD1-CB 3.21Å; D62-S64 PolarHBondContact OD1-N 3.01Å; D62-S64 PolarHBondContact OD1-OG 2.88Å; D62-S64 PolarHBondContact OD2-OG 2.83Å
65S97Very high96.6Very high36 Ų3641.4 Ų41.425%0.25227%0.267SS..THydrogen-bonded Turntrans-100-0.5177.567.90000113.7D62 T67D62-S65 WeakPolarHBondContact CB-OG 3.48Å; D62-S65 PolarHBondContact OD1-N 2.85Å; D62-S65 WeakPolarHBondContact OD2-CB 3.23Å; D62-S65 PolarHBondContact OD2-OG 3.48Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 2.92Å; S65-T67 PolarHBondContact O-OG1 2.88Å; S65-T67 VanDerWaalsContact O-OG1 3.1Å; S65-T67 WeakPolarHBondContact OG-CB 3.47Å; S65-T67 PolarHBondContact OG-OG1 2.85Å
66S96.9Very high96.6Very high44 Ų4440.7 Ų40.731%0.30825%0.247SC..THydrogen-bonded Turntrans51.744.3-174-61.30000112.6A13 D62A13-S66 WeakPolarHBondContact CB-O 3.17Å; A13-S66 PolarHBondContact N-O 3.24Å; D62-S66 WeakPolarHBondContact O-CA 3.48Å; D62-S66 PolarHBondContact O-N 3.03Å
67T98.1Very high96.4Very high10 Ų1043.5 Ų43.56%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-122.7125.3-174.5-53.10000111.1D11 K12 D62 S65 Y69D11-T67 CarbonylContact O-C 3.5Å; D11-T67 VanDerWaalsContact O-CA 3.29Å; D11-T67 WeakPolarHBondContact O-CA 3.47Å; D11-T67 WeakPolarHBondContact O-CG2 3.13Å; K12-T67 HydrophobicContact CB-CG2 4.47Å; D62-T67 PolarHBondContact N-O 3.02Å; D62-T67 PolarHBondContact O-N 3.11Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 2.92Å; S65-T67 PolarHBondContact O-OG1 2.88Å; S65-T67 VanDerWaalsContact O-OG1 3.1Å; S65-T67 WeakPolarHBondContact OG-CB 3.47Å; S65-T67 PolarHBondContact OG-OG1 2.85Å; T67-Y69 HydrophobicContact CG2-CD1 4.32Å; T67-Y69 HydrophobicContact CG2-CD2 4.39Å; T67-Y69 HydrophobicContact CG2-CE1 3.69Å; T67-Y69 HydrophobicContact CG2-CE2 3.75Å; T67-Y69 WeakPolarHBondContact CG2-OH 3.33Å; T67-Y69 WeakPolarHBondContact O-CE2 3.34Å
68A98Very high96Very high0 Ų049.5 Ų49.50%030%0.3CS..EExtended strand (participates in β ladder)trans-91.6149.216900000110.2S10 D11 F18 M23 W25S10-A68 CarbonylContact C-O 3.57Å; S10-A68 WeakPolarHBondContact CA-O 3.32Å; D11-A68 PolarHBondContact N-O 3.46Å; D11-A68 PolarHBondContact O-N 2.93Å; F18-A68 HydrophobicContact CE2-CB 4.04Å; F18-A68 HydrophobicContact CZ-CB 4.02Å; M23-A68 HydrophobicContact CB-CB 4.12Å; M23-A68 HydrophobicContact CE-CB 4.28Å; M23-A68 HydrophobicContact CG-CB 4.11Å; W25-A68 HydrophobicContact CZ2-CB 4.37Å
