X5J5Q0_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5Q0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 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
1P62.6Low84.8Confident142 Ų14291.2 Ų91.292%0.92253%0.525SS*.  0122.602.118.7000109.9L108P1-L108 CarbonylContact C-O 3.56Å; P1-L108 VanDerWaalsContact CA-O 3.24Å; P1-L108 WeakPolarHBondContact CA-O 3.34Å; P1-L108 HydrophobicContact CB-CB 4.36Å
2E75.5Confident85.7Confident84 Ų8484.1 Ų84.139%0.39348%0.484SS..  trans-112.6107.8-178.1-163.8174.6166.800109.6V4 V10 L108E2-V4 HydrophobicContact CG-CG1 4.01Å; E2-V10 HydrophobicContact CG-CG2 4.32Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.24Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.43Å; E2-L108 PolarHBondContact N-O 3.17Å
3L80.3Confident86.5Confident176 Ų17683.8 Ų83.892%0.92149%0.49SS*.  trans-85.8116.3178.1-166.994.1000109.5
4V83.5Confident87.2Confident41 Ų4178.9 Ų78.925%0.24846%0.462CS..  trans-123.4144.7-175.4-68.50000111.6E2 A8 V10 L78 V109E2-V4 HydrophobicContact CG-CG1 4.01Å; V4-A8 HydrophobicContact CB-CB 4.5Å; V4-V10 HydrophobicContact CG1-CB 4.49Å; V4-L78 HydrophobicContact CB-CD1 4.23Å; V4-L78 HydrophobicContact CG2-CD1 3.36Å; V4-V109 HydrophobicContact CG2-CG1 3.76Å
5K84Confident87.7Confident176 Ų17684.3 Ų84.377%0.76548%0.478SS*.  trans-70.9146.8176.5-65.9-177.6-178.9-179.80110.3G7 A8K5-G7 PolarHBondContact O-N 3.23Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.17Å
6P85.3Confident88Confident113 Ų11379.7 Ų79.773%0.73445%0.453SS*.THydrogen-bonded Turntrans-52.5141.5169-25.634.6000111.6A8 L78P6-A8 PolarHBondContact O-N 3.3Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.47Å
7G86.7Confident88.2Confident53 Ų5381.5 Ų81.555%0.54647%0.472SS..THydrogen-bonded Turntrans80.8-13.3-174.800000114.7K5 L78K5-G7 PolarHBondContact O-N 3.23Å; G7-L78 PolarHBondContact N-O 3Å
8A91.2Very high88.2Confident36 Ų3681.7 Ų81.730%0.29849%0.494SS..  trans-70.2169.1175.300000111.9V4 K5 P6 S77 L78V4-A8 HydrophobicContact CB-CB 4.5Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.17Å; P6-A8 PolarHBondContact O-N 3.3Å; A8-S77 PolarHBondContact O-N 2.81Å; A8-L78 WeakPolarHBondContact O-CG 3.23Å; A8-L78 PolarHBondContact O-N 3.19Å
9S94.1Very high88.2Confident58 Ų5880.7 Ų80.741%0.40648%0.481SS..  trans-114.5141.4170.5-58.70000109.6L75 R76S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.35Å; S9-L75 VanDerWaalsContact CB-O 3.25Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; S9-R76 WeakPolarHBondContact OG-CA 3.49Å
10V94.6Very high88.4Confident1 Ų180.7 Ų80.71%0.00648%0.482CS..EExtended strand (participates in β ladder)trans-112.8146.8174.368.10000110.1E2 V4 M12 K74 L75 L78 V109E2-V10 HydrophobicContact CG-CG2 4.32Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.24Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.43Å; V4-V10 HydrophobicContact CG1-CB 4.49Å; V10-M12 HydrophobicContact CG1-CG 4.3Å; V10-M12 HydrophobicContact CG2-CG 4.42Å; V10-K74 CarbonylContact O-C 3.49Å; V10-K74 VanDerWaalsContact O-CA 3.27Å; V10-K74 WeakPolarHBondContact O-CA 3.49Å; V10-L75 HydrophobicContact CG1-CB 3.9Å; V10-L75 HydrophobicContact CG1-CD1 4.24Å; V10-L75 HydrophobicContact CG1-CG 4.48Å; V10-L75 PolarHBondContact N-O 3.29Å; V10-L75 PolarHBondContact O-N 3.17Å; V10-L78 HydrophobicContact CB-CD1 3.97Å; V10-L78 HydrophobicContact CG1-CD1 3.82Å; V10-L78 HydrophobicContact CG1-CD2 4.42Å; V10-V109 HydrophobicContact CB-CG1 4.36Å; V10-V109 HydrophobicContact CG1-CG1 4.05Å; V10-V109 HydrophobicContact CG2-CG1 4.36Å; V10-V109 HydrophobicContact CG2-CG2 4.35Å
11K95.4Very high88.5Confident123 Ų12377.2 Ų77.254%0.53546%0.461SS..EExtended strand (participates in β ladder)trans-121.5115.6172.2-174.8-177.4176.3-174.10109.9Y72 M73K11-Y72 HydrophobicContact CD-CD1 4.49Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.49Å; K11-M73 WeakPolarHBondContact CA-O 3.42Å
12M95.2Very high89.9Confident6 Ų672.4 Ų72.43%0.0343%0.429CS..EExtended strand (participates in β ladder)trans-100.6150.4-177.2-33.3-173.572.200109.2V10 W28 Y72 M73 L75 Y86 T107 V109V10-M12 HydrophobicContact CG1-CG 4.3Å; V10-M12 HydrophobicContact CG2-CG 4.42Å; M12-W28 HydrophobicContact CB-CH2 3.97Å; M12-W28 HydrophobicContact CB-CZ3 3.85Å; M12-Y72 WeakPolarHBondContact O-CA 3.47Å; M12-Y72 WeakPolarHBondContact O-CB 3.32Å; M12-M73 HydrophobicContact CG-CE 4.33Å; M12-M73 PolarHBondContact N-O 2.96Å; M12-M73 PolarHBondContact O-N 2.98Å; M12-M73 HydrophobicContact SD-CE 3.23Å; M12-M73 WeakPolarHBondContact SD-CE 3.43Å; M12-L75 HydrophobicContact SD-CD1 4.27Å; M12-Y86 HydrophobicContact CE-CD2 3.79Å; M12-Y86 HydrophobicContact CE-CG 3.69Å; M12-Y86 HydrophobicContact SD-CD1 4.24Å; M12-Y86 HydrophobicContact SD-CD2 4.2Å; M12-Y86 HydrophobicContact SD-CG 3.82Å; M12-T107 HydrophobicContact CE-CG2 3.11Å; M12-V109 HydrophobicContact CE-CG2 3.37Å; M12-V109 HydrophobicContact SD-CG2 4.34Å
13S96.3Very high90.6Very high81 Ų8172.3 Ų72.357%0.56643%0.431SS*.EExtended strand (participates in β ladder)trans-129.9145.5178.175.70000111.7A71 Y72S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; S13-Y72 VanDerWaalsContact CB-CD1 3.43Å
14C95.9Very high91.1Very high15 Ų1567 Ų6710%0.10140%0.399CS..EExtended strand (participates in β ladder)trans-132.9108174-179.30000108.4W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; C14-A71 PolarHBondContact N-O 3.45Å; C14-A71 PolarHBondContact O-N 2.8Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.76Å
15K95.4Very high91.5Very high159 Ų15966 Ų6669%0.69139%0.392SS*.EExtended strand (participates in β ladder)trans-92.3124.1-179.6-172.4177.2-179-1780109.7T70K15-T70 HydrophobicContact CB-CG2 4.4Å
16A92.3Very high92Very high11 Ų1157.8 Ų57.89%0.09136%0.357CS..  trans-74.2146.4173.300000111Y19 F21 S69A16-Y19 HydrophobicContact CB-CE1 3.78Å; A16-Y19 HydrophobicContact CB-CE2 3.96Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.37Å; A16-F21 HydrophobicContact CB-CB 4.08Å; A16-F21 HydrophobicContact CB-CD2 3.4Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 3.98Å; A16-S69 PolarHBondContact N-O 3.39Å
17S90.5Very high92.5Very high110 Ų11053.2 Ų53.277%0.76933%0.325SS*.  trans-148.7140176.7-173.80000109.5Y19S17-Y19 WeakPolarHBondContact O-CD1 3.49Å
18G89.3Confident93Very high85 Ų8551 Ų5188%0.87630%0.301SS*.SBendtrans78.515.4175.300000115.9
19Y87.4Confident93.3Very high63 Ų6349.4 Ų49.425%0.24729%0.287CS..SBendtrans-159.4163.8175.264-87.1000112.6A16 S17 F21 Y24 R90A16-Y19 HydrophobicContact CB-CE1 3.78Å; A16-Y19 HydrophobicContact CB-CE2 3.96Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.37Å; S17-Y19 WeakPolarHBondContact O-CD1 3.49Å; Y19-F21 HydrophobicContact CE2-CD2 4.34Å; Y19-F21 PolarHBondContact O-N 2.71Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; Y19-Y24 AromaticContact CD2-CD2 3.48Å; Y19-Y24 HydrophobicContact CD2-CD2 3.48Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.48Å; Y19-Y24 AromaticContact CD2-CE2 3.71Å; Y19-Y24 HydrophobicContact CD2-CE2 3.71Å; Y19-Y24 HydrophobicContact CD2-CG 4.37Å; Y19-Y24 AromaticContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CE2 4.44Å; Y19-Y24 HydrophobicContact CE2-CG 4.31Å; Y19-Y24 HydrophobicContact CG-CD2 4.5Å; Y19-Y24 HydrophobicContact CG-CE2 4.36Å; Y19-R90 VanDerWaalsContact CE2-CD 3.41Å; Y19-R90 HydrophobicContact CE2-CG 4.42Å
