X5J5H6_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5H6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 94 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
1G67.8Low89.7Confident74 Ų7471.5 Ų71.576%0.76346%0.457SS*.  0169.8000000110.2S71G1-S71 WeakPolarHBondContact O-CA 3.36Å
2A83.1Confident89.3Confident86 Ų8672.8 Ų72.871%0.71149%0.492SS*.  trans-68.6144.9166.500000109.7P72A2-P72 VanDerWaalsContact O-CD 3.29Å; A2-P72 WeakPolarHBondContact O-CD 3.46Å; A2-P72 WeakPolarHBondContact O-CG 3.26Å
3S90.1Very high88.7Confident65 Ų6570.1 Ų70.146%0.45547%0.466SS..  trans-65.5143.2-179.8-56.20000111.3L69S3-L69 VanDerWaalsContact CA-O 3.26Å; S3-L69 WeakPolarHBondContact CA-O 3.43Å; S3-L69 WeakPolarHBondContact CB-O 3.48Å
4V93.8Very high88.6Confident71 Ų7171.8 Ų71.843%0.4347%0.474SS..EExtended strand (participates in β ladder)trans-115.1135.7178.3177.80000108.8Q68 L69 P72V4-Q68 CarbonylContact O-C 3.6Å; V4-Q68 VanDerWaalsContact O-CA 3.32Å; V4-Q68 WeakPolarHBondContact O-CA 3.15Å; V4-L69 PolarHBondContact N-O 2.87Å; V4-L69 PolarHBondContact O-N 2.84Å; V4-P72 HydrophobicContact CG2-CG 4.12Å
5K95.6Very high88.6Confident127 Ų12767.1 Ų67.155%0.55244%0.443SS*.EExtended strand (participates in β ladder)trans-115.1120.7175.7-170.7178.1-177.8-176.30109.7Y66 M67K5-Y66 HydrophobicContact CD-CD1 4.37Å; K5-Y66 VanDerWaalsContact CE-CD1 3.42Å; K5-Y66 VanDerWaalsContact CE-CG 3.47Å; K5-Y66 HydrophobicContact CG-CD1 4.41Å; K5-M67 WeakPolarHBondContact CA-O 3.46Å
6L95.6Very high88.7Confident51 Ų5165.8 Ų65.827%0.26743%0.433SS..EExtended strand (participates in β ladder)trans-100.4143.6175.5-64.1162.5000108.8W22 Y66 M67 Y80L6-W22 HydrophobicContact CB-CH2 4.1Å; L6-W22 HydrophobicContact CB-CZ3 3.9Å; L6-Y66 CarbonylContact O-C 3.6Å; L6-Y66 WeakPolarHBondContact O-CA 3.36Å; L6-M67 HydrophobicContact CD1-CE 3.43Å; L6-M67 VanDerWaalsContact CD1-CE 3.43Å; L6-M67 PolarHBondContact N-O 3.28Å; L6-M67 PolarHBondContact O-N 3.02Å; L6-Y80 HydrophobicContact CD1-CD1 4.21Å; L6-Y80 HydrophobicContact CD1-CD2 4Å; L6-Y80 HydrophobicContact CD1-CG 3.75Å
7S96.4Very high88.8Confident81 Ų8164.5 Ų64.557%0.56643%0.426SS*.EExtended strand (participates in β ladder)trans-119.7142.7177.557.90000110.4A65S7-A65 CarbonylContact C-O 3.55Å; S7-A65 WeakPolarHBondContact CA-O 3.22Å
8C94.8Very high88.9Confident0 Ų064.2 Ų64.20%042%0.415CS..EExtended strand (participates in β ladder)trans-130.1111.1174.8174.30000108.5W22 T64 A65 C82C8-W22 HydrophobicContact CB-CH2 3.72Å; C8-W22 HydrophobicContact CB-CZ2 3.87Å; C8-T64 CarbonylContact O-C 3.54Å; C8-T64 WeakPolarHBondContact O-CA 3.18Å; C8-T64 WeakPolarHBondContact O-CG2 3.49Å; C8-A65 HydrophobicContact CB-CB 4.4Å; C8-A65 PolarHBondContact N-O 3.27Å; C8-A65 PolarHBondContact O-N 2.89Å; C8-C82 HydrophobicContact CB-CB 3.47Å; C8-C82 VanDerWaalsContact CB-CB 3.47Å; C8-C82 WeakPolarHBondContact CB-SG 3.49Å; C8-C82 WeakPolarHBondContact SG-CB 3.47Å; C8-C82 CovalentContact SG-SG 2.01Å; C8-C82 PolarHBondContact SG-SG 3.17Å
9K93.9Very high89.2Confident134 Ų13464.4 Ų64.458%0.58341%0.407SS*.EExtended strand (participates in β ladder)trans-96.8118.8-178-173.9175.2-178.1179.70109.9
10A89.1Confident89.5Confident8 Ų861.2 Ų61.27%0.06639%0.387CS..  trans-73.5142.4175.200000111.6Y13 F15 S63A10-Y13 HydrophobicContact CB-CE1 3.67Å; A10-Y13 HydrophobicContact CB-CE2 4.02Å; A10-Y13 WeakPolarHBondContact CB-OH 3.37Å; A10-F15 HydrophobicContact CB-CB 3.94Å; A10-F15 HydrophobicContact CB-CD2 3.22Å; A10-F15 HydrophobicContact CB-CE2 3.9Å; A10-F15 HydrophobicContact CB-CG 3.89Å; A10-S63 WeakPolarHBondContact CB-O 3.48Å; A10-S63 PolarHBondContact N-O 2.95Å
11S86.7Confident89.7Confident90 Ų9058.9 Ų58.963%0.62937%0.372SS*.  trans-145.5143.4173.864.40000111Y13S11-Y13 VanDerWaalsContact O-CD1 3.23Å; S11-Y13 WeakPolarHBondContact O-CD1 3.39Å
12G84.6Confident91.1Very high86 Ų8655.7 Ų55.789%0.88734%0.336SS*.SBendtrans7913.9175.400000116
13Y81.5Confident91.7Very high38 Ų3852.4 Ų52.415%0.14931%0.308CS..SBendtrans-154.5166.7174.665.7-86.3000112.5A10 S11 F15 Y18 I20 R84 D93A10-Y13 HydrophobicContact CB-CE1 3.67Å; A10-Y13 HydrophobicContact CB-CE2 4.02Å; A10-Y13 WeakPolarHBondContact CB-OH 3.37Å; S11-Y13 VanDerWaalsContact O-CD1 3.23Å; S11-Y13 WeakPolarHBondContact O-CD1 3.39Å; Y13-F15 HydrophobicContact CE2-CB 4.39Å; Y13-F15 HydrophobicContact CE2-CD2 4.29Å; Y13-F15 PolarHBondContact O-N 2.81Å; Y13-Y18 HydrophobicContact CD2-CD1 4.45Å; Y13-Y18 AromaticContact CD2-CD2 3.34Å; Y13-Y18 HydrophobicContact CD2-CD2 3.34Å; Y13-Y18 AromaticContact CD2-CE2 3.69Å; Y13-Y18 HydrophobicContact CD2-CE2 3.69Å; Y13-Y18 AromaticContact CD2-CG 3.79Å; Y13-Y18 HydrophobicContact CD2-CG 3.79Å; Y13-Y18 AromaticContact CE2-CD2 3.84Å; Y13-Y18 HydrophobicContact CE2-CD2 3.84Å; Y13-Y18 AromaticContact CE2-CG 3.89Å; Y13-Y18 HydrophobicContact CE2-CG 3.89Å; Y13-Y18 HydrophobicContact CG-CD2 4.33Å; Y13-Y18 HydrophobicContact CG-CE2 4.29Å; Y13-I20 WeakPolarHBondContact OH-CD1 3.33Å; Y13-R84 VanDerWaalsContact CE1-CD 3.45Å; Y13-R84 VanDerWaalsContact CE1-NH1 3.29Å; Y13-R84 HydrophobicContact CE2-CB 4.45Å; Y13-D93 VanDerWaalsContact CE1-OD1 3.31Å; Y13-D93 WeakPolarHBondContact CE1-OD1 3.37Å; Y13-D93 PolarHBondContact OH-OD2 3.18Å
14T87.9Confident91.9Very high94 Ų9449.4 Ų49.458%0.57729%0.286SS*.  trans-72.887.5175.5-50.90000110.5P16 S17 Y18T14-P16 VanDerWaalsContact C-CD 3.43Å; T14-P16 VanDerWaalsContact C-N 3.33Å; T14-P16 VanDerWaalsContact O-N 3.13Å; T14-S17 WeakPolarHBondContact CG2-OG 3.46Å; T14-S17 WeakPolarHBondContact O-CB 3.43Å; T14-S17 PolarHBondContact O-N 2.68Å; T14-Y18 VanDerWaalsContact O-CD2 3.32Å; T14-Y18 WeakPolarHBondContact O-CD2 3.22Å
15F87.5Confident92Very high2 Ų249.3 Ų49.31%0.00928%0.281CS..G310 helixtrans-44.8-44.9-174.9175.8-111.6000115.4A10 Y13 S17 Y18 I20 P39 V58 A65A10-F15 HydrophobicContact CB-CB 3.94Å; A10-F15 HydrophobicContact CB-CD2 3.22Å; A10-F15 HydrophobicContact CB-CE2 3.9Å; A10-F15 HydrophobicContact CB-CG 3.89Å; Y13-F15 HydrophobicContact CE2-CB 4.39Å; Y13-F15 HydrophobicContact CE2-CD2 4.29Å; Y13-F15 PolarHBondContact O-N 2.81Å; F15-S17 PolarHBondContact O-N 2.8Å; F15-S17 VanDerWaalsContact O-N 3.09Å; F15-Y18 PolarHBondContact O-N 2.91Å; F15-I20 HydrophobicContact CD2-CD1 4.1Å; F15-I20 HydrophobicContact CD2-CG1 4.39Å; F15-I20 HydrophobicContact CE2-CD1 3.83Å; F15-I20 HydrophobicContact CE2-CG1 3.71Å; F15-I20 HydrophobicContact CZ-CG1 4.38Å; F15-P39 HydrophobicContact CD1-CB 4.02Å; F15-P39 HydrophobicContact CD1-CG 4.31Å; F15-P39 HydrophobicContact CD2-CG 4.38Å; F15-P39 HydrophobicContact CE1-CB 3.64Å; F15-P39 HydrophobicContact CE1-CG 3.93Å; F15-P39 HydrophobicContact CE2-CG 4.06Å; F15-P39 HydrophobicContact CZ-CB 4.02Å; F15-P39 HydrophobicContact CZ-CG 3.82Å; F15-V58 HydrophobicContact CE1-CB 4.31Å; F15-V58 HydrophobicContact CE1-CG1 4.42Å; F15-V58 HydrophobicContact CZ-CB 4.38Å; F15-V58 HydrophobicContact CZ-CG1 4.08Å; F15-A65 HydrophobicContact CE2-CB 4.33Å; F15-A65 HydrophobicContact CZ-CB 4.07Å
