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UPF0457 protein SAOUHSC_02425

AlphaFold DB , UniProt , Accession Q2FW79, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 86 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
1M57Low86.8Confident206 Ų20695.2 Ų95.2100%1.01551%0.509SS*.  0126.20-75.4165.7169.700107.6R17M1-R17 HydrophobicContact SD-CG 4.21Å
2A76.5Confident87.4Confident88 Ų8887.3 Ų87.373%0.72747%0.466SS*.  trans-84.9134.8-175.100000110.5
3M88Confident87.9Confident42 Ų4287.8 Ų87.821%0.20746%0.458CS..  trans-82.3136165.6-179.4179.671.700108.3V5 W16 I72 T74 V80M3-V5 HydrophobicContact CE-CG2 4.08Å; M3-V5 HydrophobicContact CG-CG2 4.29Å; M3-V5 HydrophobicContact SD-CG2 4.41Å; M3-W16 HydrophobicContact CG-CB 4.46Å; M3-I72 HydrophobicContact CE-CG2 3.53Å; M3-I72 HydrophobicContact SD-CG2 3.37Å; M3-I72 WeakPolarHBondContact SD-CG2 3.47Å; M3-T74 HydrophobicContact CE-CG2 4.02Å; M3-V80 HydrophobicContact CE-CG2 3.56Å
4T92Very high88.4Confident60 Ų6081.6 Ų81.637%0.36843%0.425SS..EExtended strand (participates in β ladder)trans-116.1124.8176.5-55.20000108.5K6 Q15T4-K6 HydrophobicContact CG2-CG 4.3Å; T4-Q15 PolarHBondContact N-O 3.12Å; T4-Q15 PolarHBondContact O-N 2.84Å
5V92.8Very high88.7Confident18 Ų1881.2 Ų81.211%0.10942%0.421CS..EExtended strand (participates in β ladder)trans-120129.2171.6-1770000106.4M3 I14 V80 L84M3-V5 HydrophobicContact CE-CG2 4.08Å; M3-V5 HydrophobicContact CG-CG2 4.29Å; M3-V5 HydrophobicContact SD-CG2 4.41Å; V5-I14 HydrophobicContact CG1-CG1 4.19Å; V5-I14 HydrophobicContact CG2-CG1 4.31Å; V5-I14 HydrophobicContact CG2-CG2 4.27Å; V5-V80 HydrophobicContact CB-CG1 4.35Å; V5-V80 HydrophobicContact CG1-CG1 4.28Å; V5-V80 HydrophobicContact CG2-CG1 3.95Å; V5-V80 HydrophobicContact CG2-CG2 4.08Å; V5-L84 HydrophobicContact CG1-CD2 3.74Å; V5-L84 HydrophobicContact CG1-CG 4.02Å
6K93.1Very high88.8Confident125 Ų12580.1 Ų80.154%0.54341%0.409SS..EExtended strand (participates in β ladder)trans-135.5138.6172.9-73-171.7175.2-172.80108.6T4 R13T4-K6 HydrophobicContact CG2-CG 4.3Å; K6-R13 PolarHBondContact N-O 2.88Å; K6-R13 PolarHBondContact O-N 2.9Å
7K92.1Very high88.7Confident49 Ų4986.2 Ų86.221%0.21343%0.426CS..EExtended strand (participates in β ladder)trans-115128.2170.8178.4177.5173.7-159.70108.4V12 E83 L84 K86K7-V12 HydrophobicContact CB-CG2 3.99Å; K7-V12 HydrophobicContact CD-CG2 4.1Å; K7-V12 HydrophobicContact CG-CG2 3.75Å; K7-E83 VanDerWaalsContact CB-O 3.32Å; K7-E83 WeakPolarHBondContact CB-O 3.41Å; K7-L84 WeakPolarHBondContact CD-O 3.49Å; K7-L84 WeakPolarHBondContact CE-O 3.5Å; K7-L84 PolarHBondContact NZ-O 3.28Å; K7-K86 WeakPolarHBondContact CE-OXT 3.41Å; K7-K86 PolarHBondContact NZ-OXT 3.11Å
8D89.7Confident88.7Confident101 Ų10189.9 Ų89.954%0.5445%0.454SS..  trans-108.9173.3165.9-64.4-49.6000108.9N10 E11 T25D8-N10 PolarHBondContact O-N 3.48Å; D8-N10 VanDerWaalsContact O-N 3.11Å; D8-E11 PolarHBondContact N-O 2.84Å; D8-T25 PolarHBondContact O-OG1 3.33Å
9N87.8Confident88.7Confident159 Ų15987.3 Ų87.385%0.8545%0.447SS*.SBendtrans-59.9-25-179.8-72.4-7.1000113.4
10N91.9Very high88.8Confident135 Ų13586.2 Ų86.272%0.72244%0.443SS*.SBendtrans-100-41-177.8-90.530000113.9D8 T25D8-N10 PolarHBondContact O-N 3.48Å; D8-N10 VanDerWaalsContact O-N 3.11Å; N10-T25 VanDerWaalsContact C-OG1 3.3Å; N10-T25 PolarHBondContact O-N 3.36Å; N10-T25 PolarHBondContact O-OG1 2.87Å
11E93.9Very high89Confident64 Ų6483.9 Ų83.930%0.29943%0.431SS..EExtended strand (participates in β ladder)trans-143.8149.1-17364.2178.8-15500112.4D8 I23 T25D8-E11 PolarHBondContact N-O 2.84Å; E11-I23 CarbonylContact C-O 3.58Å; E11-I23 VanDerWaalsContact CA-O 3.31Å; E11-I23 WeakPolarHBondContact CA-O 3.5Å; E11-T25 PolarHBondContact N-OG1 3.29Å
12V93.7Very high90.8Very high0 Ų079.4 Ų79.40%041%0.405CS..EExtended strand (participates in β ladder)trans-93123.9163.6170.30000108K7 I14 K22 I23 I28 I63 L84K7-V12 HydrophobicContact CB-CG2 3.99Å; K7-V12 HydrophobicContact CD-CG2 4.1Å; K7-V12 HydrophobicContact CG-CG2 3.75Å; V12-I14 HydrophobicContact CG1-CD1 4.17Å; V12-I14 HydrophobicContact CG1-CG1 4.01Å; V12-K22 WeakPolarHBondContact O-CA 3.49Å; V12-I23 HydrophobicContact CB-CB 4.38Å; V12-I23 PolarHBondContact N-O 2.84Å; V12-I23 PolarHBondContact O-N 3.14Å; V12-I28 HydrophobicContact CB-CD1 4.17Å; V12-I28 HydrophobicContact CG2-CD1 3.5Å; V12-I63 HydrophobicContact CG1-CD1 4.5Å; V12-L84 HydrophobicContact CB-CD2 4.23Å; V12-L84 HydrophobicContact CG1-CD2 3.32Å; V12-L84 HydrophobicContact CG2-CD2 3.81Å