20T91.6Very high93.3Very high80 Ų8047.2 Ų47.249%0.49127%0.27SS..  trans-68.9104.4171.6-53.60000110.2T22 D23T20-T22 WeakPolarHBondContact CG2-OG1 3.41Å; T20-T22 PolarHBondContact O-N 2.86Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.49Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.41Å; T20-D23 PolarHBondContact O-N 2.97Å; T20-D23 VanDerWaalsContact O-N 3.08Å
21F91.9Very high93.3Very high8 Ų850.6 Ų50.64%0.03529%0.286CS..G310 helixtrans-56.7-30.6-172.7178.6-128.1000114.3A16 Y19 D23 M26 P45 V64 S69 A71A16-F21 HydrophobicContact CB-CB 4.08Å; A16-F21 HydrophobicContact CB-CD2 3.4Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 3.98Å; Y19-F21 HydrophobicContact CE2-CD2 4.34Å; Y19-F21 PolarHBondContact O-N 2.71Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; F21-D23 VanDerWaalsContact C-N 3.31Å; F21-D23 PolarHBondContact O-N 3.11Å; F21-M26 HydrophobicContact CE2-CE 3.96Å; F21-P45 HydrophobicContact CD1-CB 3.75Å; F21-P45 HydrophobicContact CD1-CG 4.29Å; F21-P45 HydrophobicContact CD2-CB 4.49Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.51Å; F21-P45 HydrophobicContact CE1-CG 3.91Å; F21-P45 HydrophobicContact CE2-CB 4.27Å; F21-P45 HydrophobicContact CE2-CG 3.76Å; F21-P45 HydrophobicContact CG-CB 4.27Å; F21-P45 HydrophobicContact CG-CG 4.43Å; F21-P45 HydrophobicContact CZ-CB 3.79Å; F21-P45 HydrophobicContact CZ-CG 3.63Å; F21-P45 WeakPolarHBondContact O-CG 3.03Å; F21-V64 HydrophobicContact CE1-CB 4.35Å; F21-V64 HydrophobicContact CE1-CG1 4.31Å; F21-V64 HydrophobicContact CZ-CG1 4.08Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CZ-CB 4.05Å
22T92.4Very high93.2Very high41 Ų4145.3 Ų45.325%0.25227%0.265SS..G310 helixtrans-74.9-16-178.949.30000114.3T20 Y24 N46T20-T22 WeakPolarHBondContact CG2-OG1 3.41Å; T20-T22 PolarHBondContact O-N 2.86Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T22-Y24 PolarHBondContact O-N 3.12Å; T22-N46 WeakPolarHBondContact O-CB 3.3Å
23D90.3Very high92.9Very high82 Ų8252.2 Ų52.244%0.43930%0.297SS..G310 helixtrans-85.15-174.4-61.3-5.2000112.7T20 F21 Y93T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.49Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.41Å; T20-D23 PolarHBondContact O-N 2.97Å; T20-D23 VanDerWaalsContact O-N 3.08Å; F21-D23 VanDerWaalsContact C-N 3.31Å; F21-D23 PolarHBondContact O-N 3.11Å; D23-Y93 WeakPolarHBondContact O-CD2 3.42Å
24Y89.3Confident92.3Very high64 Ų6452.9 Ų52.925%0.25132%0.316SS..EExtended strand (participates in β ladder)trans-140.8149-173.6-61.1-94.1000111.9Y19 T22 P45 R90Y19-Y24 AromaticContact CD2-CD2 3.48Å; Y19-Y24 HydrophobicContact CD2-CD2 3.48Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.48Å; Y19-Y24 AromaticContact CD2-CE2 3.71Å; Y19-Y24 HydrophobicContact CD2-CE2 3.71Å; Y19-Y24 HydrophobicContact CD2-CG 4.37Å; Y19-Y24 AromaticContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CE2 4.44Å; Y19-Y24 HydrophobicContact CE2-CG 4.31Å; Y19-Y24 HydrophobicContact CG-CD2 4.5Å; Y19-Y24 HydrophobicContact CG-CE2 4.36Å; T22-Y24 PolarHBondContact O-N 3.12Å; Y24-P45 WeakPolarHBondContact O-CD 3.24Å; Y24-P45 WeakPolarHBondContact O-CG 3.17Å; Y24-R90 VanDerWaalsContact CB-CG 3.44Å; Y24-R90 HydrophobicContact CD1-CG 3.51Å; Y24-R90 HydrophobicContact CD2-CG 4.49Å; Y24-R90 HydrophobicContact CE1-CG 4.42Å; Y24-R90 VanDerWaalsContact CG-CD 3.46Å; Y24-R90 HydrophobicContact CG-CG 3.57Å
25N92.5Very high91.6Very high21 Ų2158.9 Ų58.911%0.11234%0.341CS..EExtended strand (participates in β ladder)trans-79.3138.8165.7-71.1-55.3000110H27 Y42 N44 R91 Y93N25-H27 WeakPolarHBondContact CB-NE2 3.33Å; N25-Y42 HydrophobicContact CB-CD2 3.92Å; N25-Y42 HydrophobicContact CB-CG 4.42Å; N25-Y42 WeakPolarHBondContact OD1-CD2 3.15Å; N25-Y42 WeakPolarHBondContact OD1-CE2 3.19Å; N25-N44 WeakPolarHBondContact OD1-CA 3.21Å; N25-N44 WeakPolarHBondContact OD1-CB 3.4Å; N25-R91 PolarHBondContact N-O 2.83Å; N25-R91 PolarHBondContact O-N 3.03Å; N25-Y93 PolarHBondContact OD1-OH 3.1Å
26M94.9Very high91.3Very high4 Ų455.8 Ų55.82%0.0234%0.339CS..EExtended strand (participates in β ladder)trans-99.3114.7170.6-172.461.268.100109.6F21 Y42 I43 A71 C88 A89F21-M26 HydrophobicContact CE2-CE 3.96Å; M26-Y42 CarbonylContact O-C 3.5Å; M26-Y42 WeakPolarHBondContact O-CA 3.23Å; M26-Y42 WeakPolarHBondContact O-CB 3.42Å; M26-I43 HydrophobicContact CB-CG2 4.14Å; M26-I43 PolarHBondContact N-O 3.14Å; M26-I43 PolarHBondContact O-N 3.31Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.57Å; M26-C88 HydrophobicContact CG-CB 4.47Å; M26-C88 HydrophobicContact SD-CB 3.73Å; M26-A89 VanDerWaalsContact SD-O 3.42Å
27H95.8Very high91.3Very high16 Ų1659.4 Ų59.47%0.07436%0.357CS..EExtended strand (participates in β ladder)trans-97.2149.6178.7-65.2-108.6000110.6N25 W39 G41 Y42 C88 A89 F100N25-H27 WeakPolarHBondContact CB-NE2 3.33Å; H27-W39 AromaticContact CG-NE1 3.91Å; H27-W39 AromaticContact ND1-CD1 3.99Å; H27-W39 AromaticContact ND1-CE2 3.93Å; H27-W39 AromaticContact ND1-NE1 3.15Å; H27-W39 PolarHBondContact ND1-NE1 2.76Å; H27-W39 VanDerWaalsContact ND1-NE1 3.15Å; H27-G41 WeakPolarHBondContact CA-O 3.44Å; H27-Y42 AromaticContact CE1-CD1 3.98Å; H27-Y42 AromaticContact CE1-CG 3.94Å; H27-Y42 WeakPolarHBondContact ND1-CB 3.09Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 WeakPolarHBondContact O-CA 3.17Å; H27-A89 HydrophobicContact CB-CB 4.45Å; H27-A89 PolarHBondContact N-O 3.23Å; H27-A89 PolarHBondContact O-N 3.19Å; H27-F100 HydrophobicContact CB-CD1 4.21Å; H27-F100 HydrophobicContact CB-CE1 3.53Å; H27-F100 HydrophobicContact CB-CZ 4Å; H27-F100 AromaticContact CD2-CE1 3.57Å; H27-F100 AromaticContact CE1-CE1 3.77Å; H27-F100 AromaticContact CG-CE1 3.2Å; H27-F100 AromaticContact CG-CZ 3.85Å; H27-F100 AromaticContact ND1-CE1 3.33Å; H27-F100 VanDerWaalsContact ND1-CE1 3.33Å; H27-F100 WeakPolarHBondContact ND1-CE1 3.45Å; H27-F100 AromaticContact ND1-CZ 3.64Å; H27-F100 AromaticContact NE2-CE1 3.91Å
28W97.1Very high91.5Very high6 Ų656.1 Ų56.12%0.02333%0.329CS..EExtended strand (participates in β ladder)trans-119.6136.8173.6-68.287.2000109.7M12 C14 I40 G41 L62 A71 M73 Y87 C88M12-W28 HydrophobicContact CB-CH2 3.97Å; M12-W28 HydrophobicContact CB-CZ3 3.85Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.25Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 2.79Å; W28-G41 PolarHBondContact N-O 3.1Å; W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; W28-A71 HydrophobicContact CZ2-CB 4.29Å; W28-M73 HydrophobicContact CB-CE 4.47Å; W28-M73 HydrophobicContact CB-SD 3.79Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.22Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.04Å; W28-M73 HydrophobicContact CE3-CB 3.84Å; W28-M73 HydrophobicContact CE3-CE 3.69Å; W28-M73 HydrophobicContact CE3-SD 4.13Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 3.91Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.06Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; W28-Y87 WeakPolarHBondContact CA-O 3.34Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.35Å; W28-C88 HydrophobicContact CH2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.34Å
