X5J5I3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5I3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 98 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
1S96.6Very high93.2Very high106 Ų10667.5 Ų67.574%0.74143%0.426SS*.  0162.7053.40000109.3A59 Y60S1-A59 CarbonylContact C-O 3.45Å; S1-A59 WeakPolarHBondContact CA-O 3.35Å; S1-Y60 VanDerWaalsContact CB-CD1 3.42Å; S1-Y60 VanDerWaalsContact CB-CE1 3.47Å
2C97.1Very high93Very high18 Ų1865.7 Ų65.712%0.12241%0.405CS..EExtended strand (participates in β ladder)trans-145.4118.2177-179.60000109.5M14 W16 T58 A59 C76C2-M14 HydrophobicContact CB-CE 4.49Å; C2-M14 HydrophobicContact CB-SD 4.49Å; C2-W16 HydrophobicContact CB-CH2 3.59Å; C2-W16 HydrophobicContact CB-CZ2 3.98Å; C2-W16 HydrophobicContact CB-CZ3 4.36Å; C2-T58 WeakPolarHBondContact O-CA 3.42Å; C2-A59 PolarHBondContact N-O 2.83Å; C2-A59 PolarHBondContact O-N 3.11Å; C2-C76 HydrophobicContact CB-CB 3.4Å; C2-C76 WeakPolarHBondContact CB-SG 3.4Å; C2-C76 WeakPolarHBondContact SG-CB 3.36Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 3.38Å
3K96.5Very high93.1Very high149 Ų14961.7 Ų61.765%0.64838%0.383SS*.EExtended strand (participates in β ladder)trans-99.4126.3-177-176.4173.4-179.3177.10110.4S56 S57 T58K3-S56 WeakPolarHBondContact CE-O 3.38Å; K3-S57 WeakPolarHBondContact CA-O 3.42Å; K3-T58 HydrophobicContact CB-CG2 4.47Å
4G93.4Very high93.3Very high9 Ų957.6 Ų57.69%0.09336%0.357CS..  trans-73144.5170.700000111.6Y7 S57G4-Y7 WeakPolarHBondContact CA-OH 3.46Å; G4-S57 PolarHBondContact N-O 2.87Å
5S91.5Very high93.5Very high98 Ų9854.9 Ų54.969%0.68534%0.339SS*.  trans-147.3143.8176.462.10000111.2Y7S5-Y7 WeakPolarHBondContact O-CD1 3.47Å; S5-Y7 WeakPolarHBondContact O-CE1 3.23Å
6G90.3Very high93.7Very high89 Ų8952.3 Ų52.392%0.91832%0.32SS*.SBendtrans77.715.8177.500000115.7
7Y88.2Confident93.8Very high54 Ų5449.4 Ų49.421%0.21230%0.303CS..SBendtrans-156.8164.817662.7-85000111.4G4 S5 F9 Y12 R78G4-Y7 WeakPolarHBondContact CA-OH 3.46Å; S5-Y7 WeakPolarHBondContact O-CD1 3.47Å; S5-Y7 WeakPolarHBondContact O-CE1 3.23Å; Y7-F9 HydrophobicContact CE2-CB 4.47Å; Y7-F9 HydrophobicContact CE2-CD2 4.15Å; Y7-F9 PolarHBondContact O-N 3.46Å; Y7-Y12 AromaticContact CD2-CD2 3.36Å; Y7-Y12 HydrophobicContact CD2-CD2 3.36Å; Y7-Y12 AromaticContact CD2-CE2 3.45Å; Y7-Y12 HydrophobicContact CD2-CE2 3.45Å; Y7-Y12 VanDerWaalsContact CD2-CE2 3.45Å; Y7-Y12 HydrophobicContact CD2-CG 4.2Å; Y7-Y12 AromaticContact CE2-CD2 3.6Å; Y7-Y12 HydrophobicContact CE2-CD2 3.6Å; Y7-Y12 HydrophobicContact CE2-CE2 4.15Å; Y7-Y12 HydrophobicContact CE2-CG 4.06Å; Y7-Y12 HydrophobicContact CG-CD2 4.44Å; Y7-Y12 HydrophobicContact CG-CE2 4.16Å; Y7-R78 VanDerWaalsContact CE2-CD 3.5Å; Y7-R78 HydrophobicContact CE2-CG 4.25Å
8T92.8Very high93.9Very high81 Ų8147.4 Ų47.450%0.49729%0.289SS..  trans-67.3101170.1-54.40000109.4T10 D11 Y12T8-T10 PolarHBondContact O-N 3.24Å; T8-T10 VanDerWaalsContact O-N 3.13Å; T8-D11 VanDerWaalsContact CB-OD2 3.23Å; T8-D11 WeakPolarHBondContact CB-OD2 3.23Å; T8-D11 WeakPolarHBondContact CG2-OD2 3.27Å; T8-D11 PolarHBondContact O-N 3.17Å; T8-D11 VanDerWaalsContact O-N 3.12Å; T8-Y12 WeakPolarHBondContact O-CD2 3.41Å
9F93.5Very high94Very high7 Ų747.7 Ų47.73%0.03129%0.287CS..G310 helixtrans-53.3-40.7-170.2178.4-114000113.4Y7 D11 Y12 M14 T33 V52 S57 A59Y7-F9 HydrophobicContact CE2-CB 4.47Å; Y7-F9 HydrophobicContact CE2-CD2 4.15Å; Y7-F9 PolarHBondContact O-N 3.46Å; F9-D11 VanDerWaalsContact C-N 3.26Å; F9-D11 PolarHBondContact O-N 3.07Å; F9-Y12 PolarHBondContact O-N 2.78Å; F9-M14 HydrophobicContact CE2-CE 3.84Å; F9-T33 HydrophobicContact CD1-CG2 4.33Å; F9-T33 HydrophobicContact CD2-CG2 4.41Å; F9-T33 HydrophobicContact CE1-CG2 3.78Å; F9-T33 HydrophobicContact CE2-CG2 3.86Å; F9-T33 HydrophobicContact CZ-CG2 3.51Å; F9-T33 PolarHBondContact O-OG1 3.2Å; F9-V52 HydrophobicContact CE1-CG2 3.52Å; F9-V52 HydrophobicContact CZ-CG2 4.02Å; F9-S57 WeakPolarHBondContact CB-OG 3.45Å; F9-S57 WeakPolarHBondContact CE2-O 3.5Å; F9-A59 HydrophobicContact CZ-CB 4.21Å
10T93.6Very high93.8Very high42 Ų4246.5 Ų46.526%0.25828%0.281SS..G310 helixtrans-68.7-14.8-175.850.70000114.9T8 Y12 T33 Y34 K54T8-T10 PolarHBondContact O-N 3.24Å; T8-T10 VanDerWaalsContact O-N 3.13Å; T10-Y12 PolarHBondContact O-N 3.21Å; T10-T33 WeakPolarHBondContact CA-OG1 3.33Å; T10-T33 PolarHBondContact O-OG1 2.83Å; T10-Y34 WeakPolarHBondContact O-CB 3.26Å; T10-K54 HydrophobicContact CG2-CG 4.43Å
11D91.4Very high93.1Very high90 Ų9052 Ų5248%0.48130%0.304SS..G310 helixtrans-80-0-177.9-63.2-9.9000112.6T8 F9T8-D11 VanDerWaalsContact CB-OD2 3.23Å; T8-D11 WeakPolarHBondContact CB-OD2 3.23Å; T8-D11 WeakPolarHBondContact CG2-OD2 3.27Å; T8-D11 PolarHBondContact O-N 3.17Å; T8-D11 VanDerWaalsContact O-N 3.12Å; F9-D11 VanDerWaalsContact C-N 3.26Å; F9-D11 PolarHBondContact O-N 3.07Å
12Y91.2Very high92Very high45 Ų4551.1 Ų51.118%0.17630%0.303CS..EExtended strand (participates in β ladder)trans-128170.1-169-64.5-96.2000112.6Y7 T8 F9 T10 T33 R78 L80Y7-Y12 AromaticContact CD2-CD2 3.36Å; Y7-Y12 HydrophobicContact CD2-CD2 3.36Å; Y7-Y12 AromaticContact CD2-CE2 3.45Å; Y7-Y12 HydrophobicContact CD2-CE2 3.45Å; Y7-Y12 VanDerWaalsContact CD2-CE2 3.45Å; Y7-Y12 HydrophobicContact CD2-CG 4.2Å; Y7-Y12 AromaticContact CE2-CD2 3.6Å; Y7-Y12 HydrophobicContact CE2-CD2 3.6Å; Y7-Y12 HydrophobicContact CE2-CE2 4.15Å; Y7-Y12 HydrophobicContact CE2-CG 4.06Å; Y7-Y12 HydrophobicContact CG-CD2 4.44Å; Y7-Y12 HydrophobicContact CG-CE2 4.16Å; T8-Y12 WeakPolarHBondContact O-CD2 3.41Å; F9-Y12 PolarHBondContact O-N 2.78Å; T10-Y12 PolarHBondContact O-N 3.21Å; Y12-T33 WeakPolarHBondContact O-CB 3.1Å; Y12-T33 WeakPolarHBondContact O-CG2 3Å; Y12-T33 PolarHBondContact O-N 3.18Å; Y12-T33 PolarHBondContact O-OG1 2.93Å; Y12-R78 HydrophobicContact CD1-CG 3.66Å; Y12-R78 HydrophobicContact CE1-CG 4.42Å; Y12-R78 HydrophobicContact CG-CG 3.87Å; Y12-L80 HydrophobicContact CD1-CB 3.96Å; Y12-L80 HydrophobicContact CD1-CD1 3.71Å; Y12-L80 HydrophobicContact CD1-CG 4.45Å; Y12-L80 HydrophobicContact CE1-CB 3.76Å; Y12-L80 HydrophobicContact CE1-CD1 3.25Å; Y12-L80 HydrophobicContact CE1-CG 4.1Å; Y12-L80 HydrophobicContact CE2-CD1 4.17Å; Y12-L80 HydrophobicContact CG-CD1 4.36Å; Y12-L80 VanDerWaalsContact CZ-CD1 3.5Å
13A93.6Very high90.8Very high14 Ų1458.6 Ų58.612%0.11633%0.333CS..EExtended strand (participates in β ladder)trans-108.5149.3164.800000110.4V30 I31 K79A13-V30 HydrophobicContact CB-CG2 3.59Å; A13-I31 WeakPolarHBondContact CA-O 3.44Å; A13-K79 PolarHBondContact N-O 2.57Å; A13-K79 PolarHBondContact O-N 3.17Å; A13-K79 VanDerWaalsContact O-N 3.09Å