13R94.4Very high91.5Very high95 Ų9575.2 Ų75.236%0.35837%0.371SS..EExtended strand (participates in β ladder)trans-111.8122.1175.6-166.3171.6-179-153.76.6110.9K6 D20 I21 K22K6-R13 PolarHBondContact N-O 2.88Å; K6-R13 PolarHBondContact O-N 2.9Å; R13-D20 IonicContact CZ-OD1 2.86Å; R13-D20 IonicContact CZ-OD2 3.2Å; R13-D20 VanDerWaalsContact CZ-OD2 3.23Å; R13-D20 IonicContact NE-OD1 2.69Å; R13-D20 PolarHBondContact NE-OD1 3.42Å; R13-D20 IonicContact NE-OD2 3.6Å; R13-D20 PolarHBondContact NE-OD2 3.42Å; R13-D20 IonicContact NH2-OD1 3.65Å; R13-D20 IonicContact NH2-OD2 3.23Å; R13-D20 PolarHBondContact NH2-OD2 2.99Å; R13-I21 CarbonylContact C-O 3.53Å; R13-I21 WeakPolarHBondContact CA-O 3.31Å; R13-K22 HydrophobicContact CG-CG 4.17Å
14I94.2Very high91.8Very high0 Ų075.3 Ų75.30%038%0.375CS..EExtended strand (participates in β ladder)trans-116.2117179-58.1155.8000107.8V5 V12 I21 I23 I51 I63 I72V5-I14 HydrophobicContact CG1-CG1 4.19Å; V5-I14 HydrophobicContact CG2-CG1 4.31Å; V5-I14 HydrophobicContact CG2-CG2 4.27Å; V12-I14 HydrophobicContact CG1-CD1 4.17Å; V12-I14 HydrophobicContact CG1-CG1 4.01Å; I14-I21 HydrophobicContact CB-CB 4.34Å; I14-I21 PolarHBondContact N-O 2.85Å; I14-I21 PolarHBondContact O-N 3.37Å; I14-I23 HydrophobicContact CD1-CD1 3.93Å; I14-I51 HydrophobicContact CD1-CD1 4.11Å; I14-I51 HydrophobicContact CG2-CD1 4.27Å; I14-I51 HydrophobicContact CG2-CG2 4.01Å; I14-I63 HydrophobicContact CD1-CD1 4.04Å; I14-I72 HydrophobicContact CD1-CD1 3.62Å; I14-I72 HydrophobicContact CD1-CG1 4.33Å; I14-I72 HydrophobicContact CG1-CD1 4.15Å
15Q93Very high91.7Very high76 Ų7674.2 Ų74.236%0.35537%0.368SS..EExtended strand (participates in β ladder)trans-109.5123.2173.5-72.9-175.1-38.700110.3T4 A19 D20T4-Q15 PolarHBondContact N-O 3.12Å; T4-Q15 PolarHBondContact O-N 2.84Å; Q15-A19 WeakPolarHBondContact CA-O 3.49Å; Q15-D20 PolarHBondContact NE2-OD2 2.76Å
16W90.6Very high91.6Very high64 Ų6478.7 Ų78.724%0.24240%0.4CS..EExtended strand (participates in β ladder)trans-140.8115175.618060.3000110.8M3 V18 A19 I51 G52M3-W16 HydrophobicContact CG-CB 4.46Å; W16-V18 PolarHBondContact O-N 3.33Å; W16-V18 VanDerWaalsContact O-N 3.12Å; W16-A19 PolarHBondContact N-O 3.21Å; W16-A19 WeakPolarHBondContact O-CB 3.29Å; W16-A19 PolarHBondContact O-N 2.81Å; W16-I51 HydrophobicContact CB-CG2 3.79Å; W16-I51 HydrophobicContact CD2-CG2 4.24Å; W16-I51 HydrophobicContact CE3-CG2 3.97Å; W16-I51 HydrophobicContact CG-CG2 4.19Å; W16-G52 VanDerWaalsContact CE3-N 3.34Å; W16-G52 WeakPolarHBondContact CH2-O 3.45Å; W16-G52 VanDerWaalsContact CZ2-CA 3.48Å; W16-G52 VanDerWaalsContact CZ2-O 3.31Å; W16-G52 WeakPolarHBondContact CZ2-O 3.44Å
17R87.7Confident91.5Very high183 Ų18376.6 Ų76.669%0.69139%0.392SS*.THydrogen-bonded Turntrans55.2-112.6-172.7-60.2-178.8169.9-173.1-1.1110.7M1M1-R17 HydrophobicContact SD-CG 4.21Å
18V88.7Confident91.5Very high153 Ų15375.6 Ų75.693%0.92739%0.389SS*.THydrogen-bonded Turntrans-97.8-7.1178.5-62.50000112.7W16W16-V18 PolarHBondContact O-N 3.33Å; W16-V18 VanDerWaalsContact O-N 3.12Å
19A88Confident91.6Very high40 Ų4077.4 Ų77.433%0.33139%0.392SS..EExtended strand (participates in β ladder)trans-82.5134.4178.100000110.3Q15 W16Q15-A19 WeakPolarHBondContact CA-O 3.49Å; W16-A19 PolarHBondContact N-O 3.21Å; W16-A19 WeakPolarHBondContact O-CB 3.29Å; W16-A19 PolarHBondContact O-N 2.81Å
20D91.7Very high91.8Very high66 Ų6673.7 Ų73.735%0.35337%0.372SS..EExtended strand (participates in β ladder)trans-127.5106.9173.8-163-51.6000107.7R13 Q15R13-D20 IonicContact CZ-OD1 2.86Å; R13-D20 IonicContact CZ-OD2 3.2Å; R13-D20 VanDerWaalsContact CZ-OD2 3.23Å; R13-D20 IonicContact NE-OD1 2.69Å; R13-D20 PolarHBondContact NE-OD1 3.42Å; R13-D20 IonicContact NE-OD2 3.6Å; R13-D20 PolarHBondContact NE-OD2 3.42Å; R13-D20 IonicContact NH2-OD1 3.65Å; R13-D20 IonicContact NH2-OD2 3.23Å; R13-D20 PolarHBondContact NH2-OD2 2.99Å; Q15-D20 PolarHBondContact NE2-OD2 2.76Å
21I92.6Very high91.8Very high37 Ų3768.4 Ų68.419%0.1934%0.344CS..EExtended strand (participates in β ladder)trans-111.1128.1-173.5-61.1163.2000107.2R13 I14 I23 I51 Y70R13-I21 CarbonylContact C-O 3.53Å; R13-I21 WeakPolarHBondContact CA-O 3.31Å; I14-I21 HydrophobicContact CB-CB 4.34Å; I14-I21 PolarHBondContact N-O 2.85Å; I14-I21 PolarHBondContact O-N 3.37Å; I21-I23 HydrophobicContact CG2-CD1 4.31Å; I21-I23 HydrophobicContact CG2-CG1 4.04Å; I21-I51 HydrophobicContact CD1-CD1 3.33Å; I21-I51 HydrophobicContact CD1-CG1 3.51Å; I21-I51 HydrophobicContact CD1-CG2 4.35Å; I21-Y70 HydrophobicContact CG2-CD1 4.16Å; I21-Y70 HydrophobicContact CG2-CE1 3.84Å