29V96.3Very high91.8Very high3 Ų355.6 Ų55.62%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-138.2137.7-173.5-176.70000109.1L37 E38 Y86 Y87 F100 W103V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.41Å; V29-E38 WeakPolarHBondContact CG1-O 3.49Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.5Å; V29-Y87 PolarHBondContact N-O 2.86Å; V29-Y87 PolarHBondContact O-N 2.83Å; V29-F100 HydrophobicContact CG2-CE2 4.48Å; V29-W103 HydrophobicContact CB-CH2 4.1Å; V29-W103 HydrophobicContact CB-CZ3 3.76Å; V29-W103 HydrophobicContact CG1-CH2 4.02Å; V29-W103 HydrophobicContact CG1-CZ3 3.98Å; V29-W103 HydrophobicContact CG2-CH2 3.75Å; V29-W103 HydrophobicContact CG2-CZ3 3.74Å
30K95.5Very high92.2Very high12 Ų1252.6 Ų52.65%0.05229%0.289CS..EExtended strand (participates in β ladder)trans-103.9136.7175.4-176.1-177.7177.7-170.90109.8S32 E38 I40 F56 E81 D82 A84 Y86K30-S32 WeakPolarHBondContact CE-OG 3.37Å; K30-E38 HydrophobicContact CB-CB 4.44Å; K30-E38 PolarHBondContact N-O 2.82Å; K30-E38 PolarHBondContact O-N 2.6Å; K30-I40 HydrophobicContact CB-CD1 4.06Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 4.05Å; K30-F56 HydrophobicContact CD-CZ 3.96Å; K30-E81 PolarHBondContact NZ-O 3.1Å; K30-D82 IonicContact NZ-OD1 2.8Å; K30-A84 HydrophobicContact CD-CB 4.11Å; K30-A84 VanDerWaalsContact CE-CB 3.5Å; K30-A84 HydrophobicContact CG-CB 3.48Å; K30-A84 VanDerWaalsContact CG-CB 3.48Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.24Å; K30-Y86 HydrophobicContact CG-CE1 3.69Å
31Q95.1Very high92.5Very high73 Ų7348.8 Ų48.834%0.34127%0.266SS..EExtended strand (participates in β ladder)trans-120.2103168-165.9179.528.300109.3L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.73Å; Q31-L37 HydrophobicContact CG-CD2 3.89Å; Q31-A84 WeakPolarHBondContact O-CA 3.39Å; Q31-A84 VanDerWaalsContact O-CB 3.24Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; Q31-V85 PolarHBondContact N-O 3.45Å; Q31-V85 PolarHBondContact O-N 2.79Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.78Å; Q31-Y87 PolarHBondContact OE1-OH 2.95Å
32S93Very high92.7Very high12 Ų1251.9 Ų51.98%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-78.7152.5174.2-48.50000109.8K30 G34 K35K30-S32 WeakPolarHBondContact CE-OG 3.37Å; S32-G34 PolarHBondContact O-N 3.48Å; S32-K35 PolarHBondContact O-N 3.43Å
33H88.1Confident92.9Very high150 Ų15050.1 Ų50.169%0.69427%0.266SS*.THydrogen-bonded Turntrans-52.6122.9178.2-83.8-122000111.5K35H33-K35 PolarHBondContact O-N 2.89Å
34G83Confident93.1Very high95 Ų9546.9 Ų46.998%0.97925%0.249SC*.THydrogen-bonded Turntrans68.61017900000115.6S32S32-G34 PolarHBondContact O-N 3.48Å
35K83.1Confident93.4Very high141 Ų14143.8 Ų43.861%0.61324%0.237SC*.SBendtrans-113.1161.3178.5-59.4-168-178.7176.20112.3S32 H33S32-K35 PolarHBondContact O-N 3.43Å; H33-K35 PolarHBondContact O-N 2.89Å
36S87.9Confident93.4Very high94 Ų9447.2 Ų47.266%0.65726%0.255SS*.  trans-63.3162.5170.759.70000111.9E38S36-E38 PolarHBondContact O-N 2.57Å
37L92.6Very high93.4Very high88 Ų8852.4 Ų52.446%0.46128%0.283SS..EExtended strand (participates in β ladder)trans-63.6129.2172-66.1172000110.6V29 Q31 Y87 W103V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 3.73Å; Q31-L37 HydrophobicContact CG-CD2 3.89Å; L37-Y87 HydrophobicContact CD2-CD2 4.49Å; L37-W103 HydrophobicContact CD1-CH2 3.94Å; L37-W103 HydrophobicContact CD1-CZ2 4.43Å
38E94.6Very high93.3Very high40 Ų4053.4 Ų53.419%0.18730%0.297CS..EExtended strand (participates in β ladder)trans-110.3116.4175.6-68.2-172108.500109.9V29 K30 S36 I40 K55 F56V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.41Å; V29-E38 WeakPolarHBondContact CG1-O 3.49Å; K30-E38 HydrophobicContact CB-CB 4.44Å; K30-E38 PolarHBondContact N-O 2.82Å; K30-E38 PolarHBondContact O-N 2.6Å; S36-E38 PolarHBondContact O-N 2.57Å; E38-I40 PolarHBondContact O-N 2.78Å; E38-K55 IonicContact OE1-NZ 3.85Å; E38-K55 PolarHBondContact OE1-NZ 3.36Å; E38-F56 HydrophobicContact CB-CE2 4.5Å
39W95.1Very high93.2Very high75 Ų7554.5 Ų54.528%0.28431%0.31SS..EExtended strand (participates in β ladder)trans-70.8126.8175.2179.970.7000110.8H27 G41 Y42 N53 F100H27-W39 AromaticContact CG-NE1 3.91Å; H27-W39 AromaticContact ND1-CD1 3.99Å; H27-W39 AromaticContact ND1-CE2 3.93Å; H27-W39 AromaticContact ND1-NE1 3.15Å; H27-W39 PolarHBondContact ND1-NE1 2.76Å; H27-W39 VanDerWaalsContact ND1-NE1 3.15Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 3.02Å; W39-Y42 HydrophobicContact CH2-CD1 4.36Å; W39-Y42 AromaticContact CZ2-CD1 3.79Å; W39-Y42 HydrophobicContact CZ2-CD1 3.79Å; W39-Y42 HydrophobicContact CZ2-CG 4.49Å; W39-N53 HydrophobicContact CE3-CB 3.92Å; W39-N53 HydrophobicContact CZ3-CB 4.1Å; W39-N53 WeakPolarHBondContact O-CB 3.31Å; W39-N53 PolarHBondContact O-ND2 2.97Å; W39-F100 AromaticContact CD1-CZ 3.94Å
40I96.8Very high93.3Very high0 Ų057.4 Ų57.40%033%0.328CS..EExtended strand (participates in β ladder)trans-89.5-49-178.6-63.6171000110.5W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.25Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 2.79Å; K30-I40 HydrophobicContact CB-CD1 4.06Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; E38-I40 PolarHBondContact O-N 2.78Å; I40-N53 PolarHBondContact O-N 2.86Å; I40-F56 HydrophobicContact CB-CD2 4.21Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.1Å; I40-F56 HydrophobicContact CG1-CD2 4.09Å; I40-F56 HydrophobicContact CG1-CE1 4.01Å; I40-F56 HydrophobicContact CG1-CE2 3.99Å; I40-F56 HydrophobicContact CG1-CG 4.14Å; I40-F56 HydrophobicContact CG1-CZ 3.95Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.17Å; I40-F56 HydrophobicContact CG2-CD2 4.28Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; I40-A60 HydrophobicContact CG2-CB 3.85Å; I40-M73 HydrophobicContact CD1-CE 3.78Å; I40-M73 HydrophobicContact CD1-SD 3.65Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41G96.5Very high93.3Very high0 Ų059 Ų590%034%0.341CS..EExtended strand (participates in β ladder)trans171175.8-168.700000112.5H27 W28 W39 S51H27-G41 WeakPolarHBondContact CA-O 3.44Å; W28-G41 PolarHBondContact N-O 3.1Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 3.02Å; G41-S51 CarbonylContact C-O 3.55Å; G41-S51 WeakPolarHBondContact CA-O 3.27Å