16P90.8Very high91.8Very high45 Ų4545.7 Ų45.729%0.29226%0.264SS..G310 helixtrans-61.3-18.9178.8-25.136.5000115.9T14 S40T14-P16 VanDerWaalsContact C-CD 3.43Å; T14-P16 VanDerWaalsContact C-N 3.33Å; T14-P16 VanDerWaalsContact O-N 3.13Å; P16-S40 WeakPolarHBondContact O-CB 3.44Å; P16-S40 PolarHBondContact O-N 2.8Å
17S90.1Very high91.5Very high44 Ų4449 Ų4931%0.30829%0.289SS..G310 helixtrans-92.3-0.8-173.7-54.80000114.3T14 F15 Y86T14-S17 WeakPolarHBondContact CG2-OG 3.46Å; T14-S17 WeakPolarHBondContact O-CB 3.43Å; T14-S17 PolarHBondContact O-N 2.68Å; F15-S17 PolarHBondContact O-N 2.8Å; F15-S17 VanDerWaalsContact O-N 3.09Å; S17-Y86 WeakPolarHBondContact O-CD2 3.45Å
18Y91.2Very high91.2Very high60 Ų6049.6 Ų49.624%0.23531%0.307CS..SBendtrans-122.8139-173.8-69.4-106.1000111.1Y13 T14 F15 I20 P39 R84 Y86Y13-Y18 HydrophobicContact CD2-CD1 4.45Å; Y13-Y18 AromaticContact CD2-CD2 3.34Å; Y13-Y18 HydrophobicContact CD2-CD2 3.34Å; Y13-Y18 AromaticContact CD2-CE2 3.69Å; Y13-Y18 HydrophobicContact CD2-CE2 3.69Å; Y13-Y18 AromaticContact CD2-CG 3.79Å; Y13-Y18 HydrophobicContact CD2-CG 3.79Å; Y13-Y18 AromaticContact CE2-CD2 3.84Å; Y13-Y18 HydrophobicContact CE2-CD2 3.84Å; Y13-Y18 AromaticContact CE2-CG 3.89Å; Y13-Y18 HydrophobicContact CE2-CG 3.89Å; Y13-Y18 HydrophobicContact CG-CD2 4.33Å; Y13-Y18 HydrophobicContact CG-CE2 4.29Å; T14-Y18 VanDerWaalsContact O-CD2 3.32Å; T14-Y18 WeakPolarHBondContact O-CD2 3.22Å; F15-Y18 PolarHBondContact O-N 2.91Å; Y18-I20 PolarHBondContact O-N 3.25Å; Y18-P39 WeakPolarHBondContact O-CD 3.48Å; Y18-R84 HydrophobicContact CD1-CB 4.09Å; Y18-R84 HydrophobicContact CD1-CG 4.26Å; Y18-R84 HydrophobicContact CG-CB 4.41Å; Y18-Y86 VanDerWaalsContact CD1-CB 3.47Å; Y18-Y86 HydrophobicContact CD1-CG 4.36Å; Y18-Y86 HydrophobicContact CE1-CD2 4.49Å; Y18-Y86 HydrophobicContact CE1-CG 4.01Å
19W93.7Very high90.9Very high68 Ų6854.3 Ų54.326%0.25833%0.33SS..EExtended strand (participates in β ladder)trans-68.8129.6168.4-71.887.9000109.8N36 Y38 Y43 R84 H85W19-N36 HydrophobicContact CE3-CB 4.2Å; W19-N36 VanDerWaalsContact CE3-OD1 3.27Å; W19-N36 WeakPolarHBondContact CZ3-OD1 3.29Å; W19-Y38 AromaticContact CD1-CD2 3.86Å; W19-Y38 AromaticContact CD2-CD2 3.87Å; W19-Y38 HydrophobicContact CD2-CD2 3.87Å; W19-Y38 HydrophobicContact CD2-CG 4.21Å; W19-Y38 AromaticContact CE2-CD2 3.77Å; W19-Y38 AromaticContact CE2-CG 3.98Å; W19-Y38 HydrophobicContact CE3-CG 4.5Å; W19-Y38 AromaticContact CG-CD2 3.95Å; W19-Y38 HydrophobicContact CG-CD2 3.95Å; W19-Y38 HydrophobicContact CH2-CG 4.43Å; W19-Y38 HydrophobicContact CZ2-CD2 4.35Å; W19-Y38 HydrophobicContact CZ2-CG 4.11Å; W19-Y38 AromaticContact NE1-CD2 3.74Å; W19-Y43 AromaticContact CH2-CD1 3.53Å; W19-Y43 HydrophobicContact CH2-CD1 3.53Å; W19-Y43 HydrophobicContact CH2-CE1 4.12Å; W19-Y43 HydrophobicContact CH2-CG 4.47Å; W19-Y43 AromaticContact CZ3-CD1 3.92Å; W19-Y43 HydrophobicContact CZ3-CD1 3.92Å; W19-R84 CarbonylContact O-C 3.52Å; W19-R84 VanDerWaalsContact O-CA 3.26Å; W19-R84 WeakPolarHBondContact O-CA 3.37Å; W19-H85 HydrophobicContact CB-CB 4.16Å; W19-H85 PolarHBondContact N-O 3.27Å; W19-H85 PolarHBondContact O-N 3.25Å
20I95Very high90.8Very high0 Ų050.7 Ų50.70%033%0.33CS..EExtended strand (participates in β ladder)trans-101.3112.4173.6-49.2-58.2000108.1Y13 F15 Y18 N36 I37 P39 A65 C82 T83 R84Y13-I20 WeakPolarHBondContact OH-CD1 3.33Å; F15-I20 HydrophobicContact CD2-CD1 4.1Å; F15-I20 HydrophobicContact CD2-CG1 4.39Å; F15-I20 HydrophobicContact CE2-CD1 3.83Å; F15-I20 HydrophobicContact CE2-CG1 3.71Å; F15-I20 HydrophobicContact CZ-CG1 4.38Å; Y18-I20 PolarHBondContact O-N 3.25Å; I20-N36 CarbonylContact O-C 3.45Å; I20-N36 WeakPolarHBondContact O-CA 3.4Å; I20-N36 WeakPolarHBondContact O-CB 3.25Å; I20-I37 HydrophobicContact CB-CG2 4.07Å; I20-I37 PolarHBondContact N-O 3.13Å; I20-I37 PolarHBondContact O-N 3.23Å; I20-P39 HydrophobicContact CG1-CG 3.85Å; I20-A65 HydrophobicContact CB-CB 4.27Å; I20-A65 HydrophobicContact CG1-CB 4.36Å; I20-A65 HydrophobicContact CG2-CB 3.8Å; I20-C82 HydrophobicContact CG2-CB 4.26Å; I20-T83 CarbonylContact C-O 3.53Å; I20-T83 WeakPolarHBondContact CA-O 3.48Å; I20-R84 HydrophobicContact CD1-CB 4.31Å
21N95.4Very high90.9Very high13 Ų1355.9 Ų55.97%0.0736%0.356CS..EExtended strand (participates in β ladder)trans-96.6143.3178.4-59.8-94.5000109.8W33 G35 N36 C82 T83N21-W33 PolarHBondContact OD1-NE1 2.88Å; N21-G35 WeakPolarHBondContact CA-O 3.26Å; N21-N36 HydrophobicContact CB-CB 4.26Å; N21-N36 VanDerWaalsContact OD1-CB 3.27Å; N21-N36 WeakPolarHBondContact OD1-CB 3.48Å; N21-N36 PolarHBondContact OD1-ND2 3.05Å; N21-C82 CarbonylContact O-C 3.55Å; N21-C82 WeakPolarHBondContact O-CA 3.33Å; N21-T83 WeakPolarHBondContact CB-OG1 3.45Å; N21-T83 PolarHBondContact N-O 2.95Å; N21-T83 PolarHBondContact O-N 2.86Å
22W96.6Very high91.3Very high6 Ų653.2 Ų53.22%0.02333%0.333CS..EExtended strand (participates in β ladder)trans-109.8129.8172.5-69.488.9000109.8L6 C8 I34 G35 L56 A65 M67 Y81 C82L6-W22 HydrophobicContact CB-CH2 4.1Å; L6-W22 HydrophobicContact CB-CZ3 3.9Å; C8-W22 HydrophobicContact CB-CH2 3.72Å; C8-W22 HydrophobicContact CB-CZ2 3.87Å; W22-I34 HydrophobicContact CB-CB 4.16Å; W22-I34 HydrophobicContact CB-CD1 4.3Å; W22-I34 WeakPolarHBondContact O-CB 2.94Å; W22-I34 PolarHBondContact O-N 2.83Å; W22-G35 PolarHBondContact N-O 3.15Å; W22-L56 VanDerWaalsContact CD1-CD2 3.48Å; W22-L56 HydrophobicContact CG-CD2 4.01Å; W22-A65 HydrophobicContact CZ2-CB 4.22Å; W22-M67 HydrophobicContact CB-SD 3.88Å; W22-M67 HydrophobicContact CD2-CB 3.63Å; W22-M67 HydrophobicContact CD2-CG 4.44Å; W22-M67 HydrophobicContact CD2-SD 4.1Å; W22-M67 HydrophobicContact CE3-CB 3.82Å; W22-M67 HydrophobicContact CE3-CE 3.95Å; W22-M67 HydrophobicContact CE3-SD 4.15Å; W22-M67 HydrophobicContact CG-CB 4.17Å; W22-M67 HydrophobicContact CG-SD 4.01Å; W22-M67 HydrophobicContact CH2-CB 4.06Å; W22-M67 HydrophobicContact CZ2-CB 3.89Å; W22-M67 HydrophobicContact CZ3-CB 4.03Å; W22-Y81 WeakPolarHBondContact CA-O 3.45Å; W22-C82 HydrophobicContact CE3-CB 4.38Å; W22-C82 HydrophobicContact CH2-CB 4.47Å; W22-C82 HydrophobicContact CZ3-CB 4.36Å