22K93.6Very high91.7Very high112 Ų11267.6 Ų67.649%0.48734%0.343SS..EExtended strand (participates in β ladder)trans-121.1124.1178.8-61.4-178.4179.6-167.30108.5V12 R13V12-K22 WeakPolarHBondContact O-CA 3.49Å; R13-K22 HydrophobicContact CG-CG 4.17Å
23I92.9Very high91.6Very high0 Ų070.8 Ų70.80%036%0.358CS..EExtended strand (participates in β ladder)trans-122118.2-178.4-54.6167.3000106.8E11 V12 I14 I21 T25 I28 I63 T65 Y70E11-I23 CarbonylContact C-O 3.58Å; E11-I23 VanDerWaalsContact CA-O 3.31Å; E11-I23 WeakPolarHBondContact CA-O 3.5Å; V12-I23 HydrophobicContact CB-CB 4.38Å; V12-I23 PolarHBondContact N-O 2.84Å; V12-I23 PolarHBondContact O-N 3.14Å; I14-I23 HydrophobicContact CD1-CD1 3.93Å; I21-I23 HydrophobicContact CG2-CD1 4.31Å; I21-I23 HydrophobicContact CG2-CG1 4.04Å; I23-T25 PolarHBondContact O-N 3.36Å; I23-I28 HydrophobicContact CG2-CD1 4.15Å; I23-I28 HydrophobicContact CG2-CG1 3.8Å; I23-I63 HydrophobicContact CD1-CD1 4.21Å; I23-T65 HydrophobicContact CG2-CG2 3.72Å; I23-Y70 HydrophobicContact CD1-CD1 3.85Å; I23-Y70 HydrophobicContact CD1-CD2 3.49Å; I23-Y70 VanDerWaalsContact CD1-CD2 3.49Å; I23-Y70 HydrophobicContact CD1-CE1 4.05Å; I23-Y70 HydrophobicContact CD1-CE2 3.71Å; I23-Y70 HydrophobicContact CD1-CG 3.56Å; I23-Y70 HydrophobicContact CG1-CD1 4.49Å; I23-Y70 HydrophobicContact CG1-CD2 4.23Å; I23-Y70 HydrophobicContact CG1-CE1 4.19Å; I23-Y70 HydrophobicContact CG1-CE2 3.91Å; I23-Y70 HydrophobicContact CG2-CE2 4.37Å
24P93.2Very high91.2Very high45 Ų4568.5 Ų68.529%0.29235%0.353SS..EExtended strand (participates in β ladder)trans-59131.3174.2-23.635.3000110.7S26 E27P24-S26 PolarHBondContact O-N 2.89Å; P24-S26 VanDerWaalsContact O-N 3.14Å; P24-E27 HydrophobicContact CB-CG 4.15Å; P24-E27 HydrophobicContact CG-CG 4.39Å; P24-E27 PolarHBondContact O-N 2.84Å
25T90.6Very high90.7Very high36 Ų3675.7 Ų75.722%0.22139%0.387CS..G310 helixtrans-62-25.5-179.5-53.80000111.5D8 N10 E11 I23 E27 I28D8-T25 PolarHBondContact O-OG1 3.33Å; N10-T25 VanDerWaalsContact C-OG1 3.3Å; N10-T25 PolarHBondContact O-N 3.36Å; N10-T25 PolarHBondContact O-OG1 2.87Å; E11-T25 PolarHBondContact N-OG1 3.29Å; I23-T25 PolarHBondContact O-N 3.36Å; T25-E27 VanDerWaalsContact C-N 3.28Å; T25-E27 PolarHBondContact O-N 2.82Å; T25-I28 PolarHBondContact O-N 2.85Å
26S90.3Very high90.3Very high112 Ų11276 Ų7678%0.78339%0.391SS*.G310 helixtrans-66.3-24.8174.4530000114.4P24P24-S26 PolarHBondContact O-N 2.89Å; P24-S26 VanDerWaalsContact O-N 3.14Å
27E91.4Very high89.8Confident82 Ų8274.9 Ų74.938%0.38339%0.389SS..G310 helixtrans-88.9-16.2-179.2-68.1177.2-164.400112.3P24 T25 K29 T65 E66P24-E27 HydrophobicContact CB-CG 4.15Å; P24-E27 HydrophobicContact CG-CG 4.39Å; P24-E27 PolarHBondContact O-N 2.84Å; T25-E27 VanDerWaalsContact C-N 3.28Å; T25-E27 PolarHBondContact O-N 2.82Å; E27-K29 PolarHBondContact O-N 2.88Å; E27-T65 CarbonylContact O-C 3.58Å; E27-T65 WeakPolarHBondContact O-CA 3.47Å; E27-T65 WeakPolarHBondContact O-CB 3.31Å; E27-E66 PolarHBondContact O-N 2.95Å
28I91.9Very high89.2Confident28 Ų2873.7 Ų73.714%0.14439%0.391CS..  trans-74.8110.5-178-58.9175.7000109.1V12 I23 T25 I31 I63 T65V12-I28 HydrophobicContact CB-CD1 4.17Å; V12-I28 HydrophobicContact CG2-CD1 3.5Å; I23-I28 HydrophobicContact CG2-CD1 4.15Å; I23-I28 HydrophobicContact CG2-CG1 3.8Å; T25-I28 PolarHBondContact O-N 2.85Å; I28-I31 HydrophobicContact CG2-CD1 3.91Å; I28-I31 HydrophobicContact CG2-CG1 3.64Å; I28-I63 HydrophobicContact CB-CG2 4.35Å; I28-I63 HydrophobicContact CD1-CG2 4Å; I28-I63 HydrophobicContact CG1-CG2 3.83Å; I28-I63 HydrophobicContact CG2-CG2 3.74Å; I28-T65 HydrophobicContact CG1-CG2 4.4Å
29K91.8Very high88.8Confident138 Ų13867.7 Ų67.760%0.636%0.357SS*.  trans-80.6-44175.2-76.4-179172.1162.10111.8E27 D64 E66E27-K29 PolarHBondContact O-N 2.88Å; K29-D64 PolarHBondContact N-O 3.31Å; K29-E66 HydrophobicContact CD-CG 4.48Å; K29-E66 VanDerWaalsContact CE-CG 3.48Å
30N91.3Very high88.2Confident82 Ų8272 Ų7244%0.43938%0.379SS..EExtended strand (participates in β ladder)trans-153.7152.8-174-159.522.3000112.1T32 D64N30-T32 WeakPolarHBondContact ND2-CG2 3.14Å; N30-D64 HydrophobicContact CB-CB 4.22Å; N30-D64 PolarHBondContact N-O 2.83Å; N30-D64 PolarHBondContact O-N 2.98Å