42Y96.3Very high93.4Very high73 Ų7358.4 Ų58.429%0.28634%0.336SS..EExtended strand (participates in β ladder)trans-137.2156.6169.281.9-100.9000111.1N25 M26 H27 W39 N44 T50 S51 L62N25-Y42 HydrophobicContact CB-CD2 3.92Å; N25-Y42 HydrophobicContact CB-CG 4.42Å; N25-Y42 WeakPolarHBondContact OD1-CD2 3.15Å; N25-Y42 WeakPolarHBondContact OD1-CE2 3.19Å; M26-Y42 CarbonylContact O-C 3.5Å; M26-Y42 WeakPolarHBondContact O-CA 3.23Å; M26-Y42 WeakPolarHBondContact O-CB 3.42Å; H27-Y42 AromaticContact CE1-CD1 3.98Å; H27-Y42 AromaticContact CE1-CG 3.94Å; H27-Y42 WeakPolarHBondContact ND1-CB 3.09Å; W39-Y42 HydrophobicContact CH2-CD1 4.36Å; W39-Y42 AromaticContact CZ2-CD1 3.79Å; W39-Y42 HydrophobicContact CZ2-CD1 3.79Å; W39-Y42 HydrophobicContact CZ2-CG 4.49Å; Y42-N44 HydrophobicContact CE2-CB 4.42Å; Y42-T50 VanDerWaalsContact O-CA 3.29Å; Y42-T50 WeakPolarHBondContact O-CA 3.01Å; Y42-S51 PolarHBondContact N-O 3.21Å; Y42-S51 PolarHBondContact O-N 2.97Å; Y42-S51 VanDerWaalsContact O-N 3.07Å; Y42-L62 VanDerWaalsContact C-CD1 3.47Å; Y42-L62 WeakPolarHBondContact O-CD1 3.01Å
43I96.4Very high93.5Very high4 Ų460.1 Ų60.12%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-126.3133.1167.5-174.9156.6000109.8M26 P45 G49 T50 L62 V64 A71M26-I43 HydrophobicContact CB-CG2 4.14Å; M26-I43 PolarHBondContact N-O 3.14Å; M26-I43 PolarHBondContact O-N 3.31Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.05Å; I43-G49 WeakPolarHBondContact CA-O 3.38Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.72Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; I43-L62 HydrophobicContact CB-CB 4Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.21Å; I43-L62 HydrophobicContact CG2-CB 4.3Å; I43-V64 HydrophobicContact CB-CG1 4.41Å; I43-V64 HydrophobicContact CD1-CB 4.41Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.14Å; I43-V64 HydrophobicContact CG1-CG1 3.83Å; I43-V64 HydrophobicContact CG2-CG1 3.69Å; I43-A71 HydrophobicContact CG2-CB 4.42Å
44N95Very high93.8Very high13 Ų1361.2 Ų61.27%0.0735%0.35CS..  trans-83.3111.5171.1176.6-22000108.5N25 Y42 N46 N47 G48 G49 Y93N25-N44 WeakPolarHBondContact OD1-CA 3.21Å; N25-N44 WeakPolarHBondContact OD1-CB 3.4Å; Y42-N44 HydrophobicContact CE2-CB 4.42Å; N44-N46 VanDerWaalsContact C-N 3.26Å; N44-N46 PolarHBondContact O-N 2.82Å; N44-N46 WeakPolarHBondContact OD1-CA 2.99Å; N44-N46 WeakPolarHBondContact OD1-CB 3.47Å; N44-N46 PolarHBondContact OD1-N 2.9Å; N44-N47 VanDerWaalsContact CB-OD1 3.3Å; N44-N47 WeakPolarHBondContact CB-OD1 3.44Å; N44-N47 VanDerWaalsContact ND2-CG 3.29Å; N44-N47 PolarHBondContact ND2-ND2 3.15Å; N44-N47 PolarHBondContact ND2-OD1 2.92Å; N44-N47 PolarHBondContact OD1-N 3.1Å; N44-G48 WeakPolarHBondContact O-CA 3.41Å; N44-G48 PolarHBondContact O-N 3.29Å; N44-G49 PolarHBondContact N-O 2.77Å; N44-Y93 PolarHBondContact ND2-OH 2.84Å; N44-Y93 PolarHBondContact OD1-OH 3.38Å
45P95.1Very high94.3Very high0 Ų063.6 Ų63.60%033%0.333CS..THydrogen-bonded Turntrans-69.9-19.8179.4-17.533.5000113.9F21 Y24 I43 V64 K66F21-P45 HydrophobicContact CD1-CB 3.75Å; F21-P45 HydrophobicContact CD1-CG 4.29Å; F21-P45 HydrophobicContact CD2-CB 4.49Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.51Å; F21-P45 HydrophobicContact CE1-CG 3.91Å; F21-P45 HydrophobicContact CE2-CB 4.27Å; F21-P45 HydrophobicContact CE2-CG 3.76Å; F21-P45 HydrophobicContact CG-CB 4.27Å; F21-P45 HydrophobicContact CG-CG 4.43Å; F21-P45 HydrophobicContact CZ-CB 3.79Å; F21-P45 HydrophobicContact CZ-CG 3.63Å; F21-P45 WeakPolarHBondContact O-CG 3.03Å; Y24-P45 WeakPolarHBondContact O-CD 3.24Å; Y24-P45 WeakPolarHBondContact O-CG 3.17Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.05Å; P45-V64 HydrophobicContact CB-CG1 4.13Å; P45-V64 HydrophobicContact CG-CG1 4.23Å; P45-K66 WeakPolarHBondContact O-CD 3.19Å; P45-K66 WeakPolarHBondContact O-CE 3.41Å
46N93.9Very high94.8Very high93 Ų9357.2 Ų57.250%0.49731%0.306SS..THydrogen-bonded Turntrans-70.5-51.7177.1-172.620.5000111.8T22 N44 K66T22-N46 WeakPolarHBondContact O-CB 3.3Å; N44-N46 VanDerWaalsContact C-N 3.26Å; N44-N46 PolarHBondContact O-N 2.82Å; N44-N46 WeakPolarHBondContact OD1-CA 2.99Å; N44-N46 WeakPolarHBondContact OD1-CB 3.47Å; N44-N46 PolarHBondContact OD1-N 2.9Å; N46-K66 PolarHBondContact O-NZ 2.85Å
47N93.8Very high95.1Very high113 Ų11360.3 Ų60.360%0.60431%0.307SS*.THydrogen-bonded Turntrans-115.4-3-174.568.217.5000114.9N44 G49N44-N47 VanDerWaalsContact CB-OD1 3.3Å; N44-N47 WeakPolarHBondContact CB-OD1 3.44Å; N44-N47 VanDerWaalsContact ND2-CG 3.29Å; N44-N47 PolarHBondContact ND2-ND2 3.15Å; N44-N47 PolarHBondContact ND2-OD1 2.92Å; N44-N47 PolarHBondContact OD1-N 3.1Å; N47-G49 PolarHBondContact O-N 3.37Å; N47-G49 WeakPolarHBondContact OD1-CA 3.17Å; N47-G49 PolarHBondContact OD1-N 2.86Å
48G94.1Very high95.1Very high36 Ų3659.4 Ų59.437%0.37132%0.319SS..  trans76.24.2-178.400000114.6N44N44-G48 WeakPolarHBondContact O-CA 3.41Å; N44-G48 PolarHBondContact O-N 3.29Å
49G95.6Very high95.1Very high29 Ų2959.9 Ų59.930%0.29932%0.321SS..  trans-59.8137.1177.500000111.4I43 N44 N47I43-G49 WeakPolarHBondContact CA-O 3.38Å; N44-G49 PolarHBondContact N-O 2.77Å; N47-G49 PolarHBondContact O-N 3.37Å; N47-G49 WeakPolarHBondContact OD1-CA 3.17Å; N47-G49 PolarHBondContact OD1-N 2.86Å
50T96.8Very high95.2Very high64 Ų6456.5 Ų56.539%0.39331%0.309SS..EExtended strand (participates in β ladder)trans-127.1147-178.453.20000111.4Y42 I43 Y52 L62Y42-T50 VanDerWaalsContact O-CA 3.29Å; Y42-T50 WeakPolarHBondContact O-CA 3.01Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.72Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.12Å; T50-L62 HydrophobicContact CG2-CB 4.14Å
51S96.1Very high95.2Very high47 Ų4758.4 Ų58.433%0.32932%0.321SS..EExtended strand (participates in β ladder)trans-133.2148.5167.5-173.30000109.2G41 Y42G41-S51 CarbonylContact C-O 3.55Å; G41-S51 WeakPolarHBondContact CA-O 3.27Å; Y42-S51 PolarHBondContact N-O 3.21Å; Y42-S51 PolarHBondContact O-N 2.97Å; Y42-S51 VanDerWaalsContact O-N 3.07Å
52Y96.9Very high95.3Very high59 Ų5958.8 Ų58.823%0.23132%0.323CS..EExtended strand (participates in β ladder)trans-133.7144.2-175.1-63-93.2000110.1T50 A60 L62T50-Y52 WeakPolarHBondContact OG1-CE2 3.12Å; Y52-A60 HydrophobicContact CD1-CB 4.39Å; Y52-A60 HydrophobicContact CE1-CB 4.19Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 3.39Å; Y52-L62 VanDerWaalsContact OH-N 3.09Å
53N95.8Very high95.4Very high48 Ų4858.4 Ų58.426%0.25733%0.328SS..  trans-66.1138.4157.8-179.1-29.5000109W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.92Å; W39-N53 HydrophobicContact CZ3-CB 4.1Å; W39-N53 WeakPolarHBondContact O-CB 3.31Å; W39-N53 PolarHBondContact O-ND2 2.97Å; I40-N53 PolarHBondContact O-N 2.86Å; N53-K55 PolarHBondContact O-N 3.05Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 3.3Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-F56 HydrophobicContact CB-CD2 4.1Å; N53-F56 PolarHBondContact O-N 3.49Å; N53-K57 PolarHBondContact O-N 2.89Å; N53-K57 VanDerWaalsContact O-N 3.15Å
54Q94.8Very high95.4Very high173 Ų17360 Ų6081%0.80834%0.337SS*.G310 helixtrans-52.6-37-178-69.7-174.8-12.400112.9F56 K57Q54-F56 PolarHBondContact O-N 2.78Å; Q54-K57 PolarHBondContact O-N 3.33Å
55K92.6Very high95.5Very high145 Ų14562.3 Ų62.363%0.6335%0.35SS*.G310 helixtrans-59-30.7178.3-66.1-172.5-174.3-177.50113.8E38 N53E38-K55 IonicContact OE1-NZ 3.85Å; E38-K55 PolarHBondContact OE1-NZ 3.36Å; N53-K55 PolarHBondContact O-N 3.05Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 3.3Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å