14M95.9Very high90.4Very high4 Ų454.2 Ų54.22%0.0232%0.321CS..EExtended strand (participates in β ladder)trans-106.7118.4174-169.267.269.400109.7C2 F9 V30 I31 T33 A59 C76C2-M14 HydrophobicContact CB-CE 4.49Å; C2-M14 HydrophobicContact CB-SD 4.49Å; F9-M14 HydrophobicContact CE2-CE 3.84Å; M14-V30 CarbonylContact O-C 3.49Å; M14-V30 WeakPolarHBondContact O-CA 3.21Å; M14-I31 HydrophobicContact CB-CG2 3.99Å; M14-I31 PolarHBondContact N-O 2.89Å; M14-I31 PolarHBondContact O-N 2.92Å; M14-T33 HydrophobicContact CB-CG2 4.27Å; M14-A59 HydrophobicContact CB-CB 3.91Å; M14-A59 HydrophobicContact CG-CB 3.79Å; M14-C76 HydrophobicContact CG-CB 4.3Å; M14-C76 HydrophobicContact SD-CB 3.77Å
15H96.2Very high90.3Very high18 Ų1858.6 Ų58.68%0.08334%0.342CS..EExtended strand (participates in β ladder)trans-98.7148.9176.1-68.2-113.2000110.7W27 G29 V30 C76 A77 F85H15-W27 AromaticContact CG-NE1 3.92Å; H15-W27 AromaticContact ND1-CD1 3.98Å; H15-W27 AromaticContact ND1-CE2 3.93Å; H15-W27 AromaticContact ND1-NE1 3.13Å; H15-W27 PolarHBondContact ND1-NE1 2.82Å; H15-W27 VanDerWaalsContact ND1-NE1 3.13Å; H15-G29 WeakPolarHBondContact CA-O 3.42Å; H15-V30 VanDerWaalsContact CD2-CG2 3.46Å; H15-V30 WeakPolarHBondContact CD2-CG2 3.34Å; H15-V30 VanDerWaalsContact CE1-CG2 3.45Å; H15-V30 WeakPolarHBondContact CE1-CG2 3.49Å; H15-V30 VanDerWaalsContact NE2-CG2 3.29Å; H15-V30 WeakPolarHBondContact NE2-CG2 3.46Å; H15-C76 CarbonylContact O-C 3.47Å; H15-C76 VanDerWaalsContact O-CA 3.24Å; H15-C76 WeakPolarHBondContact O-CA 3.25Å; H15-A77 HydrophobicContact CB-CB 4.43Å; H15-A77 PolarHBondContact N-O 3.47Å; H15-A77 PolarHBondContact O-N 3.46Å; H15-F85 HydrophobicContact CB-CD1 4.44Å; H15-F85 HydrophobicContact CB-CE1 3.68Å; H15-F85 HydrophobicContact CB-CZ 4.12Å; H15-F85 AromaticContact CD2-CE1 3.45Å; H15-F85 VanDerWaalsContact CD2-CE1 3.45Å; H15-F85 WeakPolarHBondContact CD2-CE1 3.38Å; H15-F85 AromaticContact CE1-CE1 3.67Å; H15-F85 AromaticContact CE1-CZ 3.98Å; H15-F85 AromaticContact CG-CE1 3.25Å; H15-F85 AromaticContact CG-CZ 3.79Å; H15-F85 AromaticContact ND1-CE1 3.39Å; H15-F85 WeakPolarHBondContact ND1-CE1 3.42Å; H15-F85 AromaticContact ND1-CZ 3.53Å; H15-F85 AromaticContact NE2-CE1 3.7Å
16W97.3Very high90.5Very high12 Ų1256 Ų565%0.04532%0.319CS..EExtended strand (participates in β ladder)trans-119.4136.2175.5-65.293000110.2C2 I28 G29 M50 A59 M61 Y75 C76C2-W16 HydrophobicContact CB-CH2 3.59Å; C2-W16 HydrophobicContact CB-CZ2 3.98Å; C2-W16 HydrophobicContact CB-CZ3 4.36Å; W16-I28 HydrophobicContact CB-CB 4.11Å; W16-I28 HydrophobicContact CB-CD1 4.27Å; W16-I28 WeakPolarHBondContact O-CB 3.45Å; W16-I28 PolarHBondContact O-N 2.84Å; W16-G29 PolarHBondContact N-O 2.93Å; W16-M50 HydrophobicContact CB-CE 3.86Å; W16-M50 VanDerWaalsContact CD1-SD 3.54Å; W16-M50 HydrophobicContact CG-CE 3.94Å; W16-M50 HydrophobicContact CG-SD 4.49Å; W16-A59 HydrophobicContact CZ2-CB 4.38Å; W16-M61 HydrophobicContact CB-SD 3.68Å; W16-M61 HydrophobicContact CD2-CB 3.72Å; W16-M61 HydrophobicContact CD2-CE 4.19Å; W16-M61 HydrophobicContact CD2-CG 4.4Å; W16-M61 HydrophobicContact CD2-SD 3.91Å; W16-M61 HydrophobicContact CE3-CB 4.09Å; W16-M61 HydrophobicContact CE3-CE 3.78Å; W16-M61 HydrophobicContact CE3-SD 4.13Å; W16-M61 HydrophobicContact CG-CB 4.17Å; W16-M61 HydrophobicContact CG-CG 4.46Å; W16-M61 HydrophobicContact CG-SD 3.73Å; W16-M61 HydrophobicContact CH2-CB 4.21Å; W16-M61 HydrophobicContact CZ2-CB 3.85Å; W16-M61 HydrophobicContact CZ3-CB 4.32Å; W16-M61 HydrophobicContact CZ3-CE 4.36Å; W16-Y75 WeakPolarHBondContact CA-O 3.43Å; W16-C76 HydrophobicContact CD2-CB 4.43Å; W16-C76 HydrophobicContact CE3-CB 4.05Å; W16-C76 HydrophobicContact CH2-CB 4.15Å; W16-C76 HydrophobicContact CZ3-CB 3.91Å
17V96.3Very high90.7Very high4 Ų456 Ų562%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-138.4132.8-173.8-176.60000109.4L25 E26 Y74 Y75 W88V17-L25 HydrophobicContact CG1-CB 3.97Å; V17-L25 HydrophobicContact CG1-CD2 3.95Å; V17-L25 HydrophobicContact CG1-CG 4.48Å; V17-E26 CarbonylContact C-O 3.55Å; V17-E26 WeakPolarHBondContact CA-O 3.28Å; V17-E26 WeakPolarHBondContact CG1-O 3.24Å; V17-Y74 WeakPolarHBondContact O-CA 3.26Å; V17-Y75 PolarHBondContact N-O 2.85Å; V17-Y75 PolarHBondContact O-N 2.93Å; V17-W88 HydrophobicContact CB-CH2 4.09Å; V17-W88 HydrophobicContact CB-CZ3 3.79Å; V17-W88 HydrophobicContact CG1-CH2 4.1Å; V17-W88 HydrophobicContact CG1-CZ3 4.05Å; V17-W88 HydrophobicContact CG2-CH2 3.7Å; V17-W88 HydrophobicContact CG2-CZ3 3.8Å
18K95.5Very high91.1Very high13 Ų1353.4 Ų53.46%0.05728%0.281CS..EExtended strand (participates in β ladder)trans-96.8133.6172.5-177.7-174.2179-170.30108.7E26 I28 F44 E69 D70 A72 Y74K18-E26 HydrophobicContact CB-CB 4.42Å; K18-E26 PolarHBondContact N-O 2.82Å; K18-E26 PolarHBondContact O-N 2.77Å; K18-I28 HydrophobicContact CB-CD1 4.02Å; K18-I28 HydrophobicContact CB-CG1 4.15Å; K18-F44 HydrophobicContact CB-CZ 4.49Å; K18-F44 HydrophobicContact CD-CE1 4.05Å; K18-F44 HydrophobicContact CD-CZ 4.06Å; K18-E69 PolarHBondContact NZ-O 3.14Å; K18-D70 IonicContact NZ-OD1 3.43Å; K18-D70 PolarHBondContact NZ-OD1 3.05Å; K18-A72 HydrophobicContact CD-CB 4.09Å; K18-A72 VanDerWaalsContact CE-CB 3.49Å; K18-A72 HydrophobicContact CG-CB 3.47Å; K18-A72 VanDerWaalsContact CG-CB 3.47Å; K18-Y74 HydrophobicContact CB-CD1 4.28Å; K18-Y74 HydrophobicContact CB-CE1 4.04Å; K18-Y74 HydrophobicContact CD-CE1 4.35Å; K18-Y74 HydrophobicContact CG-CD1 4.5Å; K18-Y74 HydrophobicContact CG-CE1 4Å
19Q95.4Very high91.2Very high53 Ų5349.5 Ų49.525%0.24826%0.257CS..EExtended strand (participates in β ladder)trans-110.2106.7167.7-170.6177.63200109.4S24 L25 A72 V73 Y75Q19-S24 WeakPolarHBondContact CA-O 3.4Å; Q19-L25 HydrophobicContact CB-CD2 3.75Å; Q19-L25 HydrophobicContact CG-CD2 3.86Å; Q19-A72 VanDerWaalsContact O-CB 3.23Å; Q19-A72 WeakPolarHBondContact O-CB 3.49Å; Q19-V73 HydrophobicContact CB-CB 4.48Å; Q19-V73 PolarHBondContact N-O 3.26Å; Q19-V73 PolarHBondContact O-N 3.26Å; Q19-V73 VanDerWaalsContact O-N 3.14Å; Q19-Y75 HydrophobicContact CB-CD2 4.31Å; Q19-Y75 HydrophobicContact CB-CE2 3.64Å; Q19-Y75 PolarHBondContact OE1-OH 3.15Å
20S89.1Confident91.4Very high24 Ų2450.4 Ų50.417%0.16826%0.263CS..  trans-69.1162177.273.30000111.2A22 K23 S24S20-A22 PolarHBondContact O-N 3.11Å; S20-A22 PolarHBondContact OG-N 3.28Å; S20-K23 WeakPolarHBondContact O-CA 3.4Å; S20-K23 PolarHBondContact O-N 2.9Å; S20-S24 PolarHBondContact N-O 2.83Å; S20-S24 PolarHBondContact OG-OG 2.91Å