31I92.7Very high87.5Confident24 Ų2470 Ų7012%0.12337%0.37CS..EExtended strand (participates in β ladder)trans-130.9125.2176.5-49-174.2000107.6I28 V61 I62 I63 Y81 L84I28-I31 HydrophobicContact CG2-CD1 3.91Å; I28-I31 HydrophobicContact CG2-CG1 3.64Å; I31-V61 HydrophobicContact CG2-CG1 4.07Å; I31-I62 CarbonylContact C-O 3.52Å; I31-I62 WeakPolarHBondContact CA-O 3.39Å; I31-I63 HydrophobicContact CG2-CG1 4.47Å; I31-Y81 HydrophobicContact CB-CE2 4.43Å; I31-Y81 HydrophobicContact CG2-CD2 3.9Å; I31-Y81 HydrophobicContact CG2-CE2 4.03Å; I31-L84 HydrophobicContact CD1-CB 3.73Å; I31-L84 HydrophobicContact CG2-CB 4.25Å; I31-L84 HydrophobicContact CG2-CD1 4.11Å
32T92Very high86.6Confident47 Ų4776.1 Ų76.129%0.28840%0.395SS..EExtended strand (participates in β ladder)trans-134.1152.9-177.657.90000111.5N30 V61 I62N30-T32 WeakPolarHBondContact ND2-CG2 3.14Å; T32-V61 CarbonylContact O-C 3.58Å; T32-V61 WeakPolarHBondContact O-CA 3.34Å; T32-I62 PolarHBondContact N-O 3.12Å; T32-I62 PolarHBondContact O-N 2.93Å
33Q90.5Very high85.9Confident67 Ų6774 Ų7431%0.31339%0.389SS..EExtended strand (participates in β ladder)trans-105.9136.7171.8-67.6175.3-89.900108.9R60 V61 D77 Y81Q33-R60 WeakPolarHBondContact CA-O 3.45Å; Q33-V61 HydrophobicContact CG-CG2 4.4Å; Q33-D77 PolarHBondContact NE2-OD2 3.34Å; Q33-Y81 VanDerWaalsContact CD-CB 3.46Å; Q33-Y81 VanDerWaalsContact CD-CG 3.43Å; Q33-Y81 HydrophobicContact CG-CD1 4.42Å; Q33-Y81 HydrophobicContact CG-CD2 3.51Å; Q33-Y81 HydrophobicContact CG-CE2 4.19Å; Q33-Y81 HydrophobicContact CG-CG 3.63Å; Q33-Y81 VanDerWaalsContact OE1-CG 3.23Å
34D87.3Confident85.4Confident46 Ų4679.8 Ų79.825%0.24642%0.42CS..EExtended strand (participates in β ladder)trans-135.5134.2176.9-170.6-0.4000110.2D36 R60 I62D34-D36 PolarHBondContact OD1-N 3Å; D34-R60 HydrophobicContact CB-CB 4.37Å; D34-R60 PolarHBondContact N-O 2.8Å; D34-R60 WeakPolarHBondContact O-CA 3.38Å; D34-R60 PolarHBondContact O-N 2.82Å; D34-R60 IonicContact OD2-CZ 3.62Å; D34-R60 IonicContact OD2-NE 3.78Å; D34-R60 IonicContact OD2-NH2 3.95Å; D34-R60 PolarHBondContact OD2-NH2 2.83Å; D34-I62 HydrophobicContact CB-CD1 4.11Å
35Q84.1Confident84.7Confident152 Ų15282.4 Ų82.471%0.7144%0.439SS*.  trans-93.6-16.4177.1-62.5-175.6-2.800112.1I37Q35-I37 PolarHBondContact O-N 2.79Å; Q35-I37 VanDerWaalsContact O-N 3.14Å
36D84.4Confident84.3Confident83 Ų8389.4 Ų89.444%0.44447%0.466SS..  trans-81.193.6176.5-175.3-2.2000110.3D34 H38 A39 R60D34-D36 PolarHBondContact OD1-N 3Å; D36-H38 PolarHBondContact O-N 2.9Å; D36-H38 PolarHBondContact OD1-N 3.11Å; D36-A39 HydrophobicContact CB-CB 4.11Å; D36-A39 PolarHBondContact O-N 2.63Å; D36-A39 PolarHBondContact OD1-N 2.79Å; D36-R60 PolarHBondContact O-NE 2.82Å; D36-R60 PolarHBondContact O-NH1 2.87Å; D36-R60 PolarHBondContact O-NH2 2.69Å
37I79.2Confident84.3Confident39 Ų3986.8 Ų86.820%0.244%0.444CS..THydrogen-bonded Turntrans-61.7-18.3179.662.1170.8000114.2Q35 T58 R60 Y73Q35-I37 PolarHBondContact O-N 2.79Å; Q35-I37 VanDerWaalsContact O-N 3.14Å; I37-T58 WeakPolarHBondContact CG2-O 3.31Å; I37-R60 HydrophobicContact CG2-CG 4.21Å; I37-R60 PolarHBondContact O-NH1 2.89Å; I37-Y73 HydrophobicContact CB-CE1 4.5Å
38H76.2Confident84.3Confident159 Ų15983.8 Ų83.874%0.73643%0.431SS*.THydrogen-bonded Turntrans-99.1-5.5-175.3-61.8-60.2000113.7D36D36-H38 PolarHBondContact O-N 2.9Å; D36-H38 PolarHBondContact OD1-N 3.11Å
39A79.3Confident84.2Confident27 Ų2784.5 Ų84.522%0.22344%0.438CS..PPolyproline II helixtrans-61.2143.2-179.300000111.8D36 R60D36-A39 HydrophobicContact CB-CB 4.11Å; D36-A39 PolarHBondContact O-N 2.63Å; D36-A39 PolarHBondContact OD1-N 2.79Å; A39-R60 PolarHBondContact O-NH1 3.2Å
40V76.4Confident84.1Confident131 Ų13184.7 Ų84.779%0.79444%0.435SS*.PPolyproline II helixtrans-74.7130.7-175.1-171.20000109.1
41P76.9Confident84.1Confident23 Ų2381 Ų8115%0.14942%0.415CS..PPolyproline II helixtrans-54.1149.5171.4-24.134.1000111.3L43 V48 E69 I71P41-L43 VanDerWaalsContact C-N 3.33Å; P41-V48 HydrophobicContact CB-CB 4.49Å; P41-V48 HydrophobicContact CB-CG1 4.15Å; P41-V48 HydrophobicContact CB-CG2 3.63Å; P41-V48 HydrophobicContact CG-CG1 4.06Å; P41-V48 HydrophobicContact CG-CG2 4.24Å; P41-E69 WeakPolarHBondContact CB-OE1 3.32Å; P41-I71 HydrophobicContact CB-CD1 4.38Å; P41-I71 HydrophobicContact CG-CD1 4Å
42K73.3Confident83.9Confident165 Ų16580.4 Ų80.472%0.71742%0.415SS*.SBendtrans-71.5-35.5175.6-68.7175.4-171.2158.10111.7D64 E69K42-D64 IonicContact NZ-OD2 3.48Å; K42-D64 PolarHBondContact NZ-OD2 3.36Å; K42-E69 PolarHBondContact N-OE2 2.86Å
43L78.9Confident83.6Confident68 Ų6880.8 Ų80.836%0.35642%0.42SS..SBendtrans-89.2161.3-177.8-81.2163.6000111.9P41 D47 V48 E69P41-L43 VanDerWaalsContact C-N 3.33Å; L43-D47 HydrophobicContact CB-CB 4.38Å; L43-V48 HydrophobicContact CB-CG2 3.95Å; L43-E69 HydrophobicContact CD1-CB 3.96Å