23V95.7Very high91.8Very high18 Ų1853.2 Ų53.211%0.10931%0.307CS..EExtended strand (participates in β ladder)trans-132.2137.3-175.3-1740000109.4L31 E32 Y80 Y81V23-L31 HydrophobicContact CG1-CB 3.73Å; V23-L31 HydrophobicContact CG1-CD2 3.77Å; V23-L31 HydrophobicContact CG1-CG 4.23Å; V23-E32 WeakPolarHBondContact CA-O 3.47Å; V23-Y80 CarbonylContact O-C 3.59Å; V23-Y80 WeakPolarHBondContact O-CA 3.16Å; V23-Y81 PolarHBondContact N-O 2.79Å; V23-Y81 PolarHBondContact O-N 3.31Å
24K94.6Very high92.6Very high1 Ų151.4 Ų51.40%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-105.4137.2176.2-175.4-178.6-179.8-178.40109.8E32 I34 F50 E75 D76 A78 Y80K24-E32 HydrophobicContact CB-CB 4.36Å; K24-E32 PolarHBondContact N-O 3.4Å; K24-E32 PolarHBondContact O-N 2.87Å; K24-I34 HydrophobicContact CB-CD1 4.08Å; K24-I34 HydrophobicContact CB-CG1 4.22Å; K24-F50 HydrophobicContact CD-CE1 4.18Å; K24-F50 HydrophobicContact CD-CZ 4.12Å; K24-E75 PolarHBondContact NZ-O 2.87Å; K24-D76 IonicContact NZ-OD1 3.15Å; K24-D76 PolarHBondContact NZ-OD1 2.8Å; K24-A78 HydrophobicContact CD-CB 4.06Å; K24-A78 HydrophobicContact CG-CB 3.38Å; K24-Y80 HydrophobicContact CB-CD1 4.17Å; K24-Y80 HydrophobicContact CB-CE1 3.94Å; K24-Y80 HydrophobicContact CD-CE1 4.04Å; K24-Y80 HydrophobicContact CG-CD1 4.31Å; K24-Y80 HydrophobicContact CG-CE1 3.77Å
25Q94.3Very high93Very high70 Ų7046.9 Ų46.933%0.32727%0.272SS..EExtended strand (participates in β ladder)trans-127.9117.1173.3-168-178.731.300110.3L31 A78 V79 Y81Q25-L31 HydrophobicContact CB-CD2 3.81Å; Q25-L31 HydrophobicContact CG-CD2 3.93Å; Q25-A78 WeakPolarHBondContact O-CB 3.22Å; Q25-V79 PolarHBondContact N-O 2.81Å; Q25-V79 PolarHBondContact O-N 3.26Å; Q25-Y81 HydrophobicContact CB-CD2 4.38Å; Q25-Y81 HydrophobicContact CB-CE2 3.71Å; Q25-Y81 VanDerWaalsContact OE1-CE2 3.24Å; Q25-Y81 PolarHBondContact OE1-OH 3.47Å
26R92.3Very high93.4Very high50 Ų5047.9 Ų47.919%0.18928%0.277CS..  trans-92.4147169.4-59-166.1-169.993.6-3.2110.2G28 Q29 E32 E75 A78R26-G28 PolarHBondContact O-N 2.82Å; R26-Q29 HydrophobicContact CB-CB 4.03Å; R26-Q29 HydrophobicContact CB-CG 4.04Å; R26-Q29 PolarHBondContact O-N 2.62Å; R26-E32 IonicContact CZ-OE1 3.48Å; R26-E32 IonicContact NH1-OE1 2.68Å; R26-E32 PolarHBondContact NH1-OE1 2.94Å; R26-E32 IonicContact NH2-OE1 2.87Å; R26-E75 VanDerWaalsContact CZ-O 3.28Å; R26-E75 PolarHBondContact NE-O 2.92Å; R26-E75 PolarHBondContact NH2-O 2.98Å; R26-A78 HydrophobicContact CG-CB 4.07Å
27P89.8Confident93.7Very high122 Ų12245.8 Ų45.879%0.79226%0.264SS*.THydrogen-bonded Turntrans-53128.1171.7-2534.3000111.1Q29P27-Q29 PolarHBondContact O-N 2.93Å
28G89.6Confident93.9Very high92 Ų9246.3 Ų46.395%0.94826%0.26SS*.THydrogen-bonded Turntrans73.24.3-179.500000115.7R26R26-G28 PolarHBondContact O-N 2.82Å
29Q89.2Confident94.1Very high100 Ų10043.5 Ų43.547%0.46725%0.248SC..SBendtrans-116.3160174.4-56.8-174.63.300111.4R26 P27R26-Q29 HydrophobicContact CB-CB 4.03Å; R26-Q29 HydrophobicContact CB-CG 4.04Å; R26-Q29 PolarHBondContact O-N 2.62Å; P27-Q29 PolarHBondContact O-N 2.93Å
30G90.4Very high94Very high57 Ų5743.2 Ų43.259%0.58826%0.257SS*.  trans-67.1173.2172.800000113
31L92.8Very high94Very high117 Ų11748 Ų4861%0.61328%0.283SS*.EExtended strand (participates in β ladder)trans-70.7126.5172.4-67.6171.2000110.2V23 Q25V23-L31 HydrophobicContact CG1-CB 3.73Å; V23-L31 HydrophobicContact CG1-CD2 3.77Å; V23-L31 HydrophobicContact CG1-CG 4.23Å; Q25-L31 HydrophobicContact CB-CD2 3.81Å; Q25-L31 HydrophobicContact CG-CD2 3.93Å
32E94.7Very high94Very high34 Ų3450.3 Ų50.316%0.15930%0.299CS..EExtended strand (participates in β ladder)trans-105.7114.5173.4-68.7-167.7-83.700109.8V23 K24 R26 K49V23-E32 WeakPolarHBondContact CA-O 3.47Å; K24-E32 HydrophobicContact CB-CB 4.36Å; K24-E32 PolarHBondContact N-O 3.4Å; K24-E32 PolarHBondContact O-N 2.87Å; R26-E32 IonicContact CZ-OE1 3.48Å; R26-E32 IonicContact NH1-OE1 2.68Å; R26-E32 PolarHBondContact NH1-OE1 2.94Å; R26-E32 IonicContact NH2-OE1 2.87Å; E32-K49 IonicContact OE2-NZ 3.81Å; E32-K49 PolarHBondContact OE2-NZ 3.37Å; E32-K49 VanDerWaalsContact OE2-NZ 3.15Å
33W95.4Very high93.9Very high86 Ų8656.2 Ų56.233%0.32632%0.323SS..EExtended strand (participates in β ladder)trans-71.8128.5174-179.879.8000110.6N21 G35 N36 N45 N47N21-W33 PolarHBondContact OD1-NE1 2.88Å; W33-G35 VanDerWaalsContact CZ2-C 3.41Å; W33-G35 PolarHBondContact NE1-O 2.99Å; W33-N36 HydrophobicContact CZ2-CB 4.14Å; W33-N45 HydrophobicContact CH2-CB 3.92Å; W33-N45 HydrophobicContact CZ2-CB 4.31Å; W33-N47 HydrophobicContact CE3-CB 3.72Å; W33-N47 HydrophobicContact CZ3-CB 3.87Å; W33-N47 VanDerWaalsContact CZ3-N 3.31Å; W33-N47 WeakPolarHBondContact O-CB 3.27Å; W33-N47 PolarHBondContact O-ND2 3.18Å
34I96.6Very high94Very high0 Ų057.6 Ų57.60%033%0.331CS..EExtended strand (participates in β ladder)trans-92.7-47.4-178.4-59.8174.8000110.3W22 K24 N47 F50 A54 M67 Y80W22-I34 HydrophobicContact CB-CB 4.16Å; W22-I34 HydrophobicContact CB-CD1 4.3Å; W22-I34 WeakPolarHBondContact O-CB 2.94Å; W22-I34 PolarHBondContact O-N 2.83Å; K24-I34 HydrophobicContact CB-CD1 4.08Å; K24-I34 HydrophobicContact CB-CG1 4.22Å; I34-N47 WeakPolarHBondContact O-CB 3.47Å; I34-N47 PolarHBondContact O-N 3.15Å; I34-F50 HydrophobicContact CB-CD2 4.36Å; I34-F50 HydrophobicContact CB-CG 4.32Å; I34-F50 HydrophobicContact CG1-CD1 4.35Å; I34-F50 HydrophobicContact CG1-CD2 4.31Å; I34-F50 HydrophobicContact CG1-CE1 4.35Å; I34-F50 HydrophobicContact CG1-CE2 4.3Å; I34-F50 HydrophobicContact CG1-CG 4.33Å; I34-F50 HydrophobicContact CG1-CZ 4.32Å; I34-F50 HydrophobicContact CG2-CB 3.71Å; I34-F50 HydrophobicContact CG2-CD1 4.22Å; I34-F50 HydrophobicContact CG2-CD2 4.35Å; I34-F50 HydrophobicContact CG2-CG 3.85Å; I34-A54 HydrophobicContact CG2-CB 3.76Å; I34-M67 HydrophobicContact CB-SD 4.44Å; I34-M67 HydrophobicContact CD1-CE 3.7Å; I34-M67 HydrophobicContact CD1-SD 3.52Å; I34-M67 VanDerWaalsContact CD1-SD 3.52Å; I34-M67 HydrophobicContact CG2-SD 3.84Å; I34-Y80 HydrophobicContact CD1-CD1 3.74Å; I34-Y80 HydrophobicContact CD1-CE1 3.69Å
35G96.8Very high94.1Very high0 Ų060.1 Ų60.10%035%0.345CS..EExtended strand (participates in β ladder)trans170.3174.6-171.400000111.6N21 W22 W33 N45N21-G35 WeakPolarHBondContact CA-O 3.26Å; W22-G35 PolarHBondContact N-O 3.15Å; W33-G35 VanDerWaalsContact CZ2-C 3.41Å; W33-G35 PolarHBondContact NE1-O 2.99Å; G35-N45 CarbonylContact C-O 3.55Å; G35-N45 WeakPolarHBondContact CA-O 3.46Å