69Y98.4Very high95.7Very high51 Ų5146.8 Ų46.820%0.228%0.283CS..EExtended strand (participates in β ladder)trans-132.2145.2179.2-57.4-87.2000111.3K8 M9 S10 L59 T60 D62 T67K8-Y69 HydrophobicContact CD-CD1 4.35Å; K8-Y69 VanDerWaalsContact CE-CD1 3.41Å; K8-Y69 HydrophobicContact CG-CD1 4.39Å; M9-Y69 VanDerWaalsContact O-CA 3.23Å; M9-Y69 WeakPolarHBondContact O-CA 3.46Å; S10-Y69 VanDerWaalsContact CB-CE1 3.5Å; L59-Y69 WeakPolarHBondContact CA-O 3.32Å; T60-Y69 PolarHBondContact N-O 2.99Å; T60-Y69 PolarHBondContact O-N 3.16Å; D62-Y69 HydrophobicContact CB-CE2 3.99Å; T67-Y69 HydrophobicContact CG2-CD1 4.32Å; T67-Y69 HydrophobicContact CG2-CD2 4.39Å; T67-Y69 HydrophobicContact CG2-CE1 3.69Å; T67-Y69 HydrophobicContact CG2-CE2 3.75Å; T67-Y69 WeakPolarHBondContact CG2-OH 3.33Å; T67-Y69 WeakPolarHBondContact O-CE2 3.34Å
70M98.2Very high95.4Very high0 Ų051.1 Ų51.10%031%0.314CS..EExtended strand (participates in β ladder)trans-124.3121.9165.9174.7171.868.800109.1K8 M9 W25 I37 T58 L59 L72 Y83K8-M70 WeakPolarHBondContact CA-O 3.47Å; M9-M70 HydrophobicContact CE-CB 4.34Å; M9-M70 HydrophobicContact CE-CE 3.22Å; M9-M70 HydrophobicContact CE-CG 4.04Å; M9-M70 HydrophobicContact CE-SD 4.38Å; M9-M70 PolarHBondContact N-O 2.78Å; M9-M70 PolarHBondContact O-N 3.22Å; M9-M70 HydrophobicContact SD-CE 3.75Å; W25-M70 HydrophobicContact CB-CE 4.4Å; W25-M70 HydrophobicContact CB-SD 3.78Å; W25-M70 HydrophobicContact CD2-CB 3.6Å; W25-M70 HydrophobicContact CD2-CE 4.1Å; W25-M70 HydrophobicContact CD2-CG 4.41Å; W25-M70 HydrophobicContact CD2-SD 4.03Å; W25-M70 HydrophobicContact CE3-CB 3.84Å; W25-M70 HydrophobicContact CE3-CE 3.5Å; W25-M70 HydrophobicContact CE3-SD 4.06Å; W25-M70 HydrophobicContact CG-CB 4.11Å; W25-M70 HydrophobicContact CG-CE 4.5Å; W25-M70 HydrophobicContact CG-SD 3.93Å; W25-M70 HydrophobicContact CH2-CB 4.14Å; W25-M70 HydrophobicContact CZ2-CB 3.92Å; W25-M70 HydrophobicContact CZ3-CB 4.1Å; W25-M70 HydrophobicContact CZ3-CE 4.11Å; I37-M70 HydrophobicContact CD1-CE 3.76Å; I37-M70 HydrophobicContact CD1-SD 3.51Å; I37-M70 VanDerWaalsContact CD1-SD 3.51Å; I37-M70 HydrophobicContact CG2-SD 4Å; T58-M70 WeakPolarHBondContact O-CA 3.34Å; L59-M70 HydrophobicContact CD2-CB 3.74Å; L59-M70 HydrophobicContact CD2-CG 3.7Å; L59-M70 HydrophobicContact CD2-SD 4.13Å; M70-L72 HydrophobicContact CE-CD1 4.42Å; M70-L72 HydrophobicContact CG-CD2 4.49Å; M70-L72 HydrophobicContact CG-CG 4.4Å; M70-L72 HydrophobicContact SD-CD2 4.33Å; M70-Y83 HydrophobicContact CE-CD1 3.41Å; M70-Y83 VanDerWaalsContact CE-CD1 3.41Å; M70-Y83 HydrophobicContact CE-CE1 4Å; M70-Y83 HydrophobicContact CE-CG 4.05Å