44D81.8Confident83.2Confident122 Ų12281.1 Ų81.165%0.65243%0.427SS*.  trans-63149176-124.5-44.8000110.4K46 D47 V48D44-K46 PolarHBondContact O-N 3.27Å; D44-D47 PolarHBondContact O-N 3.01Å; D44-V48 WeakPolarHBondContact O-CG2 3.48Å
45S78.1Confident82.8Confident99 Ų9987.2 Ų87.269%0.69245%0.451SS*.THydrogen-bonded Turntrans-57.3-17.5-17354.90000115.4
46K82.8Confident82.5Confident184 Ų18482.6 Ų82.680%0.844%0.444SS*.THydrogen-bonded Turntrans-76.3-28176.6-65.5-178.8-178.6176.40113.2D44D44-K46 PolarHBondContact O-N 3.27Å
47D89.9Confident82.2Confident57 Ų5788.2 Ų88.231%0.30547%0.465SS..SBendtrans-103.113.2-174.6-55.1-52.2000111.4L43 D44 H68 E69L43-D47 HydrophobicContact CB-CB 4.38Å; D44-D47 PolarHBondContact O-N 3.01Å; D47-H68 CarbonylContact O-C 3.54Å; D47-H68 VanDerWaalsContact O-CA 3.29Å; D47-H68 WeakPolarHBondContact O-CA 3.41Å; D47-H68 IonicContact OD1-CE1 3.33Å; D47-H68 PolarHBondContact OD1-CE1 2.8Å; D47-H68 IonicContact OD1-ND1 2.63Å; D47-E69 PolarHBondContact O-N 2.69Å
48V90.6Very high82.5Confident18 Ų1886.8 Ų86.811%0.10946%0.458CS..EExtended strand (participates in β ladder)trans-116.5115.8-177.7-179.30000109.9P41 L43 D44 R50 E69 I71P41-V48 HydrophobicContact CB-CB 4.49Å; P41-V48 HydrophobicContact CB-CG1 4.15Å; P41-V48 HydrophobicContact CB-CG2 3.63Å; P41-V48 HydrophobicContact CG-CG1 4.06Å; P41-V48 HydrophobicContact CG-CG2 4.24Å; L43-V48 HydrophobicContact CB-CG2 3.95Å; D44-V48 WeakPolarHBondContact O-CG2 3.48Å; V48-R50 HydrophobicContact CG1-CG 4.26Å; V48-E69 CarbonylContact C-O 3.59Å; V48-E69 VanDerWaalsContact CA-O 3.31Å; V48-E69 WeakPolarHBondContact CA-O 3.34Å; V48-E69 HydrophobicContact CG2-CB 4.17Å; V48-I71 HydrophobicContact CG1-CD1 3.63Å; V48-I71 HydrophobicContact CG1-CG1 4.06Å
49S90.6Very high83.2Confident44 Ų4481 Ų8131%0.30843%0.433SS..EExtended strand (participates in β ladder)trans-98.7116174.8-79.50000111E69 Y70 I71S49-E69 PolarHBondContact N-O 3.38Å; S49-Y70 WeakPolarHBondContact O-CA 3.42Å; S49-I71 PolarHBondContact O-N 3.14Å
50R90Very high83.8Confident141 Ų14180 Ų8053%0.53242%0.423SS..EExtended strand (participates in β ladder)trans-98.3120.6178.5-63.9-178-174.9-1363.7110.4V48 Y73V48-R50 HydrophobicContact CG1-CG 4.26Å; R50-Y73 HydrophobicContact CB-CE2 3.94Å; R50-Y73 HydrophobicContact CG-CE2 4.11Å; R50-Y73 PolarHBondContact NH1-OH 2.78Å
51I90.5Very high84.6Confident4 Ų473.8 Ų73.82%0.02139%0.385CS..EExtended strand (participates in β ladder)trans-123.4131.2-173-50161.3000108.4I14 W16 I21 Y70 I71 I72 Y73I14-I51 HydrophobicContact CD1-CD1 4.11Å; I14-I51 HydrophobicContact CG2-CD1 4.27Å; I14-I51 HydrophobicContact CG2-CG2 4.01Å; W16-I51 HydrophobicContact CB-CG2 3.79Å; W16-I51 HydrophobicContact CD2-CG2 4.24Å; W16-I51 HydrophobicContact CE3-CG2 3.97Å; W16-I51 HydrophobicContact CG-CG2 4.19Å; I21-I51 HydrophobicContact CD1-CD1 3.33Å; I21-I51 HydrophobicContact CD1-CG1 3.51Å; I21-I51 HydrophobicContact CD1-CG2 4.35Å; I51-Y70 HydrophobicContact CD1-CD1 4.2Å; I51-I71 PolarHBondContact N-O 2.85Å; I51-I72 HydrophobicContact CD1-CG1 4.24Å; I51-I72 CarbonylContact O-C 3.52Å; I51-I72 WeakPolarHBondContact O-CA 2.93Å; I51-Y73 PolarHBondContact O-N 2.95Å
52G89.3Confident85.4Confident12 Ų1273.5 Ų73.512%0.12438%0.382CS..EExtended strand (participates in β ladder)trans103.7-176.117700000114W16W16-G52 VanDerWaalsContact CE3-N 3.34Å; W16-G52 WeakPolarHBondContact CH2-O 3.45Å; W16-G52 VanDerWaalsContact CZ2-CA 3.48Å; W16-G52 VanDerWaalsContact CZ2-O 3.31Å; W16-G52 WeakPolarHBondContact CZ2-O 3.44Å
53S84.6Confident86.3Confident55 Ų5565.6 Ų65.639%0.38535%0.348SS..  trans-96.9127.6-176.7173.50000110.1F55 T58 Y73S53-F55 VanDerWaalsContact C-N 3.27Å; S53-F55 PolarHBondContact OG-N 3.21Å; S53-T58 WeakPolarHBondContact O-CG2 3.4Å; S53-T58 PolarHBondContact O-OG1 3.17Å; S53-Y73 VanDerWaalsContact O-CB 3.25Å; S53-Y73 WeakPolarHBondContact O-CB 3.36Å
54T83.9Confident87Confident75 Ų7563.4 Ų63.446%0.4634%0.337SS..  trans-83.9-1.9171.658.20000113.1Y73T54-Y73 HydrophobicContact CG2-CD1 3.74Å; T54-Y73 HydrophobicContact CG2-CD2 4.1Å; T54-Y73 HydrophobicContact CG2-CE1 3.74Å; T54-Y73 HydrophobicContact CG2-CE2 4.17Å; T54-Y73 HydrophobicContact CG2-CG 3.91Å
55F78.3Confident87.5Confident173 Ų17358.1 Ų58.176%0.75931%0.309SS*.SBendtrans-79133.9-179-91.6-87000112.7S53 T58S53-F55 VanDerWaalsContact C-N 3.27Å; S53-F55 PolarHBondContact OG-N 3.21Å; F55-T58 WeakPolarHBondContact O-CG2 3.49Å