21H79.1Confident91.5Very high163 Ų16348.4 Ų48.476%0.75525%0.251SS*.THydrogen-bonded Turntrans-56.6-23174.6-67.597000113.4K23 S71H21-K23 PolarHBondContact O-N 2.77Å; H21-S71 PolarHBondContact CE1-O 3.31Å; H21-S71 PolarHBondContact ND1-O 2.93Å
22A74.7Confident91.7Very high87 Ų8745.2 Ų45.272%0.71924%0.236SC*.THydrogen-bonded Turntrans-77.19172.300000113.8S20 S24S20-A22 PolarHBondContact O-N 3.11Å; S20-A22 PolarHBondContact OG-N 3.28Å; A22-S24 PolarHBondContact O-N 3.16Å; A22-S24 VanDerWaalsContact O-N 3.17Å
23K71.9Confident91.9Very high174 Ų17443.1 Ų43.176%0.75723%0.228SC*.  trans62.910.3-179.9-57.4-176.5178.5-179.50115.6S20 H21S20-K23 WeakPolarHBondContact O-CA 3.4Å; S20-K23 PolarHBondContact O-N 2.9Å; H21-K23 PolarHBondContact O-N 2.77Å
24S87.1Confident91.9Very high57 Ų5748.8 Ų48.840%0.39925%0.247SC..  trans-76.4134.5171.759.90000111Q19 S20 A22Q19-S24 WeakPolarHBondContact CA-O 3.4Å; S20-S24 PolarHBondContact N-O 2.83Å; S20-S24 PolarHBondContact OG-OG 2.91Å; A22-S24 PolarHBondContact O-N 3.16Å; A22-S24 VanDerWaalsContact O-N 3.17Å
25L92.4Very high91.9Very high101 Ų10157.1 Ų57.153%0.52928%0.279SS..EExtended strand (participates in β ladder)trans-88.4120.1170-66.5175.6000109.1V17 Q19 W88V17-L25 HydrophobicContact CG1-CB 3.97Å; V17-L25 HydrophobicContact CG1-CD2 3.95Å; V17-L25 HydrophobicContact CG1-CG 4.48Å; Q19-L25 HydrophobicContact CB-CD2 3.75Å; Q19-L25 HydrophobicContact CG-CD2 3.86Å; L25-W88 HydrophobicContact CD1-CH2 4.48Å
26E94.1Very high91.8Very high43 Ų4357.9 Ų57.920%0.20129%0.292CS..EExtended strand (participates in β ladder)trans-110.8116.9175.8-66.4-170.894.200109.3V17 K18 I28 K43 F44V17-E26 CarbonylContact C-O 3.55Å; V17-E26 WeakPolarHBondContact CA-O 3.28Å; V17-E26 WeakPolarHBondContact CG1-O 3.24Å; K18-E26 HydrophobicContact CB-CB 4.42Å; K18-E26 PolarHBondContact N-O 2.82Å; K18-E26 PolarHBondContact O-N 2.77Å; E26-I28 PolarHBondContact O-N 3.43Å; E26-K43 IonicContact OE1-NZ 2.82Å; E26-K43 PolarHBondContact OE1-NZ 2.94Å; E26-F44 HydrophobicContact CB-CE2 4.32Å; E26-F44 HydrophobicContact CB-CZ 4.31Å
27W94.8Very high91.7Very high89 Ų8961.6 Ų61.634%0.33731%0.312SS..EExtended strand (participates in β ladder)trans-70.9124.5174.5-179.871.5000110.3H15 G29 V30 N41H15-W27 AromaticContact CG-NE1 3.92Å; H15-W27 AromaticContact ND1-CD1 3.98Å; H15-W27 AromaticContact ND1-CE2 3.93Å; H15-W27 AromaticContact ND1-NE1 3.13Å; H15-W27 PolarHBondContact ND1-NE1 2.82Å; H15-W27 VanDerWaalsContact ND1-NE1 3.13Å; W27-G29 VanDerWaalsContact CE2-C 3.41Å; W27-G29 VanDerWaalsContact CE2-CA 3.47Å; W27-G29 PolarHBondContact NE1-O 3.09Å; W27-V30 HydrophobicContact CH2-CG1 4.39Å; W27-V30 HydrophobicContact CZ2-CB 3.88Å; W27-V30 HydrophobicContact CZ2-CG1 3.76Å; W27-N41 HydrophobicContact CE3-CB 3.86Å; W27-N41 HydrophobicContact CZ3-CB 4.02Å; W27-N41 WeakPolarHBondContact O-CB 3.43Å; W27-N41 PolarHBondContact O-ND2 3.4Å
28I96.8Very high91.7Very high0 Ų062.9 Ų62.90%032%0.324CS..EExtended strand (participates in β ladder)trans-88.1-46.9-178.5-59174.2000110W16 K18 E26 N41 F44 A48 M50 M61 Y74W16-I28 HydrophobicContact CB-CB 4.11Å; W16-I28 HydrophobicContact CB-CD1 4.27Å; W16-I28 WeakPolarHBondContact O-CB 3.45Å; W16-I28 PolarHBondContact O-N 2.84Å; K18-I28 HydrophobicContact CB-CD1 4.02Å; K18-I28 HydrophobicContact CB-CG1 4.15Å; E26-I28 PolarHBondContact O-N 3.43Å; I28-N41 WeakPolarHBondContact O-CB 3.39Å; I28-N41 PolarHBondContact O-N 2.83Å; I28-F44 HydrophobicContact CB-CD2 4.32Å; I28-F44 HydrophobicContact CB-CG 4.27Å; I28-F44 HydrophobicContact CG1-CD1 4.24Å; I28-F44 HydrophobicContact CG1-CD2 4.29Å; I28-F44 HydrophobicContact CG1-CE1 4.21Å; I28-F44 HydrophobicContact CG1-CE2 4.24Å; I28-F44 HydrophobicContact CG1-CG 4.28Å; I28-F44 HydrophobicContact CG1-CZ 4.21Å; I28-F44 HydrophobicContact CG2-CB 3.73Å; I28-F44 HydrophobicContact CG2-CD1 4.16Å; I28-F44 HydrophobicContact CG2-CD2 4.33Å; I28-F44 HydrophobicContact CG2-CG 3.83Å; I28-A48 HydrophobicContact CG2-CB 3.88Å; I28-M50 HydrophobicContact CB-CE 4.38Å; I28-M50 HydrophobicContact CG2-CE 3.79Å; I28-M61 HydrophobicContact CD1-CE 4.05Å; I28-M61 HydrophobicContact CD1-SD 3.83Å; I28-M61 HydrophobicContact CG2-SD 3.94Å; I28-Y74 HydrophobicContact CD1-CD1 3.64Å; I28-Y74 HydrophobicContact CD1-CE1 3.69Å
29G96.4Very high91.7Very high0 Ų065.2 Ų65.20%034%0.342CS..EExtended strand (participates in β ladder)trans170.9-178.1-173.700000113H15 W16 W27 S39H15-G29 WeakPolarHBondContact CA-O 3.42Å; W16-G29 PolarHBondContact N-O 2.93Å; W27-G29 VanDerWaalsContact CE2-C 3.41Å; W27-G29 VanDerWaalsContact CE2-CA 3.47Å; W27-G29 PolarHBondContact NE1-O 3.09Å; G29-S39 CarbonylContact C-O 3.58Å; G29-S39 WeakPolarHBondContact CA-O 3.15Å
30V96.1Very high91.8Very high26 Ų2665.9 Ų65.916%0.15834%0.343CS..EExtended strand (participates in β ladder)trans-140.4144.5177.761.90000109.5A13 M14 H15 W27 A38 S39A13-V30 HydrophobicContact CB-CG2 3.59Å; M14-V30 CarbonylContact O-C 3.49Å; M14-V30 WeakPolarHBondContact O-CA 3.21Å; H15-V30 VanDerWaalsContact CD2-CG2 3.46Å; H15-V30 WeakPolarHBondContact CD2-CG2 3.34Å; H15-V30 VanDerWaalsContact CE1-CG2 3.45Å; H15-V30 WeakPolarHBondContact CE1-CG2 3.49Å; H15-V30 VanDerWaalsContact NE2-CG2 3.29Å; H15-V30 WeakPolarHBondContact NE2-CG2 3.46Å; W27-V30 HydrophobicContact CH2-CG1 4.39Å; W27-V30 HydrophobicContact CZ2-CB 3.88Å; W27-V30 HydrophobicContact CZ2-CG1 3.76Å; V30-A38 CarbonylContact O-C 3.52Å; V30-A38 VanDerWaalsContact O-CA 3.26Å; V30-A38 WeakPolarHBondContact O-CA 2.87Å; V30-S39 PolarHBondContact N-O 2.81Å; V30-S39 PolarHBondContact O-N 3.21Å
31I96.6Very high92.1Very high0 Ų067 Ų670%035%0.347CS..EExtended strand (participates in β ladder)trans-121131.8167.4-174.7164.6000110.2A13 M14 T33 D37 A38 M50 T51 V52 A59A13-I31 WeakPolarHBondContact CA-O 3.44Å; M14-I31 HydrophobicContact CB-CG2 3.99Å; M14-I31 PolarHBondContact N-O 2.89Å; M14-I31 PolarHBondContact O-N 2.92Å; I31-T33 PolarHBondContact O-N 2.83Å; I31-D37 WeakPolarHBondContact CA-O 3.45Å; I31-A38 HydrophobicContact CB-CB 4.35Å; I31-A38 HydrophobicContact CG1-CB 4.41Å; I31-M50 HydrophobicContact CB-CB 4.1Å; I31-M50 HydrophobicContact CB-SD 4.49Å; I31-M50 HydrophobicContact CD1-CB 4.05Å; I31-M50 HydrophobicContact CG2-CB 4.43Å; I31-T51 VanDerWaalsContact CD1-C 3.46Å; I31-V52 HydrophobicContact CD1-CB 4.03Å; I31-V52 HydrophobicContact CD1-CG1 4.23Å; I31-A59 HydrophobicContact CG2-CB 4.31Å