36N96.3Very high94.2Very high22 Ų2259.8 Ų59.812%0.11834%0.341CS..EExtended strand (participates in β ladder)trans-141.2159.6171.665.231.1000112W19 I20 N21 W33 T44 N45W19-N36 HydrophobicContact CE3-CB 4.2Å; W19-N36 VanDerWaalsContact CE3-OD1 3.27Å; W19-N36 WeakPolarHBondContact CZ3-OD1 3.29Å; I20-N36 CarbonylContact O-C 3.45Å; I20-N36 WeakPolarHBondContact O-CA 3.4Å; I20-N36 WeakPolarHBondContact O-CB 3.25Å; N21-N36 HydrophobicContact CB-CB 4.26Å; N21-N36 VanDerWaalsContact OD1-CB 3.27Å; N21-N36 WeakPolarHBondContact OD1-CB 3.48Å; N21-N36 PolarHBondContact OD1-ND2 3.05Å; W33-N36 HydrophobicContact CZ2-CB 4.14Å; N36-T44 CarbonylContact O-C 3.59Å; N36-T44 VanDerWaalsContact O-CA 3.27Å; N36-T44 WeakPolarHBondContact O-CA 3.43Å; N36-N45 PolarHBondContact N-O 3.12Å; N36-N45 PolarHBondContact O-N 2.89Å; N36-N45 WeakPolarHBondContact OD1-CB 3.47Å; N36-N45 PolarHBondContact OD1-ND2 3.29Å
37I96.5Very high94.4Very high2 Ų259.5 Ų59.51%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-131.7133.5175.9-173.3157.2000109.3I20 P39 Y43 T44 L56 V58I20-I37 HydrophobicContact CB-CG2 4.07Å; I20-I37 PolarHBondContact N-O 3.13Å; I20-I37 PolarHBondContact O-N 3.23Å; I37-P39 WeakPolarHBondContact O-CD 3.45Å; I37-Y43 CarbonylContact C-O 3.55Å; I37-Y43 VanDerWaalsContact CA-O 3.3Å; I37-Y43 WeakPolarHBondContact CA-O 3.37Å; I37-T44 HydrophobicContact CB-CG2 3.93Å; I37-T44 HydrophobicContact CD1-CG2 3.59Å; I37-T44 HydrophobicContact CG1-CG2 3.72Å; I37-L56 HydrophobicContact CB-CB 4.24Å; I37-L56 HydrophobicContact CB-CD1 4.45Å; I37-L56 HydrophobicContact CD1-CB 4.25Å; I37-V58 HydrophobicContact CB-CG1 4.49Å; I37-V58 HydrophobicContact CD1-CG1 3.76Å; I37-V58 HydrophobicContact CD1-CG2 4.28Å; I37-V58 HydrophobicContact CG1-CG1 3.93Å; I37-V58 HydrophobicContact CG2-CG1 3.75Å
38Y95.3Very high94.6Very high55 Ų5560.5 Ų60.522%0.21634%0.337CS..EExtended strand (participates in β ladder)trans-93.2110.9170-166.4-127.2000108.9W19 S40 D41 S42 Y43W19-Y38 AromaticContact CD1-CD2 3.86Å; W19-Y38 AromaticContact CD2-CD2 3.87Å; W19-Y38 HydrophobicContact CD2-CD2 3.87Å; W19-Y38 HydrophobicContact CD2-CG 4.21Å; W19-Y38 AromaticContact CE2-CD2 3.77Å; W19-Y38 AromaticContact CE2-CG 3.98Å; W19-Y38 HydrophobicContact CE3-CG 4.5Å; W19-Y38 AromaticContact CG-CD2 3.95Å; W19-Y38 HydrophobicContact CG-CD2 3.95Å; W19-Y38 HydrophobicContact CH2-CG 4.43Å; W19-Y38 HydrophobicContact CZ2-CD2 4.35Å; W19-Y38 HydrophobicContact CZ2-CG 4.11Å; W19-Y38 AromaticContact NE1-CD2 3.74Å; Y38-S40 PolarHBondContact O-N 2.78Å; Y38-S40 VanDerWaalsContact O-N 3.17Å; Y38-D41 WeakPolarHBondContact CD1-OD1 3.27Å; Y38-D41 PolarHBondContact O-N 3.05Å; Y38-S42 VanDerWaalsContact O-CA 3.24Å; Y38-S42 WeakPolarHBondContact O-CA 3.21Å; Y38-S42 PolarHBondContact O-N 3.05Å; Y38-Y43 PolarHBondContact N-O 3.12Å
39P94.6Very high94.7Very high0 Ų062.9 Ų62.90%032%0.322CS..THydrogen-bonded Turntrans-69.8-17.1-169.6-15.327.9000113.8F15 Y18 I20 I37 V58 K60F15-P39 HydrophobicContact CD1-CB 4.02Å; F15-P39 HydrophobicContact CD1-CG 4.31Å; F15-P39 HydrophobicContact CD2-CG 4.38Å; F15-P39 HydrophobicContact CE1-CB 3.64Å; F15-P39 HydrophobicContact CE1-CG 3.93Å; F15-P39 HydrophobicContact CE2-CG 4.06Å; F15-P39 HydrophobicContact CZ-CB 4.02Å; F15-P39 HydrophobicContact CZ-CG 3.82Å; Y18-P39 WeakPolarHBondContact O-CD 3.48Å; I20-P39 HydrophobicContact CG1-CG 3.85Å; I37-P39 WeakPolarHBondContact O-CD 3.45Å; P39-V58 HydrophobicContact CB-CB 4.23Å; P39-V58 HydrophobicContact CB-CG1 3.92Å; P39-V58 HydrophobicContact CB-CG2 4.19Å; P39-V58 HydrophobicContact CG-CG1 4.11Å; P39-K60 WeakPolarHBondContact O-CD 3.18Å; P39-K60 WeakPolarHBondContact O-CE 2.99Å; P39-K60 PolarHBondContact O-NZ 2.86Å
40S93Very high94.9Very high62 Ų6258.5 Ų58.543%0.43430%0.301SS..THydrogen-bonded Turntrans-61.3-47.4177.3-172.10000112.6P16 Y38 K60P16-S40 WeakPolarHBondContact O-CB 3.44Å; P16-S40 PolarHBondContact O-N 2.8Å; Y38-S40 PolarHBondContact O-N 2.78Å; Y38-S40 VanDerWaalsContact O-N 3.17Å; S40-K60 PolarHBondContact O-NZ 2.83Å
41D94.3Very high95Very high102 Ų10261.2 Ų61.255%0.54530%0.297SS..THydrogen-bonded Turntrans-121.53.6-175.158.311.8000113.2Y38 Y43Y38-D41 WeakPolarHBondContact CD1-OD1 3.27Å; Y38-D41 PolarHBondContact O-N 3.05Å; D41-Y43 PolarHBondContact O-N 2.9Å; D41-Y43 WeakPolarHBondContact OD1-CB 3.37Å; D41-Y43 PolarHBondContact OD1-N 2.91Å
42S94.8Very high95Very high60 Ų6062.5 Ų62.542%0.4230%0.304SS..THydrogen-bonded Turntrans60.321.2-176-55.20000113.5Y38 T44Y38-S42 VanDerWaalsContact O-CA 3.24Å; Y38-S42 WeakPolarHBondContact O-CA 3.21Å; Y38-S42 PolarHBondContact O-N 3.05Å; S42-T44 PolarHBondContact O-N 2.84Å
43Y95.9Very high94.9Very high131 Ų13164.2 Ų64.251%0.51431%0.311SS..EExtended strand (participates in β ladder)trans-64.5133.4175.6-175-90.4000110.2W19 I37 Y38 D41 N45W19-Y43 AromaticContact CH2-CD1 3.53Å; W19-Y43 HydrophobicContact CH2-CD1 3.53Å; W19-Y43 HydrophobicContact CH2-CE1 4.12Å; W19-Y43 HydrophobicContact CH2-CG 4.47Å; W19-Y43 AromaticContact CZ3-CD1 3.92Å; W19-Y43 HydrophobicContact CZ3-CD1 3.92Å; I37-Y43 CarbonylContact C-O 3.55Å; I37-Y43 VanDerWaalsContact CA-O 3.3Å; I37-Y43 WeakPolarHBondContact CA-O 3.37Å; Y38-Y43 PolarHBondContact N-O 3.12Å; D41-Y43 PolarHBondContact O-N 2.9Å; D41-Y43 WeakPolarHBondContact OD1-CB 3.37Å; D41-Y43 PolarHBondContact OD1-N 2.91Å; Y43-N45 WeakPolarHBondContact CE1-ND2 3.42Å; Y43-N45 WeakPolarHBondContact CE1-OD1 3.31Å
44T96.9Very high94.9Very high47 Ų4760.2 Ų60.229%0.28830%0.296SS..EExtended strand (participates in β ladder)trans-122.9139-176.349.60000111.9N36 I37 S42 Y46 L56N36-T44 CarbonylContact O-C 3.59Å; N36-T44 VanDerWaalsContact O-CA 3.27Å; N36-T44 WeakPolarHBondContact O-CA 3.43Å; I37-T44 HydrophobicContact CB-CG2 3.93Å; I37-T44 HydrophobicContact CD1-CG2 3.59Å; I37-T44 HydrophobicContact CG1-CG2 3.72Å; S42-T44 PolarHBondContact O-N 2.84Å; T44-Y46 HydrophobicContact CG2-CE2 4.47Å; T44-Y46 WeakPolarHBondContact OG1-CE2 3.23Å; T44-L56 HydrophobicContact CG2-CB 4.02Å
45N96.6Very high95Very high53 Ų5363.2 Ų63.228%0.28332%0.315SS..EExtended strand (participates in β ladder)trans-117.1147.2165-60.1-74.9000109.6W33 G35 N36 Y43W33-N45 HydrophobicContact CH2-CB 3.92Å; W33-N45 HydrophobicContact CZ2-CB 4.31Å; G35-N45 CarbonylContact C-O 3.55Å; G35-N45 WeakPolarHBondContact CA-O 3.46Å; N36-N45 PolarHBondContact N-O 3.12Å; N36-N45 PolarHBondContact O-N 2.89Å; N36-N45 WeakPolarHBondContact OD1-CB 3.47Å; N36-N45 PolarHBondContact OD1-ND2 3.29Å; Y43-N45 WeakPolarHBondContact CE1-ND2 3.42Å; Y43-N45 WeakPolarHBondContact CE1-OD1 3.31Å