56G76.7Confident87.9Confident55 Ų5559.3 Ų59.357%0.56730%0.303SS*.SBendtrans81.8-166.4175.300000113.3T58G56-T58 PolarHBondContact O-N 2.81Å
57K78.8Confident88.2Confident202 Ų20256.2 Ų56.288%0.87830%0.296SS*.SBendtrans-72.780.4174.9-68.1-172.9178.3-174.40109.8
58T86.5Confident88.2Confident8 Ų856.1 Ų56.15%0.04929%0.293CS..  trans-110.3144.5174.251.40000108.3I37 S53 F55 G56 Q75I37-T58 WeakPolarHBondContact CG2-O 3.31Å; S53-T58 WeakPolarHBondContact O-CG2 3.4Å; S53-T58 PolarHBondContact O-OG1 3.17Å; F55-T58 WeakPolarHBondContact O-CG2 3.49Å; G56-T58 PolarHBondContact O-N 2.81Å; T58-Q75 HydrophobicContact CG2-CG 3.64Å
59N90.4Very high88.3Confident39 Ų3955.6 Ų55.621%0.20929%0.289CS..EExtended strand (participates in β ladder)trans-104.8172.1171.5-66.3-33.2000108.5Y73 T74 D77N59-Y73 WeakPolarHBondContact O-CA 3.48Å; N59-T74 PolarHBondContact N-O 2.79Å; N59-T74 PolarHBondContact O-N 2.87Å; N59-D77 HydrophobicContact CB-CB 3.72Å; N59-D77 VanDerWaalsContact CB-CG 3.47Å; N59-D77 VanDerWaalsContact ND2-CG 3.33Å; N59-D77 PolarHBondContact ND2-OD1 2.9Å
60R91.9Very high88.5Confident5 Ų555 Ų552%0.01928%0.281CS..EExtended strand (participates in β ladder)trans-113.6135.6179.6-52.8-167.9-62.3-17814.6110.3Q33 D34 D36 I37 A39 I71 I72 Y73Q33-R60 WeakPolarHBondContact CA-O 3.45Å; D34-R60 HydrophobicContact CB-CB 4.37Å; D34-R60 PolarHBondContact N-O 2.8Å; D34-R60 WeakPolarHBondContact O-CA 3.38Å; D34-R60 PolarHBondContact O-N 2.82Å; D34-R60 IonicContact OD2-CZ 3.62Å; D34-R60 IonicContact OD2-NE 3.78Å; D34-R60 IonicContact OD2-NH2 3.95Å; D34-R60 PolarHBondContact OD2-NH2 2.83Å; D36-R60 PolarHBondContact O-NE 2.82Å; D36-R60 PolarHBondContact O-NH1 2.87Å; D36-R60 PolarHBondContact O-NH2 2.69Å; I37-R60 HydrophobicContact CG2-CG 4.21Å; I37-R60 PolarHBondContact O-NH1 2.89Å; A39-R60 PolarHBondContact O-NH1 3.2Å; R60-I71 HydrophobicContact CB-CG2 4.06Å; R60-I71 HydrophobicContact CG-CG2 4.2Å; R60-I72 CarbonylContact C-O 3.54Å; R60-I72 VanDerWaalsContact CA-O 3.29Å; R60-I72 WeakPolarHBondContact CA-O 3.35Å; R60-Y73 HydrophobicContact CG-CD1 3.77Å; R60-Y73 HydrophobicContact CG-CE1 3.69Å
61V93.4Very high88.6Confident0 Ų048.4 Ų48.40%026%0.256CS..EExtended strand (participates in β ladder)trans-111.1122162.4-174.30000107.1I31 T32 Q33 I72 T74 D77 V80 Y81 L84I31-V61 HydrophobicContact CG2-CG1 4.07Å; T32-V61 CarbonylContact O-C 3.58Å; T32-V61 WeakPolarHBondContact O-CA 3.34Å; Q33-V61 HydrophobicContact CG-CG2 4.4Å; V61-I72 HydrophobicContact CB-CB 4.35Å; V61-I72 PolarHBondContact N-O 3.46Å; V61-I72 PolarHBondContact O-N 3.22Å; V61-T74 HydrophobicContact CG2-CG2 4.43Å; V61-D77 HydrophobicContact CG2-CB 3.77Å; V61-V80 HydrophobicContact CB-CG1 4.19Å; V61-V80 HydrophobicContact CG1-CG1 4.29Å; V61-V80 HydrophobicContact CG2-CB 4.17Å; V61-V80 HydrophobicContact CG2-CG1 3.99Å; V61-Y81 HydrophobicContact CG1-CD2 4.48Å; V61-L84 HydrophobicContact CG1-CD1 3.8Å
62I92.8Very high88.7Confident17 Ų1748.2 Ų48.29%0.08726%0.255CS..EExtended strand (participates in β ladder)trans-106.8129-175.3-53.7171.7000107.8I31 T32 D34 D64 E69 Y70I31-I62 CarbonylContact C-O 3.52Å; I31-I62 WeakPolarHBondContact CA-O 3.39Å; T32-I62 PolarHBondContact N-O 3.12Å; T32-I62 PolarHBondContact O-N 2.93Å; D34-I62 HydrophobicContact CB-CD1 4.11Å; I62-D64 WeakPolarHBondContact CG2-OD1 3.01Å; I62-E69 HydrophobicContact CG2-CG 3.6Å; I62-Y70 CarbonylContact C-O 3.59Å; I62-Y70 WeakPolarHBondContact CA-O 3.35Å
63I93.3Very high88.8Confident0 Ų047.9 Ų47.90%025%0.25CS..EExtended strand (participates in β ladder)trans-113.6110173.4-53172000106.6V12 I14 I23 I28 I31 T65 Y70 I72 L84V12-I63 HydrophobicContact CG1-CD1 4.5Å; I14-I63 HydrophobicContact CD1-CD1 4.04Å; I23-I63 HydrophobicContact CD1-CD1 4.21Å; I28-I63 HydrophobicContact CB-CG2 4.35Å; I28-I63 HydrophobicContact CD1-CG2 4Å; I28-I63 HydrophobicContact CG1-CG2 3.83Å; I28-I63 HydrophobicContact CG2-CG2 3.74Å; I31-I63 HydrophobicContact CG2-CG1 4.47Å; I63-T65 HydrophobicContact CG2-CG2 4.39Å; I63-Y70 PolarHBondContact N-O 2.76Å; I63-Y70 PolarHBondContact O-N 2.85Å; I63-I72 HydrophobicContact CD1-CD1 3.99Å; I63-L84 HydrophobicContact CD1-CD1 3.81Å; I63-L84 HydrophobicContact CD1-CD2 4.03Å; I63-L84 HydrophobicContact CG1-CD1 4.08Å
64D92.7Very high89.1Confident22 Ų2246.1 Ų46.112%0.11824%0.237CC..EExtended strand (participates in β ladder)trans-86.9118.7175.4-67.4-17.3000107.8K29 N30 K42 I62K29-D64 PolarHBondContact N-O 3.31Å; N30-D64 HydrophobicContact CB-CB 4.22Å; N30-D64 PolarHBondContact N-O 2.83Å; N30-D64 PolarHBondContact O-N 2.98Å; K42-D64 IonicContact NZ-OD2 3.48Å; K42-D64 PolarHBondContact NZ-OD2 3.36Å; I62-D64 WeakPolarHBondContact CG2-OD1 3.01Å