56F94.4Very high95.4Very high7 Ų767.7 Ų67.73%0.03137%0.374CS..G310 helixtrans-106.5-4.9-175-61.5-83.8000112.8K30 E38 I40 N53 Q54 G58 K59 A60K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 4.05Å; K30-F56 HydrophobicContact CD-CZ 3.96Å; E38-F56 HydrophobicContact CB-CE2 4.5Å; I40-F56 HydrophobicContact CB-CD2 4.21Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.1Å; I40-F56 HydrophobicContact CG1-CD2 4.09Å; I40-F56 HydrophobicContact CG1-CE1 4.01Å; I40-F56 HydrophobicContact CG1-CE2 3.99Å; I40-F56 HydrophobicContact CG1-CG 4.14Å; I40-F56 HydrophobicContact CG1-CZ 3.95Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.17Å; I40-F56 HydrophobicContact CG2-CD2 4.28Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; N53-F56 HydrophobicContact CB-CD2 4.1Å; N53-F56 PolarHBondContact O-N 3.49Å; Q54-F56 PolarHBondContact O-N 2.78Å; F56-G58 PolarHBondContact O-N 3.24Å; F56-K59 PolarHBondContact O-N 2.89Å; F56-A60 HydrophobicContact CB-CB 4.26Å; F56-A60 PolarHBondContact O-N 3.15Å
57K93.5Very high95.4Very high160 Ų16068.7 Ų68.770%0.69639%0.387SS*.BIsolated β-bridgetrans-62.1124.1176.1-166.2174.6-176.9179.70109.1N53 Q54 K59N53-K57 PolarHBondContact O-N 2.89Å; N53-K57 VanDerWaalsContact O-N 3.15Å; Q54-K57 PolarHBondContact O-N 3.33Å; K57-K59 VanDerWaalsContact C-N 3.28Å; K57-K59 PolarHBondContact O-N 3.03Å
58G92.3Very high95.5Very high69 Ų6965.1 Ų65.171%0.71137%0.372SS*.THydrogen-bonded Turntrans88-23.5-175.200000114.7F56F56-G58 PolarHBondContact O-N 3.24Å
59K94.9Very high95.6Very high49 Ų4965.3 Ų65.321%0.21337%0.367CS..THydrogen-bonded Turntrans-90.2-43.1175.6-163.6170.5-167.2173.70112.6F56 K57 R76 D82F56-K59 PolarHBondContact O-N 2.89Å; K57-K59 VanDerWaalsContact C-N 3.28Å; K57-K59 PolarHBondContact O-N 3.03Å; K59-R76 WeakPolarHBondContact CG-O 3.18Å; K59-R76 PolarHBondContact O-N 2.93Å; K59-D82 WeakPolarHBondContact CE-OD1 3.4Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 2.78Å; K59-D82 PolarHBondContact NZ-OD1 3.17Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 3.13Å
60A97.1Very high95.6Very high5 Ų564.3 Ų64.34%0.04136%0.355CS..EExtended strand (participates in β ladder)trans-94142.1176.700000111.3I40 Y52 F56 M73 K74 L75I40-A60 HydrophobicContact CG2-CB 3.85Å; Y52-A60 HydrophobicContact CD1-CB 4.39Å; Y52-A60 HydrophobicContact CE1-CB 4.19Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; F56-A60 HydrophobicContact CB-CB 4.26Å; F56-A60 PolarHBondContact O-N 3.15Å; A60-M73 HydrophobicContact CB-SD 4.46Å; A60-K74 CarbonylContact C-O 3.5Å; A60-K74 WeakPolarHBondContact CA-O 3.29Å; A60-L75 HydrophobicContact CB-CD2 3.85Å
61T98Very high95.7Very high40 Ų4061.2 Ų61.225%0.24534%0.336CS..EExtended strand (participates in β ladder)trans-125.2119.6167-53.50000108.3T63 M73 K74 R76T61-T63 HydrophobicContact CG2-CG2 4.29Å; T61-M73 CarbonylContact O-C 3.59Å; T61-M73 WeakPolarHBondContact O-CA 3.43Å; T61-K74 PolarHBondContact N-O 2.88Å; T61-K74 PolarHBondContact O-N 2.93Å; T61-R76 PolarHBondContact OG1-NH2 2.99Å
62L98.1Very high95.7Very high8 Ų861.4 Ų61.44%0.04233%0.33CS..EExtended strand (participates in β ladder)trans-98.1133.2177.2-53.3-176.7000110.3W28 Y42 I43 T50 Y52 Y72 M73W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; Y42-L62 VanDerWaalsContact C-CD1 3.47Å; Y42-L62 WeakPolarHBondContact O-CD1 3.01Å; I43-L62 HydrophobicContact CB-CB 4Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.21Å; I43-L62 HydrophobicContact CG2-CB 4.3Å; T50-L62 HydrophobicContact CG2-CB 4.14Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 3.39Å; Y52-L62 VanDerWaalsContact OH-N 3.09Å; L62-Y72 WeakPolarHBondContact CA-O 3.4Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.05Å
63T97.8Very high95.8Very high64 Ų6458.6 Ų58.639%0.39332%0.319SS..EExtended strand (participates in β ladder)trans-138.9163.917565.60000111T61 A71 Y72T61-T63 HydrophobicContact CG2-CG2 4.29Å; T63-A71 CarbonylContact O-C 3.58Å; T63-Y72 PolarHBondContact N-O 2.95Å; T63-Y72 PolarHBondContact O-N 3.03Å
64V97.2Very high95.9Very high37 Ų3760.5 Ų60.522%0.22433%0.325CS..EExtended strand (participates in β ladder)trans-134147.3176.8-71.10000110.4F21 I43 P45 T70 A71F21-V64 HydrophobicContact CE1-CB 4.35Å; F21-V64 HydrophobicContact CE1-CG1 4.31Å; F21-V64 HydrophobicContact CZ-CG1 4.08Å; I43-V64 HydrophobicContact CB-CG1 4.41Å; I43-V64 HydrophobicContact CD1-CB 4.41Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.14Å; I43-V64 HydrophobicContact CG1-CG1 3.83Å; I43-V64 HydrophobicContact CG2-CG1 3.69Å; P45-V64 HydrophobicContact CB-CG1 4.13Å; P45-V64 HydrophobicContact CG-CG1 4.23Å; V64-T70 CarbonylContact C-O 3.44Å; V64-T70 WeakPolarHBondContact CA-O 3.36Å; V64-A71 HydrophobicContact CG1-CB 4.17Å
65N96.3Very high95.9Very high63 Ų6352.2 Ų52.234%0.33729%0.287SS..EExtended strand (participates in β ladder)trans-116109.7163.2-177.3-1.9000108.3S67 S68 S69 T70 Y72N65-S67 PolarHBondContact OD1-N 3.05Å; N65-S67 PolarHBondContact OD1-OG 3.47Å; N65-S68 WeakPolarHBondContact CB-OG 3.44Å; N65-S68 PolarHBondContact ND2-OG 2.92Å; N65-S69 PolarHBondContact O-N 3.27Å; N65-S69 VanDerWaalsContact O-N 3.11Å; N65-T70 PolarHBondContact N-O 2.8Å; N65-T70 PolarHBondContact O-N 2.03Å; N65-Y72 HydrophobicContact CB-CE2 3.95Å
66K93.8Very high96Very high113 Ų11350.7 Ų50.749%0.49128%0.277SS..THydrogen-bonded Turntrans-69.4-37-177.2-55.6-170-163-171.90112P45 N46 S68 S69P45-K66 WeakPolarHBondContact O-CD 3.19Å; P45-K66 WeakPolarHBondContact O-CE 3.41Å; N46-K66 PolarHBondContact O-NZ 2.85Å; K66-S68 VanDerWaalsContact C-N 3.31Å; K66-S68 PolarHBondContact O-N 3.16Å; K66-S69 PolarHBondContact O-N 3.03Å; K66-S69 VanDerWaalsContact O-N 3.12Å
67S93Very high95.9Very high113 Ų11354.2 Ų54.279%0.7930%0.302SS*.THydrogen-bonded Turntrans-66.3-35.2-17764.50000112.1N65N65-S67 PolarHBondContact OD1-N 3.05Å; N65-S67 PolarHBondContact OD1-OG 3.47Å
68S95.8Very high95.9Very high39 Ų3946.9 Ų46.927%0.27327%0.271SS..THydrogen-bonded Turntrans-93.50.9175.6740000113.8N65 K66 T70N65-S68 WeakPolarHBondContact CB-OG 3.44Å; N65-S68 PolarHBondContact ND2-OG 2.92Å; K66-S68 VanDerWaalsContact C-N 3.31Å; K66-S68 PolarHBondContact O-N 3.16Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-OG1 2.87Å; S68-T70 WeakPolarHBondContact OG-CB 3.25Å; S68-T70 PolarHBondContact OG-OG1 2.8Å
69S96.1Very high95.8Very high40 Ų4046.7 Ų46.728%0.2826%0.256SS..THydrogen-bonded Turntrans48.946-173.2-64.80000113A16 F21 N65 K66A16-S69 PolarHBondContact N-O 3.39Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; N65-S69 PolarHBondContact O-N 3.27Å; N65-S69 VanDerWaalsContact O-N 3.11Å; K66-S69 PolarHBondContact O-N 3.03Å; K66-S69 VanDerWaalsContact O-N 3.12Å