46Y97Very high95Very high63 Ų6363.7 Ų63.725%0.24732%0.317CS..EExtended strand (participates in β ladder)trans-129.1146.8178.5-66.2-88.2000110.6T44 K51 A54 L56T44-Y46 HydrophobicContact CG2-CE2 4.47Å; T44-Y46 WeakPolarHBondContact OG1-CE2 3.23Å; Y46-K51 HydrophobicContact CG-CG 4.47Å; Y46-A54 HydrophobicContact CE1-CB 4.44Å; Y46-A54 WeakPolarHBondContact CE1-O 3.32Å; Y46-L56 HydrophobicContact CE1-CD1 4.12Å; Y46-L56 HydrophobicContact CE1-CG 3.72Å; Y46-L56 PolarHBondContact OH-N 2.9Å
47N95.6Very high95.1Very high45 Ų4565.6 Ų65.624%0.24133%0.33CS..  trans-70.9135.9158-176.7-27.5000108.5W33 I34 K49 F50 K51W33-N47 HydrophobicContact CE3-CB 3.72Å; W33-N47 HydrophobicContact CZ3-CB 3.87Å; W33-N47 VanDerWaalsContact CZ3-N 3.31Å; W33-N47 WeakPolarHBondContact O-CB 3.27Å; W33-N47 PolarHBondContact O-ND2 3.18Å; I34-N47 WeakPolarHBondContact O-CB 3.47Å; I34-N47 PolarHBondContact O-N 3.15Å; N47-K49 PolarHBondContact O-N 3.09Å; N47-K49 PolarHBondContact OD1-N 3.08Å; N47-K49 VanDerWaalsContact OD1-N 3.15Å; N47-F50 HydrophobicContact CB-CD2 4.03Å; N47-F50 PolarHBondContact O-N 3.37Å; N47-K51 PolarHBondContact O-N 3.02Å; N47-K51 VanDerWaalsContact O-N 3.12Å
48Q94.2Very high95.1Very high142 Ų14266.8 Ų66.866%0.66434%0.337SS*.THydrogen-bonded Turntrans-52.7-33.6-178.1-166.465.521.200112.8F50Q48-F50 PolarHBondContact O-N 2.82Å
49K91.6Very high95.1Very high143 Ų14366.8 Ų66.862%0.62234%0.341SS*.THydrogen-bonded Turntrans-63.1-26.2177.3-66.7-174.1-176.6-178.60114.2E32 N47E32-K49 IonicContact OE2-NZ 3.81Å; E32-K49 PolarHBondContact OE2-NZ 3.37Å; E32-K49 VanDerWaalsContact OE2-NZ 3.15Å; N47-K49 PolarHBondContact O-N 3.09Å; N47-K49 PolarHBondContact OD1-N 3.08Å; N47-K49 VanDerWaalsContact OD1-N 3.15Å
50F92.9Very high95Very high7 Ų771.6 Ų71.63%0.03136%0.362CS..THydrogen-bonded Turntrans-115.5-6.7-171.4-62.6-82.6000113.5K24 I34 N47 Q48 D52 K53 A54K24-F50 HydrophobicContact CD-CE1 4.18Å; K24-F50 HydrophobicContact CD-CZ 4.12Å; I34-F50 HydrophobicContact CB-CD2 4.36Å; I34-F50 HydrophobicContact CB-CG 4.32Å; I34-F50 HydrophobicContact CG1-CD1 4.35Å; I34-F50 HydrophobicContact CG1-CD2 4.31Å; I34-F50 HydrophobicContact CG1-CE1 4.35Å; I34-F50 HydrophobicContact CG1-CE2 4.3Å; I34-F50 HydrophobicContact CG1-CG 4.33Å; I34-F50 HydrophobicContact CG1-CZ 4.32Å; I34-F50 HydrophobicContact CG2-CB 3.71Å; I34-F50 HydrophobicContact CG2-CD1 4.22Å; I34-F50 HydrophobicContact CG2-CD2 4.35Å; I34-F50 HydrophobicContact CG2-CG 3.85Å; N47-F50 HydrophobicContact CB-CD2 4.03Å; N47-F50 PolarHBondContact O-N 3.37Å; Q48-F50 PolarHBondContact O-N 2.82Å; F50-D52 PolarHBondContact O-N 2.85Å; F50-K53 PolarHBondContact O-N 2.79Å; F50-A54 HydrophobicContact CB-CB 4.3Å; F50-A54 PolarHBondContact O-N 2.89Å
51K92.7Very high94.9Very high115 Ų11573.9 Ų73.950%0.538%0.378SS..THydrogen-bonded Turntrans-53.7-38.2-174.9-171.3177.3-178.6-179.80113.8Y46 N47Y46-K51 HydrophobicContact CG-CG 4.47Å; N47-K51 PolarHBondContact O-N 3.02Å; N47-K51 VanDerWaalsContact O-N 3.12Å
52D92.5Very high94.9Very high144 Ų14471 Ų7177%0.7737%0.365SS*.THydrogen-bonded Turntrans-94.8-4.5-179.1-54.5-39.5000113.1F50F50-D52 PolarHBondContact O-N 2.85Å
53K93.3Very high94.9Very high69 Ų6970 Ų7030%0.336%0.359SS..THydrogen-bonded Turntrans-106.5-36.1-177.9-76.5-170.5168.8-166.10113.3F50 L69 S70 D76F50-K53 PolarHBondContact O-N 2.79Å; K53-L69 WeakPolarHBondContact O-CA 3.32Å; K53-S70 PolarHBondContact O-N 2.94Å; K53-D76 IonicContact NZ-OD1 3.92Å; K53-D76 IonicContact NZ-OD2 2.99Å; K53-D76 PolarHBondContact NZ-OD2 2.98Å
54A96.1Very high94.9Very high3 Ų364.2 Ų64.23%0.02534%0.337CS..EExtended strand (participates in β ladder)trans-108.9135-172.100000111.1I34 Y46 F50 M67 Q68 L69I34-A54 HydrophobicContact CG2-CB 3.76Å; Y46-A54 HydrophobicContact CE1-CB 4.44Å; Y46-A54 WeakPolarHBondContact CE1-O 3.32Å; F50-A54 HydrophobicContact CB-CB 4.3Å; F50-A54 PolarHBondContact O-N 2.89Å; A54-M67 HydrophobicContact CB-CG 4.42Å; A54-M67 HydrophobicContact CB-SD 4.42Å; A54-Q68 CarbonylContact C-O 3.41Å; A54-Q68 VanDerWaalsContact CA-O 3.32Å; A54-Q68 WeakPolarHBondContact CA-O 3.42Å; A54-L69 HydrophobicContact CB-CD2 3.94Å
55T97.4Very high94.9Very high63 Ų6362 Ų6239%0.38732%0.323SS..EExtended strand (participates in β ladder)trans-118.4121.5171.1-56.10000109T57 M67 Q68T55-T57 HydrophobicContact CG2-CG2 4.36Å; T55-M67 WeakPolarHBondContact O-CA 3.35Å; T55-Q68 PolarHBondContact N-O 3.05Å; T55-Q68 PolarHBondContact O-N 2.86Å
56L97.8Very high94.9Very high9 Ų962 Ų625%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-98.6133.6177.6-53.4-174.7000110.7W22 I37 T44 Y46 Y66 M67W22-L56 VanDerWaalsContact CD1-CD2 3.48Å; W22-L56 HydrophobicContact CG-CD2 4.01Å; I37-L56 HydrophobicContact CB-CB 4.24Å; I37-L56 HydrophobicContact CB-CD1 4.45Å; I37-L56 HydrophobicContact CD1-CB 4.25Å; T44-L56 HydrophobicContact CG2-CB 4.02Å; Y46-L56 HydrophobicContact CE1-CD1 4.12Å; Y46-L56 HydrophobicContact CE1-CG 3.72Å; Y46-L56 PolarHBondContact OH-N 2.9Å; L56-Y66 WeakPolarHBondContact CA-O 2.91Å; L56-M67 HydrophobicContact CD2-CB 3.74Å; L56-M67 HydrophobicContact CD2-CG 3.63Å; L56-M67 HydrophobicContact CD2-SD 4.14Å
57T97.4Very high94.9Very high62 Ų6259 Ų5938%0.3831%0.308SS..EExtended strand (participates in β ladder)trans-140.5162.1176.556.20000110.8T55 A65 Y66T55-T57 HydrophobicContact CG2-CG2 4.36Å; T57-A65 CarbonylContact O-C 3.6Å; T57-Y66 PolarHBondContact N-O 2.92Å; T57-Y66 PolarHBondContact O-N 2.91Å
58V96.6Very high95Very high28 Ų2860.5 Ų60.517%0.1731%0.314CS..EExtended strand (participates in β ladder)trans-134146.7175.4-67.10000110.9F15 I37 P39 A65F15-V58 HydrophobicContact CE1-CB 4.31Å; F15-V58 HydrophobicContact CE1-CG1 4.42Å; F15-V58 HydrophobicContact CZ-CB 4.38Å; F15-V58 HydrophobicContact CZ-CG1 4.08Å; I37-V58 HydrophobicContact CB-CG1 4.49Å; I37-V58 HydrophobicContact CD1-CG1 3.76Å; I37-V58 HydrophobicContact CD1-CG2 4.28Å; I37-V58 HydrophobicContact CG1-CG1 3.93Å; I37-V58 HydrophobicContact CG2-CG1 3.75Å; P39-V58 HydrophobicContact CB-CB 4.23Å; P39-V58 HydrophobicContact CB-CG1 3.92Å; P39-V58 HydrophobicContact CB-CG2 4.19Å; P39-V58 HydrophobicContact CG-CG1 4.11Å; V58-A65 HydrophobicContact CG1-CB 4.12Å