65T91.6Very high89.3Confident10 Ų1048.8 Ų48.86%0.06124%0.244CC..  trans-103.5-174.2168.774.80000111.5I23 E27 I28 I63 H68 Y70I23-T65 HydrophobicContact CG2-CG2 3.72Å; E27-T65 CarbonylContact O-C 3.58Å; E27-T65 WeakPolarHBondContact O-CA 3.47Å; E27-T65 WeakPolarHBondContact O-CB 3.31Å; I28-T65 HydrophobicContact CG1-CG2 4.4Å; I63-T65 HydrophobicContact CG2-CG2 4.39Å; T65-H68 WeakPolarHBondContact CA-O 3.28Å; T65-H68 PolarHBondContact N-O 3.07Å; T65-H68 WeakPolarHBondContact OG1-CA 3.21Å; T65-H68 WeakPolarHBondContact OG1-CB 3.37Å; T65-H68 PolarHBondContact OG1-N 2.96Å; T65-H68 VanDerWaalsContact OG1-N 3.12Å; T65-H68 PolarHBondContact OG1-O 2.89Å; T65-Y70 HydrophobicContact CG2-CD2 4.02Å; T65-Y70 HydrophobicContact CG2-CE2 3.78Å
66E87.3Confident89.8Confident125 Ų12545.6 Ų45.658%0.58424%0.235SC*.SBendtrans-58.4-48.7177.3-88.6-166.7156.600112.8E27 K29E27-E66 PolarHBondContact O-N 2.95Å; K29-E66 HydrophobicContact CD-CG 4.48Å; K29-E66 VanDerWaalsContact CE-CG 3.48Å
67D88.3Confident90.4Very high119 Ų11943.9 Ų43.964%0.63621%0.213SC*.SBendtrans-123.2-2-170-59.7-30000113
68H91.8Very high90.9Very high55 Ų5538.9 Ų38.926%0.25519%0.193SC..  trans-140.3150-176.1-94.151.3000112.7D47 T65 Y70D47-H68 CarbonylContact O-C 3.54Å; D47-H68 VanDerWaalsContact O-CA 3.29Å; D47-H68 WeakPolarHBondContact O-CA 3.41Å; D47-H68 IonicContact OD1-CE1 3.33Å; D47-H68 PolarHBondContact OD1-CE1 2.8Å; D47-H68 IonicContact OD1-ND1 2.63Å; T65-H68 WeakPolarHBondContact CA-O 3.28Å; T65-H68 PolarHBondContact N-O 3.07Å; T65-H68 WeakPolarHBondContact OG1-CA 3.21Å; T65-H68 WeakPolarHBondContact OG1-CB 3.37Å; T65-H68 PolarHBondContact OG1-N 2.96Å; T65-H68 VanDerWaalsContact OG1-N 3.12Å; T65-H68 PolarHBondContact OG1-O 2.89Å; H68-Y70 HydrophobicContact CB-CE2 3.86Å
69E92.3Very high91.2Very high6 Ų646 Ų463%0.02822%0.223CC..EExtended strand (participates in β ladder)trans-114.8125.2172.6-162.8179.287.700109.4P41 K42 L43 D47 V48 S49 I62 I71P41-E69 WeakPolarHBondContact CB-OE1 3.32Å; K42-E69 PolarHBondContact N-OE2 2.86Å; L43-E69 HydrophobicContact CD1-CB 3.96Å; D47-E69 PolarHBondContact O-N 2.69Å; V48-E69 CarbonylContact C-O 3.59Å; V48-E69 VanDerWaalsContact CA-O 3.31Å; V48-E69 WeakPolarHBondContact CA-O 3.34Å; V48-E69 HydrophobicContact CG2-CB 4.17Å; S49-E69 PolarHBondContact N-O 3.38Å; I62-E69 HydrophobicContact CG2-CG 3.6Å; E69-I71 HydrophobicContact CG-CG1 4.38Å; E69-I71 WeakPolarHBondContact OE1-CD1 3.4Å
70Y93.2Very high91.3Very high33 Ų3344.7 Ų44.713%0.12922%0.216CC..EExtended strand (participates in β ladder)trans-107.3117.4175.3-59.3-95.8000109.9I21 I23 S49 I51 I62 I63 T65 H68I21-Y70 HydrophobicContact CG2-CD1 4.16Å; I21-Y70 HydrophobicContact CG2-CE1 3.84Å; I23-Y70 HydrophobicContact CD1-CD1 3.85Å; I23-Y70 HydrophobicContact CD1-CD2 3.49Å; I23-Y70 VanDerWaalsContact CD1-CD2 3.49Å; I23-Y70 HydrophobicContact CD1-CE1 4.05Å; I23-Y70 HydrophobicContact CD1-CE2 3.71Å; I23-Y70 HydrophobicContact CD1-CG 3.56Å; I23-Y70 HydrophobicContact CG1-CD1 4.49Å; I23-Y70 HydrophobicContact CG1-CD2 4.23Å; I23-Y70 HydrophobicContact CG1-CE1 4.19Å; I23-Y70 HydrophobicContact CG1-CE2 3.91Å; I23-Y70 HydrophobicContact CG2-CE2 4.37Å; S49-Y70 WeakPolarHBondContact O-CA 3.42Å; I51-Y70 HydrophobicContact CD1-CD1 4.2Å; I62-Y70 CarbonylContact C-O 3.59Å; I62-Y70 WeakPolarHBondContact CA-O 3.35Å; I63-Y70 PolarHBondContact N-O 2.76Å; I63-Y70 PolarHBondContact O-N 2.85Å; T65-Y70 HydrophobicContact CG2-CD2 4.02Å; T65-Y70 HydrophobicContact CG2-CE2 3.78Å; H68-Y70 HydrophobicContact CB-CE2 3.86Å
71I92.6Very high91.3Very high1 Ų147.8 Ų47.81%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-107.2112.6180-53177.6000109P41 V48 S49 I51 R60 E69 Y73P41-I71 HydrophobicContact CB-CD1 4.38Å; P41-I71 HydrophobicContact CG-CD1 4Å; V48-I71 HydrophobicContact CG1-CD1 3.63Å; V48-I71 HydrophobicContact CG1-CG1 4.06Å; S49-I71 PolarHBondContact O-N 3.14Å; I51-I71 PolarHBondContact N-O 2.85Å; R60-I71 HydrophobicContact CB-CG2 4.06Å; R60-I71 HydrophobicContact CG-CG2 4.2Å; E69-I71 HydrophobicContact CG-CG1 4.38Å; E69-I71 WeakPolarHBondContact OE1-CD1 3.4Å; I71-Y73 HydrophobicContact CB-CE2 4.15Å; I71-Y73 HydrophobicContact CG2-CD2 4.23Å; I71-Y73 HydrophobicContact CG2-CE1 4.34Å; I71-Y73 HydrophobicContact CG2-CE2 3.57Å