70T97.3Very high95.5Very high7 Ų749.5 Ų49.54%0.04328%0.281CS..EExtended strand (participates in β ladder)trans-124.8128.3-173.9-47.70000111.3C14 K15 V64 N65 S68 Y72C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; K15-T70 HydrophobicContact CB-CG2 4.4Å; V64-T70 CarbonylContact C-O 3.44Å; V64-T70 WeakPolarHBondContact CA-O 3.36Å; N65-T70 PolarHBondContact N-O 2.8Å; N65-T70 PolarHBondContact O-N 2.03Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-OG1 2.87Å; S68-T70 WeakPolarHBondContact OG-CB 3.25Å; S68-T70 PolarHBondContact OG-OG1 2.8Å; T70-Y72 HydrophobicContact CG2-CD1 4.36Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.37Å
71A97.3Very high95.1Very high0 Ų056.5 Ų56.50%031%0.313CS..EExtended strand (participates in β ladder)trans-92.8149.6166.800000110.1S13 C14 F21 M26 W28 I43 T63 V64S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 PolarHBondContact N-O 3.45Å; C14-A71 PolarHBondContact O-N 2.8Å; F21-A71 HydrophobicContact CZ-CB 4.05Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.57Å; W28-A71 HydrophobicContact CZ2-CB 4.29Å; I43-A71 HydrophobicContact CG2-CB 4.42Å; T63-A71 CarbonylContact O-C 3.58Å; V64-A71 HydrophobicContact CG1-CB 4.17Å
72Y97.8Very high94.8Very high51 Ų5155 Ų5520%0.230%0.304CS..EExtended strand (participates in β ladder)trans-130.6147.1176.5-56.9-87.9000110.8K11 M12 S13 L62 T63 N65 T70K11-Y72 HydrophobicContact CD-CD1 4.49Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.49Å; M12-Y72 WeakPolarHBondContact O-CA 3.47Å; M12-Y72 WeakPolarHBondContact O-CB 3.32Å; S13-Y72 VanDerWaalsContact CB-CD1 3.43Å; L62-Y72 WeakPolarHBondContact CA-O 3.4Å; T63-Y72 PolarHBondContact N-O 2.95Å; T63-Y72 PolarHBondContact O-N 3.03Å; N65-Y72 HydrophobicContact CB-CE2 3.95Å; T70-Y72 HydrophobicContact CG2-CD1 4.36Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.37Å
73M97.7Very high94.5Very high0 Ų057.5 Ų57.50%032%0.322CS..EExtended strand (participates in β ladder)trans-123.6125.6167177.2172.271.800108.5K11 M12 W28 I40 A60 T61 L62 L75 Y86K11-M73 WeakPolarHBondContact CA-O 3.42Å; M12-M73 HydrophobicContact CG-CE 4.33Å; M12-M73 PolarHBondContact N-O 2.96Å; M12-M73 PolarHBondContact O-N 2.98Å; M12-M73 HydrophobicContact SD-CE 3.23Å; M12-M73 WeakPolarHBondContact SD-CE 3.43Å; W28-M73 HydrophobicContact CB-CE 4.47Å; W28-M73 HydrophobicContact CB-SD 3.79Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.22Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.04Å; W28-M73 HydrophobicContact CE3-CB 3.84Å; W28-M73 HydrophobicContact CE3-CE 3.69Å; W28-M73 HydrophobicContact CE3-SD 4.13Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 3.91Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.06Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; I40-M73 HydrophobicContact CD1-CE 3.78Å; I40-M73 HydrophobicContact CD1-SD 3.65Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; A60-M73 HydrophobicContact CB-SD 4.46Å; T61-M73 CarbonylContact O-C 3.59Å; T61-M73 WeakPolarHBondContact O-CA 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.05Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.41Å; M73-L75 HydrophobicContact CE-CG 4.07Å; M73-L75 HydrophobicContact CG-CD2 4.48Å; M73-L75 HydrophobicContact CG-CG 4.34Å; M73-L75 HydrophobicContact SD-CD2 4.21Å; M73-L75 HydrophobicContact SD-CG 4.36Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.19Å; M73-Y86 HydrophobicContact CE-CG 4.27Å
74K97.3Very high94.4Very high87 Ų8754.4 Ų54.438%0.37830%0.303SS..EExtended strand (participates in β ladder)trans-103.4120168.5-174.6177.4-178176.70108.9V10 A60 T61 R76V10-K74 CarbonylContact O-C 3.49Å; V10-K74 VanDerWaalsContact O-CA 3.27Å; V10-K74 WeakPolarHBondContact O-CA 3.49Å; A60-K74 CarbonylContact C-O 3.5Å; A60-K74 WeakPolarHBondContact CA-O 3.29Å; T61-K74 PolarHBondContact N-O 2.88Å; T61-K74 PolarHBondContact O-N 2.93Å; K74-R76 HydrophobicContact CG-CG 4.5Å
75L95.9Very high94.3Very high0 Ų054.2 Ų54.20%030%0.302CS..EExtended strand (participates in β ladder)trans-98.4135.8169-66.3168.9000108.7S9 V10 M12 A60 M73 L78 Y86S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.35Å; S9-L75 VanDerWaalsContact CB-O 3.25Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; V10-L75 HydrophobicContact CG1-CB 3.9Å; V10-L75 HydrophobicContact CG1-CD1 4.24Å; V10-L75 HydrophobicContact CG1-CG 4.48Å; V10-L75 PolarHBondContact N-O 3.29Å; V10-L75 PolarHBondContact O-N 3.17Å; M12-L75 HydrophobicContact SD-CD1 4.27Å; A60-L75 HydrophobicContact CB-CD2 3.85Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.41Å; M73-L75 HydrophobicContact CE-CG 4.07Å; M73-L75 HydrophobicContact CG-CD2 4.48Å; M73-L75 HydrophobicContact CG-CG 4.34Å; M73-L75 HydrophobicContact SD-CD2 4.21Å; M73-L75 HydrophobicContact SD-CG 4.36Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.2Å; L75-Y86 HydrophobicContact CD1-CD1 4.21Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 4.27Å
76R94.8Very high94.3Very high113 Ų11351.3 Ų51.343%0.42629%0.286SS..  trans-112.3154.3-178.6-56.3-178.1-168.4-170.93.9110.9S9 K59 T61 K74 L78S9-R76 WeakPolarHBondContact OG-CA 3.49Å; K59-R76 WeakPolarHBondContact CG-O 3.18Å; K59-R76 PolarHBondContact O-N 2.93Å; T61-R76 PolarHBondContact OG1-NH2 2.99Å; K74-R76 HydrophobicContact CG-CG 4.5Å; R76-L78 PolarHBondContact O-N 2.82Å
77S93Very high94.4Very high80 Ų8048.2 Ų48.256%0.55927%0.272SS*.SBendtrans50.754.9172.8-52.40000112A8A8-S77 PolarHBondContact O-N 2.81Å
78L92.1Very high94.5Very high7 Ų743.5 Ų43.54%0.03724%0.239CC..  trans-62.3138.3-174.8-68.8170.5000111.5V4 P6 G7 A8 V10 L75 R76 D82 V109V4-L78 HydrophobicContact CB-CD1 4.23Å; V4-L78 HydrophobicContact CG2-CD1 3.36Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.47Å; G7-L78 PolarHBondContact N-O 3Å; A8-L78 WeakPolarHBondContact O-CG 3.23Å; A8-L78 PolarHBondContact O-N 3.19Å; V10-L78 HydrophobicContact CB-CD1 3.97Å; V10-L78 HydrophobicContact CG1-CD1 3.82Å; V10-L78 HydrophobicContact CG1-CD2 4.42Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.2Å; R76-L78 PolarHBondContact O-N 2.82Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.11Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; L78-V109 HydrophobicContact CD1-CG1 4.3Å
79T91.6Very high94.4Very high64 Ų6441.8 Ų41.839%0.39323%0.227SC..  trans-115.6169.2173.663.50000109.7E81 D82T79-E81 PolarHBondContact O-N 3.07Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.49Å; T79-D82 PolarHBondContact O-N 3.09Å; T79-D82 PolarHBondContact OG1-OD2 3.08Å
80S88.3Confident94.1Very high108 Ų10841.1 Ų41.176%0.75522%0.218SC*.G310 helixtrans-56-30.7174.449.90000112.6D82 S83S80-D82 PolarHBondContact O-N 2.81Å; S80-S83 WeakPolarHBondContact O-CB 2.88Å; S80-S83 PolarHBondContact O-N 2.92Å
81E88.2Confident93.4Very high153 Ų15345.2 Ų45.272%0.71523%0.233SC*.G310 helixtrans-66.8-19.5176.5-60.1-177.6168.700113.4K30 T79 S83K30-E81 PolarHBondContact NZ-O 3.1Å; T79-E81 PolarHBondContact O-N 3.07Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82D91.5Very high92.1Very high8 Ų845.7 Ų45.74%0.04324%0.238CC..G310 helixtrans-82.3-7.4176.4-59.8-48.4000113.4K30 K59 L78 T79 S80 A84 Y86K30-D82 IonicContact NZ-OD1 2.8Å; K59-D82 WeakPolarHBondContact CE-OD1 3.4Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 2.78Å; K59-D82 PolarHBondContact NZ-OD1 3.17Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 3.13Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.11Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.49Å; T79-D82 PolarHBondContact O-N 3.09Å; T79-D82 PolarHBondContact OG1-OD2 3.08Å; S80-D82 PolarHBondContact O-N 2.81Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-Y86 WeakPolarHBondContact O-CE2 3.16Å; D82-Y86 PolarHBondContact O-OH 3.29Å