71Q97.9Very high95.2Very high77 Ų7749.6 Ų49.636%0.3631%0.307SS..EExtended strand (participates in β ladder)trans-102.2124.4169.3-176.4172.4-4.700109.5V7 A57 T58V7-Q71 CarbonylContact O-C 3.6Å; V7-Q71 WeakPolarHBondContact O-CA 3.42Å; A57-Q71 CarbonylContact C-O 3.55Å; A57-Q71 WeakPolarHBondContact CA-O 3.44Å; T58-Q71 PolarHBondContact N-O 3.38Å; T58-Q71 PolarHBondContact O-N 2.6Å
72L96.7Very high95.2Very high1 Ų152.4 Ų52.41%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-103.4131.4169-67174.8000108.9S6 V7 M9 K56 A57 M70 L75 Y83S6-L72 CarbonylContact C-O 3.43Å; S6-L72 WeakPolarHBondContact CA-O 3.26Å; S6-L72 WeakPolarHBondContact CB-O 3.18Å; V7-L72 HydrophobicContact CG1-CB 4.14Å; V7-L72 PolarHBondContact N-O 2.85Å; V7-L72 PolarHBondContact O-N 3.5Å; M9-L72 HydrophobicContact CE-CD1 3.69Å; M9-L72 HydrophobicContact CE-CG 3.83Å; K56-L72 WeakPolarHBondContact O-CA 3.43Å; A57-L72 HydrophobicContact CB-CD2 3.78Å; M70-L72 HydrophobicContact CE-CD1 4.42Å; M70-L72 HydrophobicContact CG-CD2 4.49Å; M70-L72 HydrophobicContact CG-CG 4.4Å; M70-L72 HydrophobicContact SD-CD2 4.33Å; L72-L75 HydrophobicContact CB-CD2 3.73Å; L72-L75 HydrophobicContact CD1-CD2 4.23Å; L72-Y83 HydrophobicContact CD1-CD1 4.45Å; L72-Y83 HydrophobicContact CD1-CE1 3.61Å; L72-Y83 HydrophobicContact CD1-CE2 4.3Å; L72-Y83 WeakPolarHBondContact CD1-OH 3.44Å
73S94.6Very high95.1Very high31 Ų3152.1 Ų52.122%0.21732%0.317CS..  trans-113.5159.3178.4-66.40000111.6S6 K56 L75S6-S73 WeakPolarHBondContact OG-CA 3.42Å; S6-S73 PolarHBondContact OG-OG 3.07Å; K56-S73 PolarHBondContact O-N 2.9Å; S73-L75 VanDerWaalsContact C-N 3.33Å; S73-L75 PolarHBondContact O-N 3.06Å
74S92.9Very high95.1Very high84 Ų8452.7 Ų52.759%0.58731%0.313SS*.SBendtrans53.848.6177.2-55.80000112.6A5A5-S74 PolarHBondContact O-N 2.92Å
75L93.1Very high95.1Very high15 Ų1549.3 Ų49.38%0.07929%0.289CS..  trans-59.7138.2-174.7-69170.8000112A1 P3 G4 A5 V7 L72 S73 D79A1-L75 HydrophobicContact CB-CD1 3.63Å; P3-L75 CarbonylContact C-O 3.59Å; P3-L75 WeakPolarHBondContact CA-O 3.36Å; G4-L75 PolarHBondContact N-O 2.81Å; A5-L75 WeakPolarHBondContact O-CB 3.45Å; A5-L75 WeakPolarHBondContact O-CD1 3.41Å; A5-L75 WeakPolarHBondContact O-CG 3.33Å; A5-L75 PolarHBondContact O-N 2.81Å; V7-L75 HydrophobicContact CB-CD1 4.05Å; V7-L75 HydrophobicContact CG1-CD1 3.78Å; V7-L75 HydrophobicContact CG1-CD2 4.31Å; L72-L75 HydrophobicContact CB-CD2 3.73Å; L72-L75 HydrophobicContact CD1-CD2 4.23Å; S73-L75 VanDerWaalsContact C-N 3.33Å; S73-L75 PolarHBondContact O-N 3.06Å; L75-D79 WeakPolarHBondContact CA-OD2 3.07Å; L75-D79 HydrophobicContact CD2-CB 3.68Å