32S95.2Very high92.9Very high23 Ų2367.5 Ų67.516%0.16135%0.349CS..EExtended strand (participates in β ladder)trans-68.5122168.7177.10000109.2Y34 Y35 G36 D37S32-Y34 VanDerWaalsContact C-N 3.26Å; S32-Y34 PolarHBondContact O-N 2.72Å; S32-Y35 WeakPolarHBondContact OG-CD2 3.43Å; S32-Y35 PolarHBondContact OG-N 3Å; S32-G36 WeakPolarHBondContact O-CA 3.29Å; S32-G36 PolarHBondContact O-N 3.19Å; S32-D37 WeakPolarHBondContact CB-OD1 3.34Å; S32-D37 PolarHBondContact N-O 3.13Å
33T95.1Very high93.7Very high1 Ų170 Ų701%0.00634%0.344CS..THydrogen-bonded Turntrans-76.6-19.3179.267.30000112.3F9 T10 Y12 M14 I31 K54F9-T33 HydrophobicContact CD1-CG2 4.33Å; F9-T33 HydrophobicContact CD2-CG2 4.41Å; F9-T33 HydrophobicContact CE1-CG2 3.78Å; F9-T33 HydrophobicContact CE2-CG2 3.86Å; F9-T33 HydrophobicContact CZ-CG2 3.51Å; F9-T33 PolarHBondContact O-OG1 3.2Å; T10-T33 WeakPolarHBondContact CA-OG1 3.33Å; T10-T33 PolarHBondContact O-OG1 2.83Å; Y12-T33 WeakPolarHBondContact O-CB 3.1Å; Y12-T33 WeakPolarHBondContact O-CG2 3Å; Y12-T33 PolarHBondContact O-N 3.18Å; Y12-T33 PolarHBondContact O-OG1 2.93Å; M14-T33 HydrophobicContact CB-CG2 4.27Å; I31-T33 PolarHBondContact O-N 2.83Å; T33-K54 WeakPolarHBondContact O-CE 3Å
34Y94.6Very high94.7Very high132 Ų13262.2 Ų62.252%0.51831%0.31SS..THydrogen-bonded Turntrans-82.6-54.3173.7-172-97.8000112.4T10 S32 K54T10-Y34 WeakPolarHBondContact O-CB 3.26Å; S32-Y34 VanDerWaalsContact C-N 3.26Å; S32-Y34 PolarHBondContact O-N 2.72Å; Y34-K54 WeakPolarHBondContact O-CE 3.05Å; Y34-K54 PolarHBondContact O-NZ 2.92Å
35Y94.9Very high94.9Very high180 Ų18066.2 Ų66.271%0.70632%0.32SS*.THydrogen-bonded Turntrans-88.4-25.4-173.1-64.3-66.9000112.6S32 D37S32-Y35 WeakPolarHBondContact OG-CD2 3.43Å; S32-Y35 PolarHBondContact OG-N 3Å; Y35-D37 WeakPolarHBondContact CB-OD1 3.35Å; Y35-D37 PolarHBondContact O-N 2.93Å
36G94.9Very high95Very high33 Ų3366.9 Ų66.934%0.3432%0.324SS..  trans77.44.5-177.300000114.4S32S32-G36 WeakPolarHBondContact O-CA 3.29Å; S32-G36 PolarHBondContact O-N 3.19Å
37D95.1Very high95Very high90 Ų9067.4 Ų67.448%0.48133%0.326SS..  trans-77.7142.7173.568.7-65.2000110.9I31 S32 Y35I31-D37 WeakPolarHBondContact CA-O 3.45Å; S32-D37 WeakPolarHBondContact CB-OD1 3.34Å; S32-D37 PolarHBondContact N-O 3.13Å; Y35-D37 WeakPolarHBondContact CB-OD1 3.35Å; Y35-D37 PolarHBondContact O-N 2.93Å
38A96.5Very high95.1Very high32 Ų3263.2 Ų63.226%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-119.6139.4-177.600000111.2V30 I31 Y40 M50V30-A38 CarbonylContact O-C 3.52Å; V30-A38 VanDerWaalsContact O-CA 3.26Å; V30-A38 WeakPolarHBondContact O-CA 2.87Å; I31-A38 HydrophobicContact CB-CB 4.35Å; I31-A38 HydrophobicContact CG1-CB 4.41Å; A38-Y40 HydrophobicContact CB-CE2 3.64Å; A38-Y40 WeakPolarHBondContact CB-OH 3.33Å; A38-M50 HydrophobicContact CB-CB 4.03Å
39S96.1Very high95.2Very high62 Ų6266.9 Ų66.943%0.43433%0.333SS..EExtended strand (participates in β ladder)trans-118.9137.8172-71.10000109.6G29 V30G29-S39 CarbonylContact C-O 3.58Å; G29-S39 WeakPolarHBondContact CA-O 3.15Å; V30-S39 PolarHBondContact N-O 2.81Å; V30-S39 PolarHBondContact O-N 3.21Å
40Y97Very high95.3Very high67 Ų6767.4 Ų67.426%0.26334%0.335SS..EExtended strand (participates in β ladder)trans-122.8147.4-171.9-58.3-91.1000111.1A38 A48 M50A38-Y40 HydrophobicContact CB-CE2 3.64Å; A38-Y40 WeakPolarHBondContact CB-OH 3.33Å; Y40-A48 HydrophobicContact CD1-CB 4.28Å; Y40-A48 HydrophobicContact CE1-CB 4.21Å; Y40-A48 WeakPolarHBondContact CE1-O 3.46Å; Y40-M50 HydrophobicContact CD1-CE 4.18Å; Y40-M50 HydrophobicContact CE1-CB 4.4Å; Y40-M50 HydrophobicContact CE1-CE 4.07Å; Y40-M50 HydrophobicContact CE1-CG 3.86Å; Y40-M50 HydrophobicContact CE1-SD 4.05Å; Y40-M50 PolarHBondContact OH-N 2.93Å
41N95.4Very high95.4Very high47 Ų4769.8 Ų69.825%0.25135%0.35SS..  trans-68.2138.3159.6-178.8-27.9000109W27 I28 K43 F44 K45W27-N41 HydrophobicContact CE3-CB 3.86Å; W27-N41 HydrophobicContact CZ3-CB 4.02Å; W27-N41 WeakPolarHBondContact O-CB 3.43Å; W27-N41 PolarHBondContact O-ND2 3.4Å; I28-N41 WeakPolarHBondContact O-CB 3.39Å; I28-N41 PolarHBondContact O-N 2.83Å; N41-K43 PolarHBondContact O-N 2.88Å; N41-K43 VanDerWaalsContact O-N 3.11Å; N41-K43 PolarHBondContact OD1-N 2.93Å; N41-K43 VanDerWaalsContact OD1-N 3.12Å; N41-F44 HydrophobicContact CB-CD2 4.07Å; N41-F44 PolarHBondContact O-N 2.89Å; N41-K45 PolarHBondContact O-N 3.11Å; N41-K45 VanDerWaalsContact O-N 3.11Å
42Q94.5Very high95.4Very high173 Ų17371.5 Ų71.581%0.80836%0.36SS*.THydrogen-bonded Turntrans-54.3-33.7-177.2-168167.16.900113.1F44Q42-F44 PolarHBondContact O-N 3.25Å
43K91.6Very high95.5Very high141 Ų14173 Ų7361%0.61337%0.367SS*.THydrogen-bonded Turntrans-61.1-27.3175.7-70.2-175.2177.9-172.70114.1E26 N41E26-K43 IonicContact OE1-NZ 2.82Å; E26-K43 PolarHBondContact OE1-NZ 2.94Å; N41-K43 PolarHBondContact O-N 2.88Å; N41-K43 VanDerWaalsContact O-N 3.11Å; N41-K43 PolarHBondContact OD1-N 2.93Å; N41-K43 VanDerWaalsContact OD1-N 3.12Å
44F93.8Very high95.6Very high9 Ų977.9 Ų77.94%0.03939%0.388CS..THydrogen-bonded Turntrans-114.3-4.5-171.6-62.1-82.9000113.4K18 E26 I28 N41 Q42 D46 K47 A48K18-F44 HydrophobicContact CB-CZ 4.49Å; K18-F44 HydrophobicContact CD-CE1 4.05Å; K18-F44 HydrophobicContact CD-CZ 4.06Å; E26-F44 HydrophobicContact CB-CE2 4.32Å; E26-F44 HydrophobicContact CB-CZ 4.31Å; I28-F44 HydrophobicContact CB-CD2 4.32Å; I28-F44 HydrophobicContact CB-CG 4.27Å; I28-F44 HydrophobicContact CG1-CD1 4.24Å; I28-F44 HydrophobicContact CG1-CD2 4.29Å; I28-F44 HydrophobicContact CG1-CE1 4.21Å; I28-F44 HydrophobicContact CG1-CE2 4.24Å; I28-F44 HydrophobicContact CG1-CG 4.28Å; I28-F44 HydrophobicContact CG1-CZ 4.21Å; I28-F44 HydrophobicContact CG2-CB 3.73Å; I28-F44 HydrophobicContact CG2-CD1 4.16Å; I28-F44 HydrophobicContact CG2-CD2 4.33Å; I28-F44 HydrophobicContact CG2-CG 3.83Å; N41-F44 HydrophobicContact CB-CD2 4.07Å; N41-F44 PolarHBondContact O-N 2.89Å; Q42-F44 PolarHBondContact O-N 3.25Å; F44-D46 PolarHBondContact O-N 2.76Å; F44-D46 VanDerWaalsContact O-N 3.14Å; F44-K47 PolarHBondContact O-N 3.12Å; F44-A48 HydrophobicContact CB-CB 4.42Å; F44-A48 PolarHBondContact O-N 2.79Å
45K92.2Very high95.6Very high142 Ų14276.8 Ų76.862%0.61740%0.4SS*.THydrogen-bonded Turntrans-55.9-34.1-174.4-170.7177.3179.6-177.40113.6N41N41-K45 PolarHBondContact O-N 3.11Å; N41-K45 VanDerWaalsContact O-N 3.11Å
46D93.3Very high95.7Very high115 Ų11569.8 Ų69.862%0.61538%0.377SS*.THydrogen-bonded Turntrans-94.6-6.4179.4-59.8-41.3000113.4F44 R65F44-D46 PolarHBondContact O-N 2.76Å; F44-D46 VanDerWaalsContact O-N 3.14Å; D46-R65 PolarHBondContact O-NE 2.03Å; D46-R65 PolarHBondContact O-NH2 2.77Å