83S92.5Very high90.6Very high60 Ų6047 Ų4742%0.4224%0.243SC..  trans-67.1113.3177.3-169.90000110.3S80 E81 V109S80-S83 WeakPolarHBondContact O-CB 2.88Å; S80-S83 PolarHBondContact O-N 2.92Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-V109 VanDerWaalsContact CA-O 3.29Å; S83-V109 WeakPolarHBondContact CA-O 3.47Å; S83-V109 PolarHBondContact OG-O 3.1Å
84A94.4Very high88.9Confident0 Ų057 Ų570%028%0.282CS..EExtended strand (participates in β ladder)trans-168.2163.5-167.700000110.9K30 Q31 D82 Y86 V109K30-A84 HydrophobicContact CD-CB 4.11Å; K30-A84 VanDerWaalsContact CE-CB 3.5Å; K30-A84 HydrophobicContact CG-CB 3.48Å; K30-A84 VanDerWaalsContact CG-CB 3.48Å; Q31-A84 WeakPolarHBondContact O-CA 3.39Å; Q31-A84 VanDerWaalsContact O-CB 3.24Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-A84 VanDerWaalsContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.43Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; A84-Y86 WeakPolarHBondContact O-CD2 3.47Å; A84-Y86 WeakPolarHBondContact O-CE2 3.48Å; A84-V109 PolarHBondContact N-O 2.87Å; A84-V109 VanDerWaalsContact N-O 3.12Å; A84-V109 PolarHBondContact O-N 2.77Å; A84-V109 VanDerWaalsContact O-N 3.11Å
85V95.3Very high87.1Confident33 Ų3355.5 Ų55.520%0.228%0.278CS..EExtended strand (participates in β ladder)trans-85.4129.5164.2-170.60000108.5Q31 Y87 T107 L108Q31-V85 PolarHBondContact N-O 3.45Å; Q31-V85 PolarHBondContact O-N 2.79Å; V85-Y87 HydrophobicContact CB-CE2 3.8Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 3.94Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.46Å; V85-T107 WeakPolarHBondContact CA-O 3.04Å; V85-L108 HydrophobicContact CG2-CD1 4.13Å
86Y96Very high85.2Confident2 Ų264.9 Ų64.91%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-109.8130.9178.4-68.1-90.8000110.1M12 V29 K30 I40 M73 L75 D82 A84 G106 T107 V109M12-Y86 HydrophobicContact CE-CD2 3.79Å; M12-Y86 HydrophobicContact CE-CG 3.69Å; M12-Y86 HydrophobicContact SD-CD1 4.24Å; M12-Y86 HydrophobicContact SD-CD2 4.2Å; M12-Y86 HydrophobicContact SD-CG 3.82Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.24Å; K30-Y86 HydrophobicContact CG-CE1 3.69Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.19Å; M73-Y86 HydrophobicContact CE-CG 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.21Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 4.27Å; D82-Y86 WeakPolarHBondContact O-CE2 3.16Å; D82-Y86 PolarHBondContact O-OH 3.29Å; A84-Y86 HydrophobicContact CB-CD2 4.43Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; A84-Y86 WeakPolarHBondContact O-CD2 3.47Å; A84-Y86 WeakPolarHBondContact O-CE2 3.48Å; Y86-G106 CarbonylContact O-C 3.51Å; Y86-G106 WeakPolarHBondContact O-CA 3.19Å; Y86-T107 PolarHBondContact N-O 3.17Å; Y86-T107 PolarHBondContact O-N 2.66Å; Y86-V109 HydrophobicContact CD2-CB 4.04Å; Y86-V109 HydrophobicContact CD2-CG2 3.98Å; Y86-V109 HydrophobicContact CE2-CB 3.91Å; Y86-V109 HydrophobicContact CE2-CG2 4.3Å
87Y95.9Very high83.3Confident47 Ų4767.2 Ų67.218%0.18434%0.336CS..EExtended strand (participates in β ladder)trans-116146.3-179.1-58.9-88.5000110.3W28 V29 Q31 L37 V85 W103 G104 G106W28-Y87 WeakPolarHBondContact CA-O 3.34Å; V29-Y87 PolarHBondContact N-O 2.86Å; V29-Y87 PolarHBondContact O-N 2.83Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.78Å; Q31-Y87 PolarHBondContact OE1-OH 2.95Å; L37-Y87 HydrophobicContact CD2-CD2 4.49Å; V85-Y87 HydrophobicContact CB-CE2 3.8Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 3.94Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.46Å; Y87-W103 HydrophobicContact CG-CE3 4.13Å; Y87-W103 HydrophobicContact CG-CZ3 4.32Å; Y87-G104 WeakPolarHBondContact CD1-O 3.3Å; Y87-G106 VanDerWaalsContact CD1-CA 3.42Å
88C95.1Very high81.5Confident15 Ų1568.7 Ų68.710%0.10133%0.334CS..EExtended strand (participates in β ladder)trans-100.2146.2158.862.30000109.6C14 M26 H27 W28 G104C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.76Å; M26-C88 HydrophobicContact CG-CB 4.47Å; M26-C88 HydrophobicContact SD-CB 3.73Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 WeakPolarHBondContact O-CA 3.17Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.35Å; W28-C88 HydrophobicContact CH2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.34Å; C88-G104 PolarHBondContact O-N 2.78Å
89A93.8Very high80.1Confident2 Ų271 Ų712%0.01736%0.359CS..EExtended strand (participates in β ladder)trans-140.9151178.700000111.1M26 H27 F100 Y102 W103M26-A89 VanDerWaalsContact SD-O 3.42Å; H27-A89 HydrophobicContact CB-CB 4.45Å; H27-A89 PolarHBondContact N-O 3.23Å; H27-A89 PolarHBondContact O-N 3.19Å; A89-F100 HydrophobicContact CB-CB 3.94Å; A89-F100 HydrophobicContact CB-CD1 3.82Å; A89-F100 HydrophobicContact CB-CG 3.85Å; A89-Y102 CarbonylContact C-O 3.59Å; A89-Y102 WeakPolarHBondContact CA-O 3.41Å; A89-W103 HydrophobicContact CB-CD2 3.78Å; A89-W103 HydrophobicContact CB-CE3 3.84Å; A89-W103 HydrophobicContact CB-CG 4.28Å; A89-W103 HydrophobicContact CB-CH2 4.4Å; A89-W103 HydrophobicContact CB-CZ2 4.36Å; A89-W103 HydrophobicContact CB-CZ3 4.15Å
90R89.5Confident79.1Confident27 Ų2771 Ų7110%0.10235%0.354CS..EExtended strand (participates in β ladder)trans-110.1136.9-176.9-173.4-177.171.2161.5-5110.7Y19 Y24 A101 Y102Y19-R90 VanDerWaalsContact CE2-CD 3.41Å; Y19-R90 HydrophobicContact CE2-CG 4.42Å; Y24-R90 VanDerWaalsContact CB-CG 3.44Å; Y24-R90 HydrophobicContact CD1-CG 3.51Å; Y24-R90 HydrophobicContact CD2-CG 4.49Å; Y24-R90 HydrophobicContact CE1-CG 4.42Å; Y24-R90 VanDerWaalsContact CG-CD 3.46Å; Y24-R90 HydrophobicContact CG-CG 3.57Å; R90-A101 PolarHBondContact O-N 2.97Å; R90-Y102 PolarHBondContact N-O 3.11Å
91R83.4Confident78.3Confident92 Ų9268 Ų6835%0.34734%0.335SS..EExtended strand (participates in β ladder)trans-133.8133.7168.9-172.5177.5175.1173.61.9110.8N25 D95 E98 F100N25-R91 PolarHBondContact N-O 2.83Å; N25-R91 PolarHBondContact O-N 3.03Å; R91-D95 PolarHBondContact NE-O 2.78Å; R91-D95 PolarHBondContact NH2-O 3.29Å; R91-E98 PolarHBondContact NE-O 2.91Å; R91-F100 HydrophobicContact CB-CD1 4.39Å
92G71.1Confident78Confident11 Ų1167.7 Ų67.711%0.11333%0.329CS..EExtended strand (participates in β ladder)trans-75.5155179.700000112.9Y94G92-Y94 VanDerWaalsContact C-N 3.32Å
93Y64.4Low78Confident79 Ų7972.4 Ų72.431%0.3135%0.346SS..SBendtrans-68.3-31.6174.3-75.4-75.8000113.4D23 N25 N44D23-Y93 WeakPolarHBondContact O-CD2 3.42Å; N25-Y93 PolarHBondContact OD1-OH 3.1Å; N44-Y93 PolarHBondContact ND2-OH 2.84Å; N44-Y93 PolarHBondContact OD1-OH 3.38Å
94Y63.1Low77.8Confident209 Ų20971 Ų7182%0.8234%0.34SS*.SBendtrans-93.4-5-175.6-56.9-74.1000113G92 Y96G92-Y94 VanDerWaalsContact C-N 3.32Å; Y94-Y96 WeakPolarHBondContact O-CD2 3.39Å; Y94-Y96 PolarHBondContact O-N 2.91Å; Y94-Y96 VanDerWaalsContact O-N 3.16Å