76T92Very high95Very high65 Ų6549.9 Ų49.940%0.39930%0.296SS..  trans-118.4173.5172.469.50000110.4E78 D79T76-E78 PolarHBondContact O-N 3Å; T76-E78 PolarHBondContact OG1-N 2.77Å; T76-D79 PolarHBondContact N-OD2 3.37Å; T76-D79 WeakPolarHBondContact O-CB 3.49Å; T76-D79 PolarHBondContact O-N 3.27Å; T76-D79 PolarHBondContact OG1-OD2 3.31Å
77S90.1Very high94.8Very high106 Ų10651.2 Ų51.274%0.74130%0.299SS*.G310 helixtrans-57.9-29.6174.8500000112.6D79 S80S77-D79 PolarHBondContact O-N 2.81Å; S77-S80 WeakPolarHBondContact O-CB 3.37Å; S77-S80 PolarHBondContact O-N 3.22Å
78E88.9Confident94.2Very high129 Ų12953.9 Ų53.960%0.60332%0.315SS*.G310 helixtrans-68.3-14.3177.3-60.7-176.7174.600113.4K27 R29 T76 S80K27-E78 WeakPolarHBondContact CE-O 3.44Å; K27-E78 PolarHBondContact NZ-O 2.86Å; R29-E78 VanDerWaalsContact CZ-O 3.28Å; R29-E78 PolarHBondContact NE-O 3.46Å; R29-E78 PolarHBondContact NH2-O 2.96Å; T76-E78 PolarHBondContact O-N 3Å; T76-E78 PolarHBondContact OG1-N 2.77Å; E78-S80 VanDerWaalsContact C-N 3.32Å
79D92.1Very high92.7Very high11 Ų1157.8 Ų57.86%0.05934%0.339CS..G310 helixtrans-86.2-3.7175.8-58.2-48.4000113.6K27 K56 L75 T76 S77 A81 Y83K27-D79 IonicContact NZ-OD1 2.88Å; K27-D79 PolarHBondContact NZ-OD1 2.96Å; K56-D79 WeakPolarHBondContact CE-OD1 3.48Å; K56-D79 WeakPolarHBondContact CE-OD2 3.29Å; K56-D79 IonicContact NZ-OD1 2.61Å; K56-D79 PolarHBondContact NZ-OD1 3.15Å; K56-D79 IonicContact NZ-OD2 3.61Å; K56-D79 PolarHBondContact NZ-OD2 2.95Å; L75-D79 WeakPolarHBondContact CA-OD2 3.07Å; L75-D79 HydrophobicContact CD2-CB 3.68Å; T76-D79 PolarHBondContact N-OD2 3.37Å; T76-D79 WeakPolarHBondContact O-CB 3.49Å; T76-D79 PolarHBondContact O-N 3.27Å; T76-D79 PolarHBondContact OG1-OD2 3.31Å; S77-D79 PolarHBondContact O-N 2.81Å; D79-A81 PolarHBondContact O-N 3.03Å; D79-Y83 WeakPolarHBondContact O-CE2 3.24Å; D79-Y83 PolarHBondContact O-OH 3.1Å
80S92.7Very high90.7Very high98 Ų9860.3 Ų60.369%0.68536%0.36SS*.  trans-69.1104.1171.8-165.60000110S77 E78S77-S80 WeakPolarHBondContact O-CB 3.37Å; S77-S80 PolarHBondContact O-N 3.22Å; E78-S80 VanDerWaalsContact C-N 3.32Å
81A94.8Very high88.2Confident27 Ų2769.8 Ų69.822%0.22342%0.417CS..SBendtrans-159.8168-173.200000110.4K27 Q28 R29 D79 Y83K27-A81 HydrophobicContact CD-CB 4.11Å; K27-A81 VanDerWaalsContact CE-CB 3.47Å; K27-A81 HydrophobicContact CG-CB 3.49Å; K27-A81 VanDerWaalsContact CG-CB 3.49Å; Q28-A81 WeakPolarHBondContact O-CB 3.28Å; R29-A81 HydrophobicContact CG-CB 4.02Å; D79-A81 PolarHBondContact O-N 3.03Å; A81-Y83 HydrophobicContact CB-CD2 4.45Å; A81-Y83 HydrophobicContact CB-CE2 3.89Å; A81-Y83 WeakPolarHBondContact O-CD2 3.41Å