47K94.9Very high95.7Very high53 Ų5370 Ų7023%0.2337%0.373CS..THydrogen-bonded Turntrans-106.1-32.2-178-68.5-171.4175.1-169.60113F44 L63 A64 D70F44-K47 PolarHBondContact O-N 3.12Å; K47-L63 CarbonylContact O-C 3.58Å; K47-L63 WeakPolarHBondContact O-CA 3.19Å; K47-A64 PolarHBondContact O-N 2.82Å; K47-D70 IonicContact NZ-OD1 3.19Å; K47-D70 PolarHBondContact NZ-OD1 3.13Å; K47-D70 IonicContact NZ-OD2 2.72Å; K47-D70 PolarHBondContact NZ-OD2 2.56Å
48A97Very high95.9Very high2 Ų266.1 Ų66.12%0.01735%0.353CS..EExtended strand (participates in β ladder)trans-110.7133.7-172.300000111.6I28 Y40 F44 M61 E62 L63I28-A48 HydrophobicContact CG2-CB 3.88Å; Y40-A48 HydrophobicContact CD1-CB 4.28Å; Y40-A48 HydrophobicContact CE1-CB 4.21Å; Y40-A48 WeakPolarHBondContact CE1-O 3.46Å; F44-A48 HydrophobicContact CB-CB 4.42Å; F44-A48 PolarHBondContact O-N 2.79Å; A48-M61 HydrophobicContact CB-CG 4.39Å; A48-E62 WeakPolarHBondContact CA-O 3.39Å; A48-L63 HydrophobicContact CB-CD2 3.93Å
49T97.9Very high95.9Very high77 Ų7764.6 Ų64.647%0.47234%0.34SS..EExtended strand (participates in β ladder)trans-120.4125.8168.2-590000108.4M61 E62T49-M61 CarbonylContact O-C 3.54Å; T49-M61 WeakPolarHBondContact O-CA 3.41Å; T49-E62 PolarHBondContact N-O 2.87Å; T49-E62 PolarHBondContact O-N 3.04Å
50M98.1Very high96Very high10 Ų1065.8 Ų65.85%0.04934%0.336CS..EExtended strand (participates in β ladder)trans-108.5136.3179.5-63.4175.5-172.500110.8W16 I28 I31 A38 Y40 Y60 M61W16-M50 HydrophobicContact CB-CE 3.86Å; W16-M50 VanDerWaalsContact CD1-SD 3.54Å; W16-M50 HydrophobicContact CG-CE 3.94Å; W16-M50 HydrophobicContact CG-SD 4.49Å; I28-M50 HydrophobicContact CB-CE 4.38Å; I28-M50 HydrophobicContact CG2-CE 3.79Å; I31-M50 HydrophobicContact CB-CB 4.1Å; I31-M50 HydrophobicContact CB-SD 4.49Å; I31-M50 HydrophobicContact CD1-CB 4.05Å; I31-M50 HydrophobicContact CG2-CB 4.43Å; A38-M50 HydrophobicContact CB-CB 4.03Å; Y40-M50 HydrophobicContact CD1-CE 4.18Å; Y40-M50 HydrophobicContact CE1-CB 4.4Å; Y40-M50 HydrophobicContact CE1-CE 4.07Å; Y40-M50 HydrophobicContact CE1-CG 3.86Å; Y40-M50 HydrophobicContact CE1-SD 4.05Å; Y40-M50 PolarHBondContact OH-N 2.93Å; M50-Y60 WeakPolarHBondContact CA-O 3.47Å; M50-M61 HydrophobicContact CE-CG 4.47Å; M50-M61 HydrophobicContact CE-SD 4.17Å; M50-M61 HydrophobicContact CG-CB 4.46Å; M50-M61 HydrophobicContact CG-CG 4.34Å
51T98.1Very high96.1Very high76 Ų7664 Ų6447%0.46633%0.33SS..EExtended strand (participates in β ladder)trans-138.2163.9175.663.90000110.7I31 Y60I31-T51 VanDerWaalsContact CD1-C 3.46Å; T51-Y60 PolarHBondContact N-O 3.12Å; T51-Y60 PolarHBondContact O-N 3.09Å
52V97.9Very high96.2Very high36 Ų3668 Ų6822%0.21835%0.348CS..EExtended strand (participates in β ladder)trans-135133-179.766.60000110.9F9 I31F9-V52 HydrophobicContact CE1-CG2 3.52Å; F9-V52 HydrophobicContact CZ-CG2 4.02Å; I31-V52 HydrophobicContact CD1-CB 4.03Å; I31-V52 HydrophobicContact CD1-CG1 4.23Å
53D97.4Very high96.2Very high55 Ų5561.6 Ų61.629%0.29432%0.319SS..EExtended strand (participates in β ladder)trans-108.8106166.5175.510.1000108.9S55 S56 S57 T58 Y60D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 WeakPolarHBondContact OD1-CB 3.47Å; D53-S55 PolarHBondContact OD1-N 3.35Å; D53-S55 PolarHBondContact OD1-OG 2.83Å; D53-S55 PolarHBondContact OD2-OG 3.09Å; D53-S56 PolarHBondContact OD1-N 2.99Å; D53-S56 VanDerWaalsContact OD2-CB 3.25Å; D53-S56 WeakPolarHBondContact OD2-CB 3.39Å; D53-S56 PolarHBondContact OD2-OG 2.85Å; D53-S57 PolarHBondContact O-N 2.89Å; D53-S57 VanDerWaalsContact O-N 3.15Å; D53-T58 PolarHBondContact N-O 3.14Å; D53-T58 PolarHBondContact O-N 2.94Å; D53-Y60 HydrophobicContact CB-CE2 3.9Å
54K95.3Very high96.4Very high103 Ų10357 Ų5745%0.44831%0.306SS..THydrogen-bonded Turntrans-69.4-32.2-178.8-61.2174.5-177.8175.60111.9T10 T33 Y34 S56 S57T10-K54 HydrophobicContact CG2-CG 4.43Å; T33-K54 WeakPolarHBondContact O-CE 3Å; Y34-K54 WeakPolarHBondContact O-CE 3.05Å; Y34-K54 PolarHBondContact O-NZ 2.92Å; K54-S56 VanDerWaalsContact C-N 3.34Å; K54-S56 PolarHBondContact O-N 3.07Å; K54-S57 PolarHBondContact O-N 2.87Å
55S95.1Very high96.3Very high109 Ų10965.3 Ų65.376%0.76234%0.338SS*.THydrogen-bonded Turntrans-66.3-38.9-176.472.90000111.7D53D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 WeakPolarHBondContact OD1-CB 3.47Å; D53-S55 PolarHBondContact OD1-N 3.35Å; D53-S55 PolarHBondContact OD1-OG 2.83Å; D53-S55 PolarHBondContact OD2-OG 3.09Å
56S96.8Very high96.3Very high34 Ų3460.9 Ų60.924%0.23832%0.321CS..THydrogen-bonded Turntrans-94.20.1176.568.30000113.8K3 D53 K54 T58K3-S56 WeakPolarHBondContact CE-O 3.38Å; D53-S56 PolarHBondContact OD1-N 2.99Å; D53-S56 VanDerWaalsContact OD2-CB 3.25Å; D53-S56 WeakPolarHBondContact OD2-CB 3.39Å; D53-S56 PolarHBondContact OD2-OG 2.85Å; K54-S56 VanDerWaalsContact C-N 3.34Å; K54-S56 PolarHBondContact O-N 3.07Å; S56-T58 VanDerWaalsContact C-N 3.25Å; S56-T58 PolarHBondContact O-N 2.94Å; S56-T58 PolarHBondContact O-OG1 2.69Å; S56-T58 VanDerWaalsContact O-OG1 3.12Å; S56-T58 WeakPolarHBondContact OG-CB 3.47Å; S56-T58 PolarHBondContact OG-OG1 3.43Å; S56-T58 VanDerWaalsContact OG-OG1 3.09Å
57S96.8Very high96.3Very high37 Ų3758.5 Ų58.526%0.25931%0.31SS..THydrogen-bonded Turntrans53.341.5-173-630000112.9K3 G4 F9 D53 K54K3-S57 WeakPolarHBondContact CA-O 3.42Å; G4-S57 PolarHBondContact N-O 2.87Å; F9-S57 WeakPolarHBondContact CB-OG 3.45Å; F9-S57 WeakPolarHBondContact CE2-O 3.5Å; D53-S57 PolarHBondContact O-N 2.89Å; D53-S57 VanDerWaalsContact O-N 3.15Å; K54-S57 PolarHBondContact O-N 2.87Å
58T97.9Very high96.2Very high9 Ų959.6 Ų59.66%0.05533%0.325CS..EExtended strand (participates in β ladder)trans-122.1129.1-173.8-52.70000111.4C2 K3 D53 S56 Y60C2-T58 WeakPolarHBondContact O-CA 3.42Å; K3-T58 HydrophobicContact CB-CG2 4.47Å; D53-T58 PolarHBondContact N-O 3.14Å; D53-T58 PolarHBondContact O-N 2.94Å; S56-T58 VanDerWaalsContact C-N 3.25Å; S56-T58 PolarHBondContact O-N 2.94Å; S56-T58 PolarHBondContact O-OG1 2.69Å; S56-T58 VanDerWaalsContact O-OG1 3.12Å; S56-T58 WeakPolarHBondContact OG-CB 3.47Å; S56-T58 PolarHBondContact OG-OG1 3.43Å; S56-T58 VanDerWaalsContact OG-OG1 3.09Å; T58-Y60 HydrophobicContact CG2-CD1 4.48Å; T58-Y60 HydrophobicContact CG2-CD2 4.22Å; T58-Y60 HydrophobicContact CG2-CE1 3.88Å; T58-Y60 HydrophobicContact CG2-CE2 3.6Å
59A97.8Very high95.9Very high0 Ų067.1 Ų67.10%036%0.359CS..EExtended strand (participates in β ladder)trans-97145.416700000110.2S1 C2 F9 M14 W16 I31S1-A59 CarbonylContact C-O 3.45Å; S1-A59 WeakPolarHBondContact CA-O 3.35Å; C2-A59 PolarHBondContact N-O 2.83Å; C2-A59 PolarHBondContact O-N 3.11Å; F9-A59 HydrophobicContact CZ-CB 4.21Å; M14-A59 HydrophobicContact CB-CB 3.91Å; M14-A59 HydrophobicContact CG-CB 3.79Å; W16-A59 HydrophobicContact CZ2-CB 4.38Å; I31-A59 HydrophobicContact CG2-CB 4.31Å