59D95.3Very high95Very high55 Ų5554.1 Ų54.129%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-116.6107.3163.8175.27.4000108.4S61 S62 S63 T64 Y66D59-S61 VanDerWaalsContact C-N 3.29Å; D59-S61 PolarHBondContact O-N 3.17Å; D59-S61 WeakPolarHBondContact OD1-CB 3.36Å; D59-S61 PolarHBondContact OD1-N 2.96Å; D59-S61 PolarHBondContact OD1-OG 3.27Å; D59-S61 PolarHBondContact OD2-OG 2.87Å; D59-S62 WeakPolarHBondContact CB-OG 2.94Å; D59-S62 PolarHBondContact OD1-N 3.1Å; D59-S62 WeakPolarHBondContact OD2-CB 3.39Å; D59-S62 PolarHBondContact OD2-OG 2.78Å; D59-S63 WeakPolarHBondContact O-CA 3.45Å; D59-S63 PolarHBondContact O-N 2.98Å; D59-S63 VanDerWaalsContact O-N 3.07Å; D59-T64 PolarHBondContact N-O 3.39Å; D59-T64 PolarHBondContact O-N 2.93Å; D59-Y66 HydrophobicContact CB-CE2 3.97Å
60K92.4Very high95.1Very high100 Ų10049.5 Ų49.544%0.43527%0.27SS..THydrogen-bonded Turntrans-70.8-27.9-177.6-52.6-176.9-151.4-1700111.7P39 S40 S63P39-K60 WeakPolarHBondContact O-CD 3.18Å; P39-K60 WeakPolarHBondContact O-CE 2.99Å; P39-K60 PolarHBondContact O-NZ 2.86Å; S40-K60 PolarHBondContact O-NZ 2.83Å; K60-S63 PolarHBondContact O-N 2.82Å
61S92.1Very high95Very high111 Ų11152.8 Ų52.878%0.77629%0.293SS*.THydrogen-bonded Turntrans-69-37.7-178.373.40000111.6D59D59-S61 VanDerWaalsContact C-N 3.29Å; D59-S61 PolarHBondContact O-N 3.17Å; D59-S61 WeakPolarHBondContact OD1-CB 3.36Å; D59-S61 PolarHBondContact OD1-N 2.96Å; D59-S61 PolarHBondContact OD1-OG 3.27Å; D59-S61 PolarHBondContact OD2-OG 2.87Å
62S94Very high94.8Very high40 Ų4048.8 Ų48.828%0.2828%0.279SS..THydrogen-bonded Turntrans-96.92.1176.864.40000113.7D59 T64D59-S62 WeakPolarHBondContact CB-OG 2.94Å; D59-S62 PolarHBondContact OD1-N 3.1Å; D59-S62 WeakPolarHBondContact OD2-CB 3.39Å; D59-S62 PolarHBondContact OD2-OG 2.78Å; S62-T64 PolarHBondContact O-N 2.58Å; S62-T64 PolarHBondContact O-OG1 2.01Å; S62-T64 WeakPolarHBondContact OG-CB 3.49Å; S62-T64 PolarHBondContact OG-OG1 3.46Å
63S94.1Very high94.7Very high40 Ų4045.3 Ų45.328%0.2826%0.263SS..THydrogen-bonded Turntrans49.443.1-173.8-61.40000112.8A10 D59 K60A10-S63 WeakPolarHBondContact CB-O 3.48Å; A10-S63 PolarHBondContact N-O 2.95Å; D59-S63 WeakPolarHBondContact O-CA 3.45Å; D59-S63 PolarHBondContact O-N 2.98Å; D59-S63 VanDerWaalsContact O-N 3.07Å; K60-S63 PolarHBondContact O-N 2.82Å
64T96Very high94.4Very high10 Ų1047.1 Ų47.16%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-122128.7-174-55.90000110.6C8 D59 S62 Y66C8-T64 CarbonylContact O-C 3.54Å; C8-T64 WeakPolarHBondContact O-CA 3.18Å; C8-T64 WeakPolarHBondContact O-CG2 3.49Å; D59-T64 PolarHBondContact N-O 3.39Å; D59-T64 PolarHBondContact O-N 2.93Å; S62-T64 PolarHBondContact O-N 2.58Å; S62-T64 PolarHBondContact O-OG1 2.01Å; S62-T64 WeakPolarHBondContact OG-CB 3.49Å; S62-T64 PolarHBondContact OG-OG1 3.46Å; T64-Y66 HydrophobicContact CG2-CD1 4.25Å; T64-Y66 HydrophobicContact CG2-CD2 4.39Å; T64-Y66 HydrophobicContact CG2-CE1 3.65Å; T64-Y66 HydrophobicContact CG2-CE2 3.78Å; T64-Y66 WeakPolarHBondContact CG2-OH 3.34Å
65A96.7Very high94Very high0 Ų053 Ų530%031%0.311CS..EExtended strand (participates in β ladder)trans-95.3149.9168.300000110S7 C8 F15 I20 W22 T57 V58S7-A65 CarbonylContact C-O 3.55Å; S7-A65 WeakPolarHBondContact CA-O 3.22Å; C8-A65 HydrophobicContact CB-CB 4.4Å; C8-A65 PolarHBondContact N-O 3.27Å; C8-A65 PolarHBondContact O-N 2.89Å; F15-A65 HydrophobicContact CE2-CB 4.33Å; F15-A65 HydrophobicContact CZ-CB 4.07Å; I20-A65 HydrophobicContact CB-CB 4.27Å; I20-A65 HydrophobicContact CG1-CB 4.36Å; I20-A65 HydrophobicContact CG2-CB 3.8Å; W22-A65 HydrophobicContact CZ2-CB 4.22Å; T57-A65 CarbonylContact O-C 3.6Å; V58-A65 HydrophobicContact CG1-CB 4.12Å
66Y97.5Very high93.6Very high52 Ų5250.6 Ų50.620%0.20430%0.296CS..EExtended strand (participates in β ladder)trans-132145.1177.6-54.7-88.8000111.4K5 L6 L56 T57 D59 T64K5-Y66 HydrophobicContact CD-CD1 4.37Å; K5-Y66 VanDerWaalsContact CE-CD1 3.42Å; K5-Y66 VanDerWaalsContact CE-CG 3.47Å; K5-Y66 HydrophobicContact CG-CD1 4.41Å; L6-Y66 CarbonylContact O-C 3.6Å; L6-Y66 WeakPolarHBondContact O-CA 3.36Å; L56-Y66 WeakPolarHBondContact CA-O 2.91Å; T57-Y66 PolarHBondContact N-O 2.92Å; T57-Y66 PolarHBondContact O-N 2.91Å; D59-Y66 HydrophobicContact CB-CE2 3.97Å; T64-Y66 HydrophobicContact CG2-CD1 4.25Å; T64-Y66 HydrophobicContact CG2-CD2 4.39Å; T64-Y66 HydrophobicContact CG2-CE1 3.65Å; T64-Y66 HydrophobicContact CG2-CE2 3.78Å; T64-Y66 WeakPolarHBondContact CG2-OH 3.34Å
67M97.4Very high93.3Very high0 Ų054.7 Ų54.70%033%0.326CS..EExtended strand (participates in β ladder)trans-122.1124.2167.6178.7176.374.400109.2K5 L6 W22 I34 A54 T55 L56 L69 Y80K5-M67 WeakPolarHBondContact CA-O 3.46Å; L6-M67 HydrophobicContact CD1-CE 3.43Å; L6-M67 VanDerWaalsContact CD1-CE 3.43Å; L6-M67 PolarHBondContact N-O 3.28Å; L6-M67 PolarHBondContact O-N 3.02Å; W22-M67 HydrophobicContact CB-SD 3.88Å; W22-M67 HydrophobicContact CD2-CB 3.63Å; W22-M67 HydrophobicContact CD2-CG 4.44Å; W22-M67 HydrophobicContact CD2-SD 4.1Å; W22-M67 HydrophobicContact CE3-CB 3.82Å; W22-M67 HydrophobicContact CE3-CE 3.95Å; W22-M67 HydrophobicContact CE3-SD 4.15Å; W22-M67 HydrophobicContact CG-CB 4.17Å; W22-M67 HydrophobicContact CG-SD 4.01Å; W22-M67 HydrophobicContact CH2-CB 4.06Å; W22-M67 HydrophobicContact CZ2-CB 3.89Å; W22-M67 HydrophobicContact CZ3-CB 4.03Å; I34-M67 HydrophobicContact CB-SD 4.44Å; I34-M67 HydrophobicContact CD1-CE 3.7Å; I34-M67 HydrophobicContact CD1-SD 3.52Å; I34-M67 VanDerWaalsContact CD1-SD 3.52Å; I34-M67 HydrophobicContact CG2-SD 3.84Å; A54-M67 HydrophobicContact CB-CG 4.42Å; A54-M67 HydrophobicContact CB-SD 4.42Å; T55-M67 WeakPolarHBondContact O-CA 3.35Å; L56-M67 HydrophobicContact CD2-CB 3.74Å; L56-M67 HydrophobicContact CD2-CG 3.63Å; L56-M67 HydrophobicContact CD2-SD 4.14Å; M67-L69 HydrophobicContact CE-CD1 4.08Å; M67-L69 HydrophobicContact CE-CD2 4.36Å; M67-L69 HydrophobicContact CE-CG 4.14Å; M67-L69 HydrophobicContact SD-CD2 4.41Å; M67-Y80 HydrophobicContact CE-CD1 3.5Å; M67-Y80 VanDerWaalsContact CE-CD1 3.5Å; M67-Y80 HydrophobicContact CE-CE1 3.83Å; M67-Y80 HydrophobicContact CE-CG 4.22Å
68Q97.3Very high93.1Very high78 Ų7853 Ų5336%0.36432%0.318SS..EExtended strand (participates in β ladder)trans-103.7126.8171.9-175.7175.36.500109.4V4 A54 T55V4-Q68 CarbonylContact O-C 3.6Å; V4-Q68 VanDerWaalsContact O-CA 3.32Å; V4-Q68 WeakPolarHBondContact O-CA 3.15Å; A54-Q68 CarbonylContact C-O 3.41Å; A54-Q68 VanDerWaalsContact CA-O 3.32Å; A54-Q68 WeakPolarHBondContact CA-O 3.42Å; T55-Q68 PolarHBondContact N-O 3.05Å; T55-Q68 PolarHBondContact O-N 2.86Å