82V96.3Very high87.7Confident80 Ų8069.5 Ų69.549%0.48542%0.42SS..EExtended strand (participates in β ladder)trans-86.2137.7163.2-174.40000108.1Q28 F84Q28-V82 PolarHBondContact N-O 3.38Å; Q28-V82 PolarHBondContact O-N 2.77Å; V82-F84 HydrophobicContact CB-CE2 4Å; V82-F84 HydrophobicContact CB-CZ 4.16Å; V82-F84 HydrophobicContact CG1-CD2 4.29Å; V82-F84 HydrophobicContact CG1-CE1 3.91Å; V82-F84 HydrophobicContact CG1-CE2 3.59Å; V82-F84 HydrophobicContact CG1-CZ 3.38Å
83Y97.1Very high87.2Confident47 Ų4773.1 Ų73.118%0.18444%0.442CS..EExtended strand (participates in β ladder)trans-117133.3179.2-69.2-91.6000109.3M9 V26 K27 I37 M70 L72 D79 A81M9-Y83 HydrophobicContact SD-CD1 4.47Å; M9-Y83 HydrophobicContact SD-CD2 4.12Å; M9-Y83 HydrophobicContact SD-CG 3.91Å; V26-Y83 CarbonylContact O-C 3.56Å; V26-Y83 WeakPolarHBondContact O-CA 2.89Å; K27-Y83 HydrophobicContact CB-CD1 4.12Å; K27-Y83 HydrophobicContact CB-CE1 3.87Å; K27-Y83 HydrophobicContact CD-CE1 3.99Å; K27-Y83 WeakPolarHBondContact CE-OH 3.48Å; K27-Y83 HydrophobicContact CG-CD1 4.29Å; K27-Y83 HydrophobicContact CG-CE1 3.75Å; I37-Y83 HydrophobicContact CD1-CD1 3.74Å; I37-Y83 HydrophobicContact CD1-CE1 3.75Å; M70-Y83 HydrophobicContact CE-CD1 3.41Å; M70-Y83 VanDerWaalsContact CE-CD1 3.41Å; M70-Y83 HydrophobicContact CE-CE1 4Å; M70-Y83 HydrophobicContact CE-CG 4.05Å; L72-Y83 HydrophobicContact CD1-CD1 4.45Å; L72-Y83 HydrophobicContact CD1-CE1 3.61Å; L72-Y83 HydrophobicContact CD1-CE2 4.3Å; L72-Y83 WeakPolarHBondContact CD1-OH 3.44Å; D79-Y83 WeakPolarHBondContact O-CE2 3.24Å; D79-Y83 PolarHBondContact O-OH 3.1Å; A81-Y83 HydrophobicContact CB-CD2 4.45Å; A81-Y83 HydrophobicContact CB-CE2 3.89Å; A81-Y83 WeakPolarHBondContact O-CD2 3.41Å
84F96.5Very high86.8Confident88 Ų8875.4 Ų75.439%0.38646%0.455SS..EExtended strand (participates in β ladder)trans-119.1144.3-179-60.2-82.9000110.1W25 V26 Q28 V82W25-F84 WeakPolarHBondContact CA-O 3.28Å; V26-F84 PolarHBondContact N-O 2.98Å; V26-F84 PolarHBondContact O-N 2.93Å; Q28-F84 HydrophobicContact CB-CD2 4.37Å; Q28-F84 HydrophobicContact CB-CE2 3.78Å; V82-F84 HydrophobicContact CB-CE2 4Å; V82-F84 HydrophobicContact CB-CZ 4.16Å; V82-F84 HydrophobicContact CG1-CD2 4.29Å; V82-F84 HydrophobicContact CG1-CE1 3.91Å; V82-F84 HydrophobicContact CG1-CE2 3.59Å; V82-F84 HydrophobicContact CG1-CZ 3.38Å