60Y98.3Very high95.6Very high87 Ų8763.8 Ų63.834%0.34134%0.339SS..EExtended strand (participates in β ladder)trans-122.9146.8179.3-59-95000109.7S1 M50 T51 D53 T58S1-Y60 VanDerWaalsContact CB-CD1 3.42Å; S1-Y60 VanDerWaalsContact CB-CE1 3.47Å; M50-Y60 WeakPolarHBondContact CA-O 3.47Å; T51-Y60 PolarHBondContact N-O 3.12Å; T51-Y60 PolarHBondContact O-N 3.09Å; D53-Y60 HydrophobicContact CB-CE2 3.9Å; T58-Y60 HydrophobicContact CG2-CD1 4.48Å; T58-Y60 HydrophobicContact CG2-CD2 4.22Å; T58-Y60 HydrophobicContact CG2-CE1 3.88Å; T58-Y60 HydrophobicContact CG2-CE2 3.6Å
61M97.8Very high95.4Very high28 Ų2864 Ų6414%0.13834%0.342CS..EExtended strand (participates in β ladder)trans-130.9117167.4179.9-176.667.700106.2W16 I28 A48 T49 M50 L63 Y74W16-M61 HydrophobicContact CB-SD 3.68Å; W16-M61 HydrophobicContact CD2-CB 3.72Å; W16-M61 HydrophobicContact CD2-CE 4.19Å; W16-M61 HydrophobicContact CD2-CG 4.4Å; W16-M61 HydrophobicContact CD2-SD 3.91Å; W16-M61 HydrophobicContact CE3-CB 4.09Å; W16-M61 HydrophobicContact CE3-CE 3.78Å; W16-M61 HydrophobicContact CE3-SD 4.13Å; W16-M61 HydrophobicContact CG-CB 4.17Å; W16-M61 HydrophobicContact CG-CG 4.46Å; W16-M61 HydrophobicContact CG-SD 3.73Å; W16-M61 HydrophobicContact CH2-CB 4.21Å; W16-M61 HydrophobicContact CZ2-CB 3.85Å; W16-M61 HydrophobicContact CZ3-CB 4.32Å; W16-M61 HydrophobicContact CZ3-CE 4.36Å; I28-M61 HydrophobicContact CD1-CE 4.05Å; I28-M61 HydrophobicContact CD1-SD 3.83Å; I28-M61 HydrophobicContact CG2-SD 3.94Å; A48-M61 HydrophobicContact CB-CG 4.39Å; T49-M61 CarbonylContact O-C 3.54Å; T49-M61 WeakPolarHBondContact O-CA 3.41Å; M50-M61 HydrophobicContact CE-CG 4.47Å; M50-M61 HydrophobicContact CE-SD 4.17Å; M50-M61 HydrophobicContact CG-CB 4.46Å; M50-M61 HydrophobicContact CG-CG 4.34Å; M61-L63 HydrophobicContact CE-CD1 3.87Å; M61-L63 HydrophobicContact CE-CD2 4.16Å; M61-L63 HydrophobicContact CE-CG 4Å; M61-L63 HydrophobicContact CG-CD2 4.36Å; M61-L63 HydrophobicContact CG-CG 4.44Å; M61-L63 HydrophobicContact SD-CD2 4.15Å; M61-Y74 HydrophobicContact CE-CD1 3.81Å; M61-Y74 HydrophobicContact CE-CE1 4.36Å
62E97.4Very high95.3Very high133 Ų13360.6 Ų60.662%0.62132%0.321SS*.EExtended strand (participates in β ladder)trans-93.8135.6169.8-173.4176.4176.400108.3A48 T49A48-E62 WeakPolarHBondContact CA-O 3.39Å; T49-E62 PolarHBondContact N-O 2.87Å; T49-E62 PolarHBondContact O-N 3.04Å
63L95.9Very high95.2Very high38 Ų3860.5 Ų60.520%0.19932%0.32CS..EExtended strand (participates in β ladder)trans-117.5126.1178.2-70.3173000109K47 A48 M61 L66 Y74 L94K47-L63 CarbonylContact O-C 3.58Å; K47-L63 WeakPolarHBondContact O-CA 3.19Å; A48-L63 HydrophobicContact CB-CD2 3.93Å; M61-L63 HydrophobicContact CE-CD1 3.87Å; M61-L63 HydrophobicContact CE-CD2 4.16Å; M61-L63 HydrophobicContact CE-CG 4Å; M61-L63 HydrophobicContact CG-CD2 4.36Å; M61-L63 HydrophobicContact CG-CG 4.44Å; M61-L63 HydrophobicContact SD-CD2 4.15Å; L63-L66 HydrophobicContact CB-CD1 3.95Å; L63-L66 HydrophobicContact CB-CD2 3.93Å; L63-L66 HydrophobicContact CB-CG 4.15Å; L63-L66 HydrophobicContact CD1-CD2 4.46Å; L63-Y74 HydrophobicContact CD1-CD1 4.15Å; L63-Y74 HydrophobicContact CD1-CE1 3.61Å; L63-Y74 HydrophobicContact CD1-CE2 4.49Å; L63-L94 HydrophobicContact CD1-CD2 3.82Å
64A94.8Very high95.2Very high43 Ų4358.3 Ų58.336%0.35531%0.308SS..  trans-122158.318000000111K47 L66K47-A64 PolarHBondContact O-N 2.82Å; A64-L66 VanDerWaalsContact C-N 3.29Å; A64-L66 PolarHBondContact O-N 2.86Å
65R92.1Very high95.3Very high185 Ų18555.6 Ų55.670%0.69830%0.295SS*.SBendtrans5642.1176.4-58.5179.1-84.7-169.7-10.1112.8D46D46-R65 PolarHBondContact O-NE 2.03Å; D46-R65 PolarHBondContact O-NH2 2.77Å
66L92.8Very high95.4Very high49 Ų4951.1 Ų51.126%0.25726%0.264SS..  trans-73.8145.3-179.2-65.2-178.5000111.9L63 A64 D70 L94 V96L63-L66 HydrophobicContact CB-CD1 3.95Å; L63-L66 HydrophobicContact CB-CD2 3.93Å; L63-L66 HydrophobicContact CB-CG 4.15Å; L63-L66 HydrophobicContact CD1-CD2 4.46Å; A64-L66 VanDerWaalsContact C-N 3.29Å; A64-L66 PolarHBondContact O-N 2.86Å; L66-D70 WeakPolarHBondContact CA-OD2 3.38Å; L66-D70 HydrophobicContact CB-CB 4.36Å; L66-D70 HydrophobicContact CD2-CB 3.74Å; L66-L94 HydrophobicContact CD1-CD2 3.66Å; L66-V96 HydrophobicContact CB-CG1 4.27Å; L66-V96 HydrophobicContact CB-CG2 3.98Å; L66-V96 HydrophobicContact CD1-CG2 4Å
67T93.2Very high95.3Very high64 Ų6449.6 Ų49.639%0.39325%0.253SS..  trans-116.8172.6171.565.80000110.5E69 D70 V96T67-E69 PolarHBondContact O-N 3.28Å; T67-E69 VanDerWaalsContact O-N 3.16Å; T67-D70 PolarHBondContact N-OD2 3.38Å; T67-D70 WeakPolarHBondContact O-CB 3.44Å; T67-D70 PolarHBondContact O-N 3.5Å; T67-V96 WeakPolarHBondContact O-CB 3.4Å
68S92.4Very high95Very high77 Ų7749.4 Ų49.454%0.53825%0.247SC..G310 helixtrans-56.8-30.2177.153.60000113.3D70 S71 V96S68-D70 PolarHBondContact O-N 2.79Å; S68-S71 VanDerWaalsContact O-CB 3.27Å; S68-S71 WeakPolarHBondContact O-CB 3.32Å; S68-S71 PolarHBondContact O-N 3.02Å; S68-S71 VanDerWaalsContact O-N 3.11Å; S68-S71 PolarHBondContact O-OG 2.94Å; S68-V96 WeakPolarHBondContact CA-O 3.14Å
69E89.4Confident94.3Very high159 Ų15952 Ų5274%0.74326%0.257SS*.G310 helixtrans-67-16.4174.7-59.8-180171.900113.7K18 T67 S71K18-E69 PolarHBondContact NZ-O 3.14Å; T67-E69 PolarHBondContact O-N 3.28Å; T67-E69 VanDerWaalsContact O-N 3.16Å; E69-S71 VanDerWaalsContact C-N 3.27Å
70D92.1Very high93.3Very high7 Ų754.5 Ų54.54%0.03727%0.27CS..G310 helixtrans-80.7-8.6173.9-65-49.6000113.1K18 K47 L66 T67 S68 A72 Y74K18-D70 IonicContact NZ-OD1 3.43Å; K18-D70 PolarHBondContact NZ-OD1 3.05Å; K47-D70 IonicContact NZ-OD1 3.19Å; K47-D70 PolarHBondContact NZ-OD1 3.13Å; K47-D70 IonicContact NZ-OD2 2.72Å; K47-D70 PolarHBondContact NZ-OD2 2.56Å; L66-D70 WeakPolarHBondContact CA-OD2 3.38Å; L66-D70 HydrophobicContact CB-CB 4.36Å; L66-D70 HydrophobicContact CD2-CB 3.74Å; T67-D70 PolarHBondContact N-OD2 3.38Å; T67-D70 WeakPolarHBondContact O-CB 3.44Å; T67-D70 PolarHBondContact O-N 3.5Å; S68-D70 PolarHBondContact O-N 2.79Å; D70-A72 PolarHBondContact O-N 2.82Å; D70-A72 VanDerWaalsContact O-N 3.15Å; D70-Y74 PolarHBondContact O-OH 3.12Å
71S94.4Very high91.7Very high16 Ų1655.8 Ų55.811%0.11229%0.287CS..  trans-60.7118.1175-57.20000111.3H21 S68 E69 L94 V96H21-S71 PolarHBondContact CE1-O 3.31Å; H21-S71 PolarHBondContact ND1-O 2.93Å; S68-S71 VanDerWaalsContact O-CB 3.27Å; S68-S71 WeakPolarHBondContact O-CB 3.32Å; S68-S71 PolarHBondContact O-N 3.02Å; S68-S71 VanDerWaalsContact O-N 3.11Å; S68-S71 PolarHBondContact O-OG 2.94Å; E69-S71 VanDerWaalsContact C-N 3.27Å; S71-L94 VanDerWaalsContact CA-O 3.26Å; S71-L94 WeakPolarHBondContact CA-O 3.41Å; S71-V96 PolarHBondContact OG-N 2.66Å; S71-V96 PolarHBondContact OG-O 2.9Å