95D60.2Low77.6Confident55 Ų5580.5 Ų80.529%0.29439%0.385SS..  trans-85.984.4177.2-100.3-35.8000110.6R91 D97 E98R91-D95 PolarHBondContact NE-O 2.78Å; R91-D95 PolarHBondContact NH2-O 3.29Å; D95-D97 VanDerWaalsContact C-N 3.3Å; D95-E98 HydrophobicContact CB-CB 4.31Å
96Y55.6Low77.2Confident197 Ų19780.5 Ų80.577%0.77339%0.392SS*.SBendtrans-73-23.1173.7-70.8-80.5000112.4Y94Y94-Y96 WeakPolarHBondContact O-CD2 3.39Å; Y94-Y96 PolarHBondContact O-N 2.91Å; Y94-Y96 VanDerWaalsContact O-N 3.16Å
97D53.8Low76.8Confident163 Ų16382.7 Ų82.787%0.87241%0.406SS*.SBendtrans-116-11.2-173.4-105.3-28.2000115.9D95D95-D97 VanDerWaalsContact C-N 3.3Å
98E56.2Low76.5Confident111 Ų11183.9 Ų83.952%0.51941%0.414SS..  trans-100.5134.7-179.1-62.3-165176.400112.1R91 D95R91-E98 PolarHBondContact NE-O 2.91Å; D95-E98 HydrophobicContact CB-CB 4.31Å
99G62Low76Confident54 Ų5484.1 Ų84.156%0.55742%0.415SS*.  trans-64.3-154.8173.400000112.6A101G99-A101 PolarHBondContact O-N 3.12Å
100F71.8Confident75.1Confident65 Ų6588.2 Ų88.229%0.28544%0.435SS..  trans-67.694.8173.1-67-54.5000110.5H27 V29 W39 A89 R91 Y102 W103H27-F100 HydrophobicContact CB-CD1 4.21Å; H27-F100 HydrophobicContact CB-CE1 3.53Å; H27-F100 HydrophobicContact CB-CZ 4Å; H27-F100 AromaticContact CD2-CE1 3.57Å; H27-F100 AromaticContact CE1-CE1 3.77Å; H27-F100 AromaticContact CG-CE1 3.2Å; H27-F100 AromaticContact CG-CZ 3.85Å; H27-F100 AromaticContact ND1-CE1 3.33Å; H27-F100 VanDerWaalsContact ND1-CE1 3.33Å; H27-F100 WeakPolarHBondContact ND1-CE1 3.45Å; H27-F100 AromaticContact ND1-CZ 3.64Å; H27-F100 AromaticContact NE2-CE1 3.91Å; V29-F100 HydrophobicContact CG2-CE2 4.48Å; W39-F100 AromaticContact CD1-CZ 3.94Å; A89-F100 HydrophobicContact CB-CB 3.94Å; A89-F100 HydrophobicContact CB-CD1 3.82Å; A89-F100 HydrophobicContact CB-CG 3.85Å; R91-F100 HydrophobicContact CB-CD1 4.39Å; F100-Y102 VanDerWaalsContact C-N 3.26Å; F100-Y102 PolarHBondContact O-N 3.28Å; F100-W103 HydrophobicContact CB-CZ2 3.59Å; F100-W103 VanDerWaalsContact CB-NE1 3.33Å; F100-W103 AromaticContact CD2-CH2 3.89Å; F100-W103 HydrophobicContact CD2-CH2 3.89Å; F100-W103 AromaticContact CD2-CZ2 3.43Å; F100-W103 HydrophobicContact CD2-CZ2 3.43Å; F100-W103 VanDerWaalsContact CD2-CZ2 3.43Å; F100-W103 HydrophobicContact CE2-CH2 4.5Å; F100-W103 HydrophobicContact CE2-CZ2 4.43Å; F100-W103 HydrophobicContact CG-CH2 4.44Å; F100-W103 AromaticContact CG-CZ2 3.8Å; F100-W103 HydrophobicContact CG-CZ2 3.8Å; F100-W103 PolarHBondContact O-NE1 3.39Å; F100-W103 VanDerWaalsContact O-NE1 3.1Å
101A70.6Confident74.4Confident44 Ų4491.4 Ų91.436%0.36445%0.453SS..  trans-66.7-25.8-173.600000113.2R90 G99R90-A101 PolarHBondContact O-N 2.97Å; G99-A101 PolarHBondContact O-N 3.12Å
102Y82.9Confident73.8Confident147 Ų14791.4 Ų91.458%0.57646%0.459SS*.EExtended strand (participates in β ladder)trans-142.1136.2-178.8-60.3-95.5000111.5A89 R90 F100A89-Y102 CarbonylContact C-O 3.59Å; A89-Y102 WeakPolarHBondContact CA-O 3.41Å; R90-Y102 PolarHBondContact N-O 3.11Å; F100-Y102 VanDerWaalsContact C-N 3.26Å; F100-Y102 PolarHBondContact O-N 3.28Å
103W90.4Very high74Confident108 Ų10896.1 Ų96.141%0.40948%0.479SS..EExtended strand (participates in β ladder)trans-122141.9-179.7-67.378000111V29 L37 Y87 A89 F100V29-W103 HydrophobicContact CB-CH2 4.1Å; V29-W103 HydrophobicContact CB-CZ3 3.76Å; V29-W103 HydrophobicContact CG1-CH2 4.02Å; V29-W103 HydrophobicContact CG1-CZ3 3.98Å; V29-W103 HydrophobicContact CG2-CH2 3.75Å; V29-W103 HydrophobicContact CG2-CZ3 3.74Å; L37-W103 HydrophobicContact CD1-CH2 3.94Å; L37-W103 HydrophobicContact CD1-CZ2 4.43Å; Y87-W103 HydrophobicContact CG-CE3 4.13Å; Y87-W103 HydrophobicContact CG-CZ3 4.32Å; A89-W103 HydrophobicContact CB-CD2 3.78Å; A89-W103 HydrophobicContact CB-CE3 3.84Å; A89-W103 HydrophobicContact CB-CG 4.28Å; A89-W103 HydrophobicContact CB-CH2 4.4Å; A89-W103 HydrophobicContact CB-CZ2 4.36Å; A89-W103 HydrophobicContact CB-CZ3 4.15Å; F100-W103 HydrophobicContact CB-CZ2 3.59Å; F100-W103 VanDerWaalsContact CB-NE1 3.33Å; F100-W103 AromaticContact CD2-CH2 3.89Å; F100-W103 HydrophobicContact CD2-CH2 3.89Å; F100-W103 AromaticContact CD2-CZ2 3.43Å; F100-W103 HydrophobicContact CD2-CZ2 3.43Å; F100-W103 VanDerWaalsContact CD2-CZ2 3.43Å; F100-W103 HydrophobicContact CE2-CH2 4.5Å; F100-W103 HydrophobicContact CE2-CZ2 4.43Å; F100-W103 HydrophobicContact CG-CH2 4.44Å; F100-W103 AromaticContact CG-CZ2 3.8Å; F100-W103 HydrophobicContact CG-CZ2 3.8Å; F100-W103 PolarHBondContact O-NE1 3.39Å; F100-W103 VanDerWaalsContact O-NE1 3.1Å
104G88.9Confident74.6Confident29 Ų2997.2 Ų97.230%0.29949%0.49SS..  trans-71.6165.3165.300000111.4Y87 C88 G106Y87-G104 WeakPolarHBondContact CD1-O 3.3Å; C88-G104 PolarHBondContact O-N 2.78Å; G104-G106 PolarHBondContact O-N 3.34Å; G104-G106 VanDerWaalsContact O-N 3.1Å
105Q89.4Confident75.4Confident200 Ų20089.7 Ų89.794%0.93547%0.468SS*.  trans-63.5-16.9179.8-68-179.2-19.300113.8
106G86.3Confident76.5Confident33 Ų3392.2 Ų92.234%0.3448%0.48SS..  trans80.3160.8-176.400000112.9Y86 Y87 G104Y86-G106 CarbonylContact O-C 3.51Å; Y86-G106 WeakPolarHBondContact O-CA 3.19Å; Y87-G106 VanDerWaalsContact CD1-CA 3.42Å; G104-G106 PolarHBondContact O-N 3.34Å; G104-G106 VanDerWaalsContact O-N 3.1Å
107T89.1Confident78.1Confident49 Ų4984.2 Ų84.230%0.30146%0.458SS..EExtended strand (participates in β ladder)trans-138135171.3-174.20000110.4M12 V85 Y86M12-T107 HydrophobicContact CE-CG2 3.11Å; V85-T107 WeakPolarHBondContact CA-O 3.04Å; Y86-T107 PolarHBondContact N-O 3.17Å; Y86-T107 PolarHBondContact O-N 2.66Å
108L88.6Confident80.1Confident71 Ų7177.6 Ų77.637%0.37242%0.423SS..EExtended strand (participates in β ladder)trans-75.7129.3171.5-178.765.8000109.3P1 E2 V85P1-L108 CarbonylContact C-O 3.56Å; P1-L108 VanDerWaalsContact CA-O 3.24Å; P1-L108 WeakPolarHBondContact CA-O 3.34Å; P1-L108 HydrophobicContact CB-CB 4.36Å; E2-L108 PolarHBondContact N-O 3.17Å; V85-L108 HydrophobicContact CG2-CD1 4.13Å
109V84.8Confident82.3Confident20 Ų2074.5 Ų74.512%0.12141%0.414CS..  trans-120.20168.6179.80000108.4V4 V10 M12 L78 S83 A84 Y86V4-V109 HydrophobicContact CG2-CG1 3.76Å; V10-V109 HydrophobicContact CB-CG1 4.36Å; V10-V109 HydrophobicContact CG1-CG1 4.05Å; V10-V109 HydrophobicContact CG2-CG1 4.36Å; V10-V109 HydrophobicContact CG2-CG2 4.35Å; M12-V109 HydrophobicContact CE-CG2 3.37Å; M12-V109 HydrophobicContact SD-CG2 4.34Å; L78-V109 HydrophobicContact CD1-CG1 4.3Å; S83-V109 VanDerWaalsContact CA-O 3.29Å; S83-V109 WeakPolarHBondContact CA-O 3.47Å; S83-V109 PolarHBondContact OG-O 3.1Å; A84-V109 PolarHBondContact N-O 2.87Å; A84-V109 VanDerWaalsContact N-O 3.12Å; A84-V109 PolarHBondContact O-N 2.77Å; A84-V109 VanDerWaalsContact O-N 3.11Å; Y86-V109 HydrophobicContact CD2-CB 4.04Å; Y86-V109 HydrophobicContact CD2-CG2 3.98Å; Y86-V109 HydrophobicContact CE2-CB 3.91Å; Y86-V109 HydrophobicContact CE2-CG2 4.3Å

Retrieved 109 of 109 residues in 40.3 ms (Link to these results)

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