85C95.6Very high86.4Confident36 Ų3674.9 Ų74.924%0.24345%0.447CS..EExtended strand (participates in β ladder)trans-102.7140.1160.9-163.80000109D11 H24 W25D11-C85 HydrophobicContact CB-CB 3.71Å; D11-C85 PolarHBondContact OD2-SG 2.96Å; H24-C85 CarbonylContact O-C 3.53Å; H24-C85 VanDerWaalsContact O-CA 3.28Å; H24-C85 WeakPolarHBondContact O-CA 3.39Å; H24-C85 PolarHBondContact O-SG 3.48Å; H24-C85 VanDerWaalsContact O-SG 3.38Å; W25-C85 HydrophobicContact CE3-CB 4.37Å; W25-C85 HydrophobicContact CH2-CB 4.34Å; W25-C85 HydrophobicContact CZ3-CB 4.26Å
86A94.1Very high86Confident47 Ų4778.6 Ų78.639%0.38847%0.47SS..EExtended strand (participates in β ladder)trans-138.5150.3177.300000109.8H24H24-A86 HydrophobicContact CB-CB 4.47Å; H24-A86 WeakPolarHBondContact CB-O 3.48Å; H24-A86 PolarHBondContact N-O 2.61Å; H24-A86 PolarHBondContact O-N 3.19Å
87I92.5Very high85.6Confident73 Ų7379.5 Ų79.537%0.37447%0.474SS..EExtended strand (participates in β ladder)trans-108.1142.6174.960.6173.3000110.5Y16 Y21 W22 M23Y16-I87 HydrophobicContact CD1-CD1 4.18Å; Y16-I87 HydrophobicContact CD2-CD1 4.47Å; Y16-I87 HydrophobicContact CE1-CD1 3.98Å; Y16-I87 HydrophobicContact CE2-CD1 4.26Å; Y16-I87 HydrophobicContact CE2-CG2 4.11Å; Y16-I87 HydrophobicContact CG-CD1 4.42Å; Y16-I87 WeakPolarHBondContact OH-CG2 3.33Å; Y21-I87 HydrophobicContact CD1-CD1 4.49Å; W22-I87 WeakPolarHBondContact O-CA 3.35Å; M23-I87 HydrophobicContact CE-CG2 3.68Å; M23-I87 HydrophobicContact SD-CG2 3.54Å; M23-I87 VanDerWaalsContact SD-CG2 3.54Å
88T85.6Confident85.3Confident65 Ų6577.6 Ų77.640%0.39946%0.455SS..EExtended strand (participates in β ladder)trans-110.8125.4169.9-57.40000109.4Y21 W22 H24Y21-T88 WeakPolarHBondContact CD1-O 3.38Å; W22-T88 PolarHBondContact O-N 3.48Å; H24-T88 PolarHBondContact CD2-OG1 3.38Å; H24-T88 PolarHBondContact NE2-OG1 2.97Å
89T66.9Low85Confident83 Ų8373.7 Ų73.751%0.50944%0.444SS..  trans-70.5127.1167.747.50000109.1Y21 V91Y21-T89 HydrophobicContact CD1-CG2 4.44Å; Y21-T89 HydrophobicContact CE1-CG2 3.73Å; T89-V91 PolarHBondContact O-N 2.62Å; T89-V91 VanDerWaalsContact O-N 3.1Å
90V56.6Low84.4Confident103 Ų10378.9 Ų78.962%0.62448%0.476SS*.  trans-68.3107.6162.2-167.70000105.9
91V44.7Very low83.7Confident200 Ų20077.2 Ų77.2100%1.21246%0.457SS*.  trans-81.60169.6-105.70000109.9T89T89-V91 PolarHBondContact O-N 2.62Å; T89-V91 VanDerWaalsContact O-N 3.1Å

Retrieved 91 of 91 residues in 58 ms (Link to these results)

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