72A95.7Very high90Very high3 Ų357.9 Ų57.93%0.02532%0.316CS..EExtended strand (participates in β ladder)trans-168.3173.7-169.900000111.4K18 Q19 D70 Y74 L94K18-A72 HydrophobicContact CD-CB 4.09Å; K18-A72 VanDerWaalsContact CE-CB 3.49Å; K18-A72 HydrophobicContact CG-CB 3.47Å; K18-A72 VanDerWaalsContact CG-CB 3.47Å; Q19-A72 VanDerWaalsContact O-CB 3.23Å; Q19-A72 WeakPolarHBondContact O-CB 3.49Å; D70-A72 PolarHBondContact O-N 2.82Å; D70-A72 VanDerWaalsContact O-N 3.15Å; A72-Y74 HydrophobicContact CB-CD2 4.34Å; A72-Y74 HydrophobicContact CB-CE2 3.84Å; A72-L94 PolarHBondContact N-O 2.96Å; A72-L94 PolarHBondContact O-N 2.64Å
73V96.8Very high88.5Confident35 Ų3558.7 Ų58.721%0.21232%0.315CS..EExtended strand (participates in β ladder)trans-93.1129164.1-171.70000108.9Q19 Y75 T92Q19-V73 HydrophobicContact CB-CB 4.48Å; Q19-V73 PolarHBondContact N-O 3.26Å; Q19-V73 PolarHBondContact O-N 3.26Å; Q19-V73 VanDerWaalsContact O-N 3.14Å; V73-Y75 HydrophobicContact CB-CE2 3.8Å; V73-Y75 HydrophobicContact CG1-CD2 4.26Å; V73-Y75 HydrophobicContact CG1-CE1 4.01Å; V73-Y75 HydrophobicContact CG1-CE2 3.52Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.13Å; V73-T92 CarbonylContact C-O 3.49Å; V73-T92 WeakPolarHBondContact CA-O 3.42Å
74Y97.2Very high87.2Confident8 Ų866.4 Ų66.43%0.03134%0.343CS..EExtended strand (participates in β ladder)trans-108.3128.9-179.3-72-97.1000110.2V17 K18 I28 M61 L63 D70 A72 G91 T92 L94V17-Y74 WeakPolarHBondContact O-CA 3.26Å; K18-Y74 HydrophobicContact CB-CD1 4.28Å; K18-Y74 HydrophobicContact CB-CE1 4.04Å; K18-Y74 HydrophobicContact CD-CE1 4.35Å; K18-Y74 HydrophobicContact CG-CD1 4.5Å; K18-Y74 HydrophobicContact CG-CE1 4Å; I28-Y74 HydrophobicContact CD1-CD1 3.64Å; I28-Y74 HydrophobicContact CD1-CE1 3.69Å; M61-Y74 HydrophobicContact CE-CD1 3.81Å; M61-Y74 HydrophobicContact CE-CE1 4.36Å; L63-Y74 HydrophobicContact CD1-CD1 4.15Å; L63-Y74 HydrophobicContact CD1-CE1 3.61Å; L63-Y74 HydrophobicContact CD1-CE2 4.49Å; D70-Y74 PolarHBondContact O-OH 3.12Å; A72-Y74 HydrophobicContact CB-CD2 4.34Å; A72-Y74 HydrophobicContact CB-CE2 3.84Å; Y74-G91 CarbonylContact O-C 3.58Å; Y74-G91 VanDerWaalsContact O-CA 3.23Å; Y74-G91 WeakPolarHBondContact O-CA 3.11Å; Y74-T92 PolarHBondContact N-O 3.41Å; Y74-T92 PolarHBondContact O-N 2.88Å; Y74-L94 HydrophobicContact CD2-CB 3.75Å; Y74-L94 HydrophobicContact CD2-CD2 4.25Å; Y74-L94 HydrophobicContact CE2-CB 3.71Å; Y74-L94 HydrophobicContact CE2-CD2 3.73Å; Y74-L94 HydrophobicContact CE2-CG 4.29Å
75Y96.9Very high86.3Confident46 Ų4668 Ų6818%0.1834%0.341CS..EExtended strand (participates in β ladder)trans-116.4147.1-178.3-58.9-91.4000110.4W16 V17 Q19 V73 W88 G89W16-Y75 WeakPolarHBondContact CA-O 3.43Å; V17-Y75 PolarHBondContact N-O 2.85Å; V17-Y75 PolarHBondContact O-N 2.93Å; Q19-Y75 HydrophobicContact CB-CD2 4.31Å; Q19-Y75 HydrophobicContact CB-CE2 3.64Å; Q19-Y75 PolarHBondContact OE1-OH 3.15Å; V73-Y75 HydrophobicContact CB-CE2 3.8Å; V73-Y75 HydrophobicContact CG1-CD2 4.26Å; V73-Y75 HydrophobicContact CG1-CE1 4.01Å; V73-Y75 HydrophobicContact CG1-CE2 3.52Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.13Å; Y75-W88 HydrophobicContact CD1-CE3 4.5Å; Y75-W88 HydrophobicContact CG-CE3 4.18Å; Y75-W88 HydrophobicContact CG-CZ3 4.36Å; Y75-G89 WeakPolarHBondContact CD1-O 3.2Å
76C96.3Very high85.6Confident16 Ų1662.7 Ų62.711%0.10833%0.327CS..EExtended strand (participates in β ladder)trans-102.3145.1158.260.30000109.5C2 M14 H15 W16 G89C2-C76 HydrophobicContact CB-CB 3.4Å; C2-C76 WeakPolarHBondContact CB-SG 3.4Å; C2-C76 WeakPolarHBondContact SG-CB 3.36Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 3.38Å; M14-C76 HydrophobicContact CG-CB 4.3Å; M14-C76 HydrophobicContact SD-CB 3.77Å; H15-C76 CarbonylContact O-C 3.47Å; H15-C76 VanDerWaalsContact O-CA 3.24Å; H15-C76 WeakPolarHBondContact O-CA 3.25Å; W16-C76 HydrophobicContact CD2-CB 4.43Å; W16-C76 HydrophobicContact CE3-CB 4.05Å; W16-C76 HydrophobicContact CH2-CB 4.15Å; W16-C76 HydrophobicContact CZ3-CB 3.91Å; C76-G89 PolarHBondContact O-N 3.46Å
77A94.8Very high85.4Confident1 Ų167.4 Ų67.41%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-135.3135.7176.600000110.3H15 F85 Y87 W88H15-A77 HydrophobicContact CB-CB 4.43Å; H15-A77 PolarHBondContact N-O 3.47Å; H15-A77 PolarHBondContact O-N 3.46Å; A77-F85 HydrophobicContact CB-CB 4.41Å; A77-F85 HydrophobicContact CB-CD1 3.99Å; A77-F85 HydrophobicContact CB-CG 4.21Å; A77-Y87 CarbonylContact C-O 3.6Å; A77-Y87 VanDerWaalsContact CA-O 3.28Å; A77-Y87 WeakPolarHBondContact CA-O 3.11Å; A77-W88 HydrophobicContact CB-CD2 3.7Å; A77-W88 HydrophobicContact CB-CE3 3.93Å; A77-W88 HydrophobicContact CB-CG 4.15Å; A77-W88 HydrophobicContact CB-CH2 4.38Å; A77-W88 HydrophobicContact CB-CZ2 4.16Å; A77-W88 HydrophobicContact CB-CZ3 4.27Å
78R91.2Very high85.4Confident34 Ų3469.4 Ų69.413%0.12834%0.343CS..EExtended strand (participates in β ladder)trans-88.1138.4176-171.4-16876.6178.112109.7Y7 Y12 D86 Y87Y7-R78 VanDerWaalsContact CE2-CD 3.5Å; Y7-R78 HydrophobicContact CE2-CG 4.25Å; Y12-R78 HydrophobicContact CD1-CG 3.66Å; Y12-R78 HydrophobicContact CE1-CG 4.42Å; Y12-R78 HydrophobicContact CG-CG 3.87Å; R78-D86 PolarHBondContact O-N 3.15Å; R78-Y87 PolarHBondContact N-O 3.07Å
79K83.9Confident85.4Confident64 Ų6467.1 Ų67.128%0.27833%0.332SS..EExtended strand (participates in β ladder)trans-136.6133.5171.4168.3166.6162.2148.70111.3A13 Y83 F85A13-K79 PolarHBondContact N-O 2.57Å; A13-K79 PolarHBondContact O-N 3.17Å; A13-K79 VanDerWaalsContact O-N 3.09Å; K79-Y83 WeakPolarHBondContact CD-O 3.23Å; K79-Y83 WeakPolarHBondContact CE-O 3.34Å; K79-Y83 PolarHBondContact NZ-O 3.22Å; K79-F85 HydrophobicContact CB-CD1 3.86Å; K79-F85 HydrophobicContact CB-CE1 4.05Å; K79-F85 HydrophobicContact CD-CD1 4.33Å; K79-F85 HydrophobicContact CD-CE1 4.02Å
80L75.9Confident85.7Confident52 Ų5268.4 Ų68.427%0.27234%0.338SS..EExtended strand (participates in β ladder)trans-75.4140.6166.2-163.678.6000108.7Y12 G82 Y83Y12-L80 HydrophobicContact CD1-CB 3.96Å; Y12-L80 HydrophobicContact CD1-CD1 3.71Å; Y12-L80 HydrophobicContact CD1-CG 4.45Å; Y12-L80 HydrophobicContact CE1-CB 3.76Å; Y12-L80 HydrophobicContact CE1-CD1 3.25Å; Y12-L80 HydrophobicContact CE1-CG 4.1Å; Y12-L80 HydrophobicContact CE2-CD1 4.17Å; Y12-L80 HydrophobicContact CG-CD1 4.36Å; Y12-L80 VanDerWaalsContact CZ-CD1 3.5Å; L80-G82 PolarHBondContact O-N 3.41Å; L80-G82 VanDerWaalsContact O-N 3.07Å; L80-Y83 HydrophobicContact CB-CD2 4.09Å; L80-Y83 HydrophobicContact CD2-CD2 3.64Å; L80-Y83 HydrophobicContact CD2-CE2 3.81Å; L80-Y83 HydrophobicContact CG-CD2 4.19Å; L80-Y83 PolarHBondContact O-N 2.94Å