69L95.3Very high93Very high8 Ų855.2 Ų55.24%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-102.2121.4171.6-67.6170.8000109.2S3 V4 K53 A54 M67 Y80S3-L69 VanDerWaalsContact CA-O 3.26Å; S3-L69 WeakPolarHBondContact CA-O 3.43Å; S3-L69 WeakPolarHBondContact CB-O 3.48Å; V4-L69 PolarHBondContact N-O 2.87Å; V4-L69 PolarHBondContact O-N 2.84Å; K53-L69 WeakPolarHBondContact O-CA 3.32Å; A54-L69 HydrophobicContact CB-CD2 3.94Å; M67-L69 HydrophobicContact CE-CD1 4.08Å; M67-L69 HydrophobicContact CE-CD2 4.36Å; M67-L69 HydrophobicContact CE-CG 4.14Å; M67-L69 HydrophobicContact SD-CD2 4.41Å; L69-Y80 HydrophobicContact CD1-CE1 3.89Å; L69-Y80 HydrophobicContact CD1-CE2 4.36Å
70S93.4Very high93Very high45 Ų4554.9 Ų54.932%0.31533%0.326SS..SBendtrans-88.7130.4178.3-65.10000110.4K53K53-S70 PolarHBondContact O-N 2.94Å
71S89.1Confident93.1Very high76 Ų7653.1 Ų53.153%0.53132%0.318SS..SBendtrans49.750.7177.1-65.50000115.2G1G1-S71 WeakPolarHBondContact O-CA 3.36Å
72P88.8Confident93.2Very high32 Ų3248.2 Ų48.221%0.20828%0.283CS..  trans-58.5143-178.225.8-34.2000111.6A2 V4 D76A2-P72 VanDerWaalsContact O-CD 3.29Å; A2-P72 WeakPolarHBondContact O-CD 3.46Å; A2-P72 WeakPolarHBondContact O-CG 3.26Å; V4-P72 HydrophobicContact CG2-CG 4.12Å; P72-D76 HydrophobicContact CB-CB 4.09Å
73T90.6Very high93.1Very high70 Ų7047 Ų4743%0.42927%0.274SS..  trans-107.2177.3175.967.40000110.9E75 D76T73-E75 PolarHBondContact O-N 3.44Å; T73-D76 PolarHBondContact N-OD2 3.03Å; T73-D76 WeakPolarHBondContact O-CA 3.43Å; T73-D76 WeakPolarHBondContact O-CB 3.3Å; T73-D76 PolarHBondContact O-N 2.83Å
74S87.9Confident93Very high107 Ų10748.2 Ų48.275%0.74827%0.272SS*.G310 helixtrans-57.4-32.6174.9500000112.7D76 S77S74-D76 PolarHBondContact O-N 2.85Å; S74-S77 WeakPolarHBondContact O-CB 3.27Å; S74-S77 PolarHBondContact O-N 2.91Å; S74-S77 VanDerWaalsContact O-N 3.13Å
75E86.3Confident92.5Very high126 Ų12649.5 Ų49.559%0.58928%0.278SS*.G310 helixtrans-66.7-16.6175.2-60.8-178.4171.300113.2K24 R26 T73K24-E75 PolarHBondContact NZ-O 2.87Å; R26-E75 VanDerWaalsContact CZ-O 3.28Å; R26-E75 PolarHBondContact NE-O 2.92Å; R26-E75 PolarHBondContact NH2-O 2.98Å; T73-E75 PolarHBondContact O-N 3.44Å
76D89.6Confident91.7Very high13 Ų1354.4 Ų54.47%0.0730%0.297CS..G310 helixtrans-90.5-0.5176.8-64.4-44.3000113.2K24 K53 P72 T73 S74 A78 Y80K24-D76 IonicContact NZ-OD1 3.15Å; K24-D76 PolarHBondContact NZ-OD1 2.8Å; K53-D76 IonicContact NZ-OD1 3.92Å; K53-D76 IonicContact NZ-OD2 2.99Å; K53-D76 PolarHBondContact NZ-OD2 2.98Å; P72-D76 HydrophobicContact CB-CB 4.09Å; T73-D76 PolarHBondContact N-OD2 3.03Å; T73-D76 WeakPolarHBondContact O-CA 3.43Å; T73-D76 WeakPolarHBondContact O-CB 3.3Å; T73-D76 PolarHBondContact O-N 2.83Å; S74-D76 PolarHBondContact O-N 2.85Å; D76-A78 PolarHBondContact O-N 3.3Å; D76-Y80 WeakPolarHBondContact O-CE2 3.47Å; D76-Y80 PolarHBondContact O-OH 3.09Å
77S91.4Very high90.5Very high96 Ų9661 Ų6167%0.67132%0.323SS*.  trans-71.6112.5168.7-166.50000110.7S74S74-S77 WeakPolarHBondContact O-CB 3.27Å; S74-S77 PolarHBondContact O-N 2.91Å; S74-S77 VanDerWaalsContact O-N 3.13Å
78A93.4Very high89.1Confident25 Ų2563.7 Ų63.721%0.20735%0.35CS..SBendtrans-165167.6-173.700000110.2K24 Q25 R26 D76 Y80K24-A78 HydrophobicContact CD-CB 4.06Å; K24-A78 HydrophobicContact CG-CB 3.38Å; Q25-A78 WeakPolarHBondContact O-CB 3.22Å; R26-A78 HydrophobicContact CG-CB 4.07Å; D76-A78 PolarHBondContact O-N 3.3Å; A78-Y80 HydrophobicContact CB-CE2 4.04Å; A78-Y80 WeakPolarHBondContact O-CD2 3.32Å; A78-Y80 WeakPolarHBondContact O-CE2 3.43Å
79V94.4Very high87.9Confident76 Ų7668.9 Ų68.946%0.46137%0.367SS..EExtended strand (participates in β ladder)trans-82.2134.8162.9-173.70000108.3Q25 Y81Q25-V79 PolarHBondContact N-O 2.81Å; Q25-V79 PolarHBondContact O-N 3.26Å; V79-Y81 HydrophobicContact CB-CE2 4.08Å; V79-Y81 HydrophobicContact CG1-CD1 4.41Å; V79-Y81 HydrophobicContact CG1-CD2 4.38Å; V79-Y81 HydrophobicContact CG1-CE1 3.74Å; V79-Y81 HydrophobicContact CG1-CE2 3.71Å; V79-Y81 WeakPolarHBondContact CG1-OH 3.43Å
80Y95.5Very high86.9Confident47 Ų4776.3 Ų76.318%0.18440%0.396CS..EExtended strand (participates in β ladder)trans-113.1134.4178.2-68.8-89.1000109.3L6 V23 K24 I34 M67 L69 D76 A78L6-Y80 HydrophobicContact CD1-CD1 4.21Å; L6-Y80 HydrophobicContact CD1-CD2 4Å; L6-Y80 HydrophobicContact CD1-CG 3.75Å; V23-Y80 CarbonylContact O-C 3.59Å; V23-Y80 WeakPolarHBondContact O-CA 3.16Å; K24-Y80 HydrophobicContact CB-CD1 4.17Å; K24-Y80 HydrophobicContact CB-CE1 3.94Å; K24-Y80 HydrophobicContact CD-CE1 4.04Å; K24-Y80 HydrophobicContact CG-CD1 4.31Å; K24-Y80 HydrophobicContact CG-CE1 3.77Å; I34-Y80 HydrophobicContact CD1-CD1 3.74Å; I34-Y80 HydrophobicContact CD1-CE1 3.69Å; M67-Y80 HydrophobicContact CE-CD1 3.5Å; M67-Y80 VanDerWaalsContact CE-CD1 3.5Å; M67-Y80 HydrophobicContact CE-CE1 3.83Å; M67-Y80 HydrophobicContact CE-CG 4.22Å; L69-Y80 HydrophobicContact CD1-CE1 3.89Å; L69-Y80 HydrophobicContact CD1-CE2 4.36Å; D76-Y80 WeakPolarHBondContact O-CE2 3.47Å; D76-Y80 PolarHBondContact O-OH 3.09Å; A78-Y80 HydrophobicContact CB-CE2 4.04Å; A78-Y80 WeakPolarHBondContact O-CD2 3.32Å; A78-Y80 WeakPolarHBondContact O-CE2 3.43Å
81Y94.4Very high86.1Confident64 Ų6475.7 Ų75.725%0.25139%0.394SS..EExtended strand (participates in β ladder)trans-122.5145.5178.8-56.7-80.6000110.4W22 V23 Q25 V79 M92W22-Y81 WeakPolarHBondContact CA-O 3.45Å; V23-Y81 PolarHBondContact N-O 2.79Å; V23-Y81 PolarHBondContact O-N 3.31Å; Q25-Y81 HydrophobicContact CB-CD2 4.38Å; Q25-Y81 HydrophobicContact CB-CE2 3.71Å; Q25-Y81 VanDerWaalsContact OE1-CE2 3.24Å; Q25-Y81 PolarHBondContact OE1-OH 3.47Å; V79-Y81 HydrophobicContact CB-CE2 4.08Å; V79-Y81 HydrophobicContact CG1-CD1 4.41Å; V79-Y81 HydrophobicContact CG1-CD2 4.38Å; V79-Y81 HydrophobicContact CG1-CE1 3.74Å; V79-Y81 HydrophobicContact CG1-CE2 3.71Å; V79-Y81 WeakPolarHBondContact CG1-OH 3.43Å; Y81-M92 VanDerWaalsContact CB-CE 3.44Å; Y81-M92 HydrophobicContact CD1-CE 3.65Å; Y81-M92 HydrophobicContact CG-CE 3.63Å
82C94.3Very high85.5Confident7 Ų776 Ų765%0.04739%0.388CS..EExtended strand (participates in β ladder)trans-106.8143.4162.461.50000110.3C8 I20 N21 W22 D93C8-C82 HydrophobicContact CB-CB 3.47Å; C8-C82 VanDerWaalsContact CB-CB 3.47Å; C8-C82 WeakPolarHBondContact CB-SG 3.49Å; C8-C82 WeakPolarHBondContact SG-CB 3.47Å; C8-C82 CovalentContact SG-SG 2.01Å; C8-C82 PolarHBondContact SG-SG 3.17Å; I20-C82 HydrophobicContact CG2-CB 4.26Å; N21-C82 CarbonylContact O-C 3.55Å; N21-C82 WeakPolarHBondContact O-CA 3.33Å; W22-C82 HydrophobicContact CE3-CB 4.38Å; W22-C82 HydrophobicContact CH2-CB 4.47Å; W22-C82 HydrophobicContact CZ3-CB 4.36Å; C82-D93 PolarHBondContact O-N 2.61Å; C82-D93 VanDerWaalsContact O-O 3.07Å; C82-D93 PolarHBondContact SG-O 3.39Å
83T92.3Very high84.7Confident14 Ų1475 Ų759%0.08638%0.381CS..EExtended strand (participates in β ladder)trans-138.2140.8179.370.90000109.9I20 N21 A91 M92I20-T83 CarbonylContact C-O 3.53Å; I20-T83 WeakPolarHBondContact CA-O 3.48Å; N21-T83 WeakPolarHBondContact CB-OG1 3.45Å; N21-T83 PolarHBondContact N-O 2.95Å; N21-T83 PolarHBondContact O-N 2.86Å; T83-A91 CarbonylContact C-O 3.45Å; T83-A91 VanDerWaalsContact CA-O 3.25Å; T83-A91 WeakPolarHBondContact CA-O 3.37Å; T83-A91 WeakPolarHBondContact CB-O 3.4Å; T83-M92 HydrophobicContact CG2-CE 3.56Å; T83-M92 HydrophobicContact CG2-SD 3.22Å; T83-M92 WeakPolarHBondContact CG2-SD 3.43Å
84R91.1Very high83.2Confident66 Ų6682.7 Ų82.725%0.24940%0.404CS..EExtended strand (participates in β ladder)trans-88.6144.3171.765-177.7-167.6-129.28.6111.3Y13 Y18 W19 I20 Y90 A91 D93Y13-R84 VanDerWaalsContact CE1-CD 3.45Å; Y13-R84 VanDerWaalsContact CE1-NH1 3.29Å; Y13-R84 HydrophobicContact CE2-CB 4.45Å; Y18-R84 HydrophobicContact CD1-CB 4.09Å; Y18-R84 HydrophobicContact CD1-CG 4.26Å; Y18-R84 HydrophobicContact CG-CB 4.41Å; W19-R84 CarbonylContact O-C 3.52Å; W19-R84 VanDerWaalsContact O-CA 3.26Å; W19-R84 WeakPolarHBondContact O-CA 3.37Å; I20-R84 HydrophobicContact CD1-CB 4.31Å; R84-Y90 WeakPolarHBondContact O-CA 3.16Å; R84-A91 HydrophobicContact CG-CB 3.84Å; R84-A91 PolarHBondContact N-O 2.64Å; R84-A91 PolarHBondContact O-N 3.47Å; R84-D93 WeakPolarHBondContact CB-OD2 2.93Å; R84-D93 IonicContact NH1-OD1 3.1Å; R84-D93 PolarHBondContact NH1-OD1 2.7Å; R84-D93 VanDerWaalsContact NH1-OD1 3.1Å
85H85.5Confident83Confident37 Ų3781.5 Ų81.517%0.17139%0.387CS..EExtended strand (participates in β ladder)trans-133.3132.4173.6169.7-108000112W19 G88 Y89 Y90W19-H85 HydrophobicContact CB-CB 4.16Å; W19-H85 PolarHBondContact N-O 3.27Å; W19-H85 PolarHBondContact O-N 3.25Å; H85-G88 PolarHBondContact NE2-N 3Å; H85-Y89 VanDerWaalsContact CA-O 3.27Å; H85-Y89 WeakPolarHBondContact CA-O 3.24Å; H85-Y89 PolarHBondContact CD2-O 3.48Å; H85-Y90 HydrophobicContact CB-CD1 3.86Å; H85-Y90 HydrophobicContact CB-CE1 3.8Å; H85-Y90 AromaticContact CD2-CD1 3.88Å; H85-Y90 AromaticContact CD2-CE1 3.43Å; H85-Y90 VanDerWaalsContact CD2-CE1 3.43Å; H85-Y90 WeakPolarHBondContact CD2-CE1 3.5Å; H85-Y90 AromaticContact CD2-CE2 3.85Å; H85-Y90 AromaticContact CD2-CZ 3.42Å; H85-Y90 VanDerWaalsContact CD2-CZ 3.42Å; H85-Y90 AromaticContact CG-CE1 3.69Å; H85-Y90 AromaticContact NE2-CZ 3.92Å
86Y81Confident82.8Confident103 Ų10379.2 Ų79.240%0.40438%0.376SS..EExtended strand (participates in β ladder)trans-140.5115.1172.5-177-99.6000110.1S17 Y18 G88 Y89S17-Y86 WeakPolarHBondContact O-CD2 3.45Å; Y18-Y86 VanDerWaalsContact CD1-CB 3.47Å; Y18-Y86 HydrophobicContact CD1-CG 4.36Å; Y18-Y86 HydrophobicContact CE1-CD2 4.49Å; Y18-Y86 HydrophobicContact CE1-CG 4.01Å; Y86-G88 VanDerWaalsContact C-N 3.28Å; Y86-G88 PolarHBondContact O-N 3.38Å; Y86-Y89 PolarHBondContact N-O 2.95Å; Y86-Y89 VanDerWaalsContact N-O 3.09Å; Y86-Y89 PolarHBondContact O-N 3.07Å
87Y71.4Confident82.4Confident192 Ų19282.8 Ų82.875%0.75339%0.393SS*.THydrogen-bonded Turntrans37.149.4174-66.1-84.2000115.5
88G67.8Low81.9Confident55 Ų5582.1 Ų82.157%0.56738%0.377SS*.THydrogen-bonded Turntrans99.6-3.7176.800000116.1H85 Y86H85-G88 PolarHBondContact NE2-N 3Å; Y86-G88 VanDerWaalsContact C-N 3.28Å; Y86-G88 PolarHBondContact O-N 3.38Å
89Y73.2Confident81.1Confident187 Ų18785.6 Ų85.673%0.73339%0.387SS*.EExtended strand (participates in β ladder)trans-103.2133.4174.2-64.3-82.2000111.5H85 Y86H85-Y89 VanDerWaalsContact CA-O 3.27Å; H85-Y89 WeakPolarHBondContact CA-O 3.24Å; H85-Y89 PolarHBondContact CD2-O 3.48Å; Y86-Y89 PolarHBondContact N-O 2.95Å; Y86-Y89 VanDerWaalsContact N-O 3.09Å; Y86-Y89 PolarHBondContact O-N 3.07Å
90Y73.3Confident80.3Confident164 Ų16486.3 Ų86.364%0.64338%0.382SS*.EExtended strand (participates in β ladder)trans-118.9136.1176.4-62.5-89.5000110.9R84 H85R84-Y90 WeakPolarHBondContact O-CA 3.16Å; H85-Y90 HydrophobicContact CB-CD1 3.86Å; H85-Y90 HydrophobicContact CB-CE1 3.8Å; H85-Y90 AromaticContact CD2-CD1 3.88Å; H85-Y90 AromaticContact CD2-CE1 3.43Å; H85-Y90 VanDerWaalsContact CD2-CE1 3.43Å; H85-Y90 WeakPolarHBondContact CD2-CE1 3.5Å; H85-Y90 AromaticContact CD2-CE2 3.85Å; H85-Y90 AromaticContact CD2-CZ 3.42Å; H85-Y90 VanDerWaalsContact CD2-CZ 3.42Å; H85-Y90 AromaticContact CG-CE1 3.69Å; H85-Y90 AromaticContact NE2-CZ 3.92Å
91A77.8Confident79.2Confident33 Ų3389.1 Ų89.127%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-140.3145.2169.100000110.2T83 R84T83-A91 CarbonylContact C-O 3.45Å; T83-A91 VanDerWaalsContact CA-O 3.25Å; T83-A91 WeakPolarHBondContact CA-O 3.37Å; T83-A91 WeakPolarHBondContact CB-O 3.4Å; R84-A91 HydrophobicContact CG-CB 3.84Å; R84-A91 PolarHBondContact N-O 2.64Å; R84-A91 PolarHBondContact O-N 3.47Å
92M76Confident78Confident82 Ų8291 Ų9140%0.40441%0.408SS..EExtended strand (participates in β ladder)trans-76.7134.5174.7-53.1-62.7-63.700108.9Y81 T83 Y94Y81-M92 VanDerWaalsContact CB-CE 3.44Å; Y81-M92 HydrophobicContact CD1-CE 3.65Å; Y81-M92 HydrophobicContact CG-CE 3.63Å; T83-M92 HydrophobicContact CG2-CE 3.56Å; T83-M92 HydrophobicContact CG2-SD 3.22Å; T83-M92 WeakPolarHBondContact CG2-SD 3.43Å; M92-Y94 HydrophobicContact CB-CE2 4.14Å
93D70.7Confident76.7Confident12 Ų1298 Ų986%0.06444%0.438CS..EExtended strand (participates in β ladder)trans-106.1145165.1-63.4-48.6000107.6Y13 C82 R84Y13-D93 VanDerWaalsContact CE1-OD1 3.31Å; Y13-D93 WeakPolarHBondContact CE1-OD1 3.37Å; Y13-D93 PolarHBondContact OH-OD2 3.18Å; C82-D93 PolarHBondContact O-N 2.61Å; C82-D93 VanDerWaalsContact O-O 3.07Å; C82-D93 PolarHBondContact SG-O 3.39Å; R84-D93 WeakPolarHBondContact CB-OD2 2.93Å; R84-D93 IonicContact NH1-OD1 3.1Å; R84-D93 PolarHBondContact NH1-OD1 2.7Å; R84-D93 VanDerWaalsContact NH1-OD1 3.1Å
94Y59.8Low75.2Confident231 Ų231105.6 Ų105.691%0.90647%0.47SS*.  trans-1180-176.4-62.2-80.5000110.7M92M92-Y94 HydrophobicContact CB-CE2 4.14Å

Retrieved 94 of 94 residues in 19.5 ms (Link to these results)

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