81T64.4Low85.8Confident113 Ų11369.7 Ų69.769%0.69335%0.352SS*.THydrogen-bonded Turntrans-53.1118.3177.744.40000110.2
82G62.3Low85.9Confident73 Ų7373.3 Ų73.375%0.75337%0.374SS*.THydrogen-bonded Turntrans92.7-4.2-177.700000117.5L80L80-G82 PolarHBondContact O-N 3.41Å; L80-G82 VanDerWaalsContact O-N 3.07Å
83Y66.3Low85.9Confident149 Ų14977.8 Ų77.858%0.58440%0.401SS*.SBendtrans-116.4-178-176.4-68.8-89.3000114.2K79 L80K79-Y83 WeakPolarHBondContact CD-O 3.23Å; K79-Y83 WeakPolarHBondContact CE-O 3.34Å; K79-Y83 PolarHBondContact NZ-O 3.22Å; L80-Y83 HydrophobicContact CB-CD2 4.09Å; L80-Y83 HydrophobicContact CD2-CD2 3.64Å; L80-Y83 HydrophobicContact CD2-CE2 3.81Å; L80-Y83 HydrophobicContact CG-CD2 4.19Å; L80-Y83 PolarHBondContact O-N 2.94Å
84Y68.4Low85.8Confident201 Ų20178.8 Ų78.879%0.78841%0.405SS*.  trans-77.6177176.7-68.3-78.9000112.1D86Y84-D86 PolarHBondContact O-N 2.82Å
85F75.6Confident85.7Confident75 Ų7583.8 Ų83.833%0.32944%0.436SS..EExtended strand (participates in β ladder)trans-73.9103.3172.5-65.4-51.3000109.8H15 A77 K79 W88H15-F85 HydrophobicContact CB-CD1 4.44Å; H15-F85 HydrophobicContact CB-CE1 3.68Å; H15-F85 HydrophobicContact CB-CZ 4.12Å; H15-F85 AromaticContact CD2-CE1 3.45Å; H15-F85 VanDerWaalsContact CD2-CE1 3.45Å; H15-F85 WeakPolarHBondContact CD2-CE1 3.38Å; H15-F85 AromaticContact CE1-CE1 3.67Å; H15-F85 AromaticContact CE1-CZ 3.98Å; H15-F85 AromaticContact CG-CE1 3.25Å; H15-F85 AromaticContact CG-CZ 3.79Å; H15-F85 AromaticContact ND1-CE1 3.39Å; H15-F85 WeakPolarHBondContact ND1-CE1 3.42Å; H15-F85 AromaticContact ND1-CZ 3.53Å; H15-F85 AromaticContact NE2-CE1 3.7Å; A77-F85 HydrophobicContact CB-CB 4.41Å; A77-F85 HydrophobicContact CB-CD1 3.99Å; A77-F85 HydrophobicContact CB-CG 4.21Å; K79-F85 HydrophobicContact CB-CD1 3.86Å; K79-F85 HydrophobicContact CB-CE1 4.05Å; K79-F85 HydrophobicContact CD-CD1 4.33Å; K79-F85 HydrophobicContact CD-CE1 4.02Å; F85-W88 HydrophobicContact CB-CZ2 4.14Å; F85-W88 AromaticContact CD2-CZ2 3.72Å; F85-W88 HydrophobicContact CD2-CZ2 3.72Å; F85-W88 HydrophobicContact CE2-CZ2 4.46Å; F85-W88 HydrophobicContact CG-CZ2 4.07Å
86D77.7Confident85.6Confident75 Ų7583 Ų8340%0.40144%0.436SS..EExtended strand (participates in β ladder)trans-80.8-32.8-172.9-56.3-39.7000112.2R78 Y84R78-D86 PolarHBondContact O-N 3.15Å; Y84-D86 PolarHBondContact O-N 2.82Å
87Y87.9Confident85.3Confident148 Ų14887.3 Ų87.358%0.5847%0.467SS*.EExtended strand (participates in β ladder)trans-142.9137.3-175.8-67.1-92.2000111.7A77 R78A77-Y87 CarbonylContact C-O 3.6Å; A77-Y87 VanDerWaalsContact CA-O 3.28Å; A77-Y87 WeakPolarHBondContact CA-O 3.11Å; R78-Y87 PolarHBondContact N-O 3.07Å
88W93.3Very high84.6Confident106 Ų10696 Ų9640%0.40253%0.527SS..EExtended strand (participates in β ladder)trans-117141.4177.8-69.572.7000110.3V17 L25 Y75 A77 F85V17-W88 HydrophobicContact CB-CH2 4.09Å; V17-W88 HydrophobicContact CB-CZ3 3.79Å; V17-W88 HydrophobicContact CG1-CH2 4.1Å; V17-W88 HydrophobicContact CG1-CZ3 4.05Å; V17-W88 HydrophobicContact CG2-CH2 3.7Å; V17-W88 HydrophobicContact CG2-CZ3 3.8Å; L25-W88 HydrophobicContact CD1-CH2 4.48Å; Y75-W88 HydrophobicContact CD1-CE3 4.5Å; Y75-W88 HydrophobicContact CG-CE3 4.18Å; Y75-W88 HydrophobicContact CG-CZ3 4.36Å; A77-W88 HydrophobicContact CB-CD2 3.7Å; A77-W88 HydrophobicContact CB-CE3 3.93Å; A77-W88 HydrophobicContact CB-CG 4.15Å; A77-W88 HydrophobicContact CB-CH2 4.38Å; A77-W88 HydrophobicContact CB-CZ2 4.16Å; A77-W88 HydrophobicContact CB-CZ3 4.27Å; F85-W88 HydrophobicContact CB-CZ2 4.14Å; F85-W88 AromaticContact CD2-CZ2 3.72Å; F85-W88 HydrophobicContact CD2-CZ2 3.72Å; F85-W88 HydrophobicContact CE2-CZ2 4.46Å; F85-W88 HydrophobicContact CG-CZ2 4.07Å
89G93.9Very high84.2Confident29 Ų2999.1 Ų99.130%0.29955%0.547SS..  trans-67.6163.2164.900000111.1Y75 C76 G91Y75-G89 WeakPolarHBondContact CD1-O 3.2Å; C76-G89 PolarHBondContact O-N 3.46Å; G89-G91 PolarHBondContact O-N 3.46Å; G89-G91 VanDerWaalsContact O-N 3.09Å
90Q94.7Very high84.2Confident186 Ų186100.9 Ų100.987%0.86956%0.561SS**  trans-63.7-14.5178.8-66.4-63.8-40.800113.8
91G95.1Very high84.7Confident33 Ų33103.7 Ų103.734%0.3458%0.577SS.*  trans84.8157.2-17400000112.3Y74 G89Y74-G91 CarbonylContact O-C 3.58Å; Y74-G91 VanDerWaalsContact O-CA 3.23Å; Y74-G91 WeakPolarHBondContact O-CA 3.11Å; G89-G91 PolarHBondContact O-N 3.46Å; G89-G91 VanDerWaalsContact O-N 3.09Å
92T96.5Very high85.9Confident92 Ų92103.1 Ų103.156%0.56457%0.571SS**EExtended strand (participates in β ladder)trans-131.2131.3172.8-1700000109.4V73 Y74V73-T92 CarbonylContact C-O 3.49Å; V73-T92 WeakPolarHBondContact CA-O 3.42Å; Y74-T92 PolarHBondContact N-O 3.41Å; Y74-T92 PolarHBondContact O-N 2.88Å
93T96.1Very high87.4Confident98 Ų98105 Ų10560%0.60156%0.559SS**EExtended strand (participates in β ladder)trans-76.9129.6174.1-57.60000109.2
94L94.7Very high88.8Confident56 Ų56102.1 Ų102.129%0.29356%0.558SS.*EExtended strand (participates in β ladder)trans-118.1124170-179.764.8000107.9L63 L66 S71 A72 Y74 V96L63-L94 HydrophobicContact CD1-CD2 3.82Å; L66-L94 HydrophobicContact CD1-CD2 3.66Å; S71-L94 VanDerWaalsContact CA-O 3.26Å; S71-L94 WeakPolarHBondContact CA-O 3.41Å; A72-L94 PolarHBondContact N-O 2.96Å; A72-L94 PolarHBondContact O-N 2.64Å; Y74-L94 HydrophobicContact CD2-CB 3.75Å; Y74-L94 HydrophobicContact CD2-CD2 4.25Å; Y74-L94 HydrophobicContact CE2-CB 3.71Å; Y74-L94 HydrophobicContact CE2-CD2 3.73Å; Y74-L94 HydrophobicContact CE2-CG 4.29Å; L94-V96 HydrophobicContact CG-CG2 4.41Å
95T94.9Very high90.2Very high112 Ų11295 Ų9569%0.68754%0.541SS*.  trans-115.7128.9177.4-55.50000108.8
96V93.4Very high91.4Very high30 Ų3096.5 Ų96.518%0.18256%0.557CS.*  trans-119117.2178-175.10000107.6L66 T67 S68 S71 L94L66-V96 HydrophobicContact CB-CG1 4.27Å; L66-V96 HydrophobicContact CB-CG2 3.98Å; L66-V96 HydrophobicContact CD1-CG2 4Å; T67-V96 WeakPolarHBondContact O-CB 3.4Å; S68-V96 WeakPolarHBondContact CA-O 3.14Å; S71-V96 PolarHBondContact OG-N 2.66Å; S71-V96 PolarHBondContact OG-O 2.9Å; L94-V96 HydrophobicContact CG-CG2 4.41Å
97S89.9Confident92.5Very high107 Ų10798.3 Ų98.375%0.74857%0.57SS**  trans-107.3150174.856.50000110.4
98S79.9Confident92.9Very high183 Ų18393.8 Ų93.8100%1.2857%0.57SS**  trans-71.80171.257.20000112.5

Retrieved 98 of 98 residues in 21.5 ms (Link to these results)

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