72I92.7Very high91.3Very high0 Ų051.6 Ų51.60%025%0.249CC..EExtended strand (participates in β ladder)trans-99.7114.4179.3-54.8174.6000109.7M3 I14 I51 R60 V61 I63 T74 V80 L84M3-I72 HydrophobicContact CE-CG2 3.53Å; M3-I72 HydrophobicContact SD-CG2 3.37Å; M3-I72 WeakPolarHBondContact SD-CG2 3.47Å; I14-I72 HydrophobicContact CD1-CD1 3.62Å; I14-I72 HydrophobicContact CD1-CG1 4.33Å; I14-I72 HydrophobicContact CG1-CD1 4.15Å; I51-I72 HydrophobicContact CD1-CG1 4.24Å; I51-I72 CarbonylContact O-C 3.52Å; I51-I72 WeakPolarHBondContact O-CA 2.93Å; R60-I72 CarbonylContact C-O 3.54Å; R60-I72 VanDerWaalsContact CA-O 3.29Å; R60-I72 WeakPolarHBondContact CA-O 3.35Å; V61-I72 HydrophobicContact CB-CB 4.35Å; V61-I72 PolarHBondContact N-O 3.46Å; V61-I72 PolarHBondContact O-N 3.22Å; I63-I72 HydrophobicContact CD1-CD1 3.99Å; I72-T74 HydrophobicContact CG2-CG2 4.37Å; I72-V80 HydrophobicContact CD1-CG1 4.15Å; I72-L84 HydrophobicContact CD1-CD1 4.5Å
73Y91.9Very high91.2Very high6 Ų653.2 Ų53.22%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-90.5117.1174.3-59.8-94.9000110.6I37 R50 I51 S53 T54 N59 R60 I71I37-Y73 HydrophobicContact CB-CE1 4.5Å; R50-Y73 HydrophobicContact CB-CE2 3.94Å; R50-Y73 HydrophobicContact CG-CE2 4.11Å; R50-Y73 PolarHBondContact NH1-OH 2.78Å; I51-Y73 PolarHBondContact O-N 2.95Å; S53-Y73 VanDerWaalsContact O-CB 3.25Å; S53-Y73 WeakPolarHBondContact O-CB 3.36Å; T54-Y73 HydrophobicContact CG2-CD1 3.74Å; T54-Y73 HydrophobicContact CG2-CD2 4.1Å; T54-Y73 HydrophobicContact CG2-CE1 3.74Å; T54-Y73 HydrophobicContact CG2-CE2 4.17Å; T54-Y73 HydrophobicContact CG2-CG 3.91Å; N59-Y73 WeakPolarHBondContact O-CA 3.48Å; R60-Y73 HydrophobicContact CG-CD1 3.77Å; R60-Y73 HydrophobicContact CG-CE1 3.69Å; I71-Y73 HydrophobicContact CB-CE2 4.15Å; I71-Y73 HydrophobicContact CG2-CD2 4.23Å; I71-Y73 HydrophobicContact CG2-CE1 4.34Å; I71-Y73 HydrophobicContact CG2-CE2 3.57Å
74T89.9Confident91.1Very high17 Ų1753.2 Ų53.210%0.10426%0.256CS..EExtended strand (participates in β ladder)trans-152.3150.9-176.1179.90000112.1M3 N59 V61 I72 N76 D77 V80M3-T74 HydrophobicContact CE-CG2 4.02Å; N59-T74 PolarHBondContact N-O 2.79Å; N59-T74 PolarHBondContact O-N 2.87Å; V61-T74 HydrophobicContact CG2-CG2 4.43Å; I72-T74 HydrophobicContact CG2-CG2 4.37Å; T74-N76 VanDerWaalsContact C-N 3.31Å; T74-N76 PolarHBondContact OG1-N 3.09Å; T74-N76 VanDerWaalsContact OG1-N 3.11Å; T74-D77 HydrophobicContact CG2-CB 3.96Å; T74-V80 HydrophobicContact CG2-CB 4.44Å; T74-V80 HydrophobicContact CG2-CG2 4.03Å
75Q88.8Confident90.8Very high131 Ų13155.4 Ų55.461%0.61227%0.27SS*.SBendtrans-81.1-16.1171.4-59-174-30.800112.4T58T58-Q75 HydrophobicContact CG2-CG 3.64Å
76N88.8Confident90.4Very high107 Ų10763.3 Ų63.357%0.57230%0.304SS*.  trans-112.347.7-178.9-65.7-35.4000110.1T74 Q78 K79 V80T74-N76 VanDerWaalsContact C-N 3.31Å; T74-N76 PolarHBondContact OG1-N 3.09Å; T74-N76 VanDerWaalsContact OG1-N 3.11Å; N76-Q78 VanDerWaalsContact C-N 3.28Å; N76-Q78 PolarHBondContact O-N 3.01Å; N76-K79 HydrophobicContact CB-CB 4.28Å; N76-K79 PolarHBondContact O-N 3.43Å; N76-K79 VanDerWaalsContact O-N 3.13Å; N76-V80 PolarHBondContact O-N 3.17Å; N76-V80 VanDerWaalsContact O-N 3.17Å
77D89.8Confident90.5Very high19 Ų1960.2 Ų60.210%0.10229%0.29CS..Hα-helixtrans-58-40.4-176.660.5-64.3000112Q33 N59 V61 T74 K79 V80 Y81Q33-D77 PolarHBondContact NE2-OD2 3.34Å; N59-D77 HydrophobicContact CB-CB 3.72Å; N59-D77 VanDerWaalsContact CB-CG 3.47Å; N59-D77 VanDerWaalsContact ND2-CG 3.33Å; N59-D77 PolarHBondContact ND2-OD1 2.9Å; V61-D77 HydrophobicContact CG2-CB 3.77Å; T74-D77 HydrophobicContact CG2-CB 3.96Å; D77-K79 VanDerWaalsContact C-N 3.28Å; D77-K79 PolarHBondContact O-N 2.96Å; D77-V80 PolarHBondContact O-N 3.48Å; D77-V80 VanDerWaalsContact O-N 3.11Å; D77-Y81 WeakPolarHBondContact O-CB 3.46Å; D77-Y81 PolarHBondContact O-N 2.8Å
78Q90Very high90.6Very high97 Ų9757.1 Ų57.145%0.45327%0.272SS..Hα-helixtrans-59.2-40177.1-164.562.352.900112.7N76 N82N76-Q78 VanDerWaalsContact C-N 3.28Å; N76-Q78 PolarHBondContact O-N 3.01Å; Q78-N82 PolarHBondContact NE2-OD1 3.2Å; Q78-N82 VanDerWaalsContact O-CB 3.31Å; Q78-N82 WeakPolarHBondContact O-CB 3.29Å; Q78-N82 PolarHBondContact O-N 2.9Å; Q78-N82 PolarHBondContact O-ND2 3.25Å; Q78-N82 PolarHBondContact O-OD1 3.03Å
79K91.2Very high90.6Very high158 Ų15857.2 Ų57.269%0.68727%0.272SS*.Hα-helixtrans-67.3-41.4178.2-175.2180178.5-179.50110.9N76 D77 E83N76-K79 HydrophobicContact CB-CB 4.28Å; N76-K79 PolarHBondContact O-N 3.43Å; N76-K79 VanDerWaalsContact O-N 3.13Å; D77-K79 VanDerWaalsContact C-N 3.28Å; D77-K79 PolarHBondContact O-N 2.96Å; K79-E83 PolarHBondContact O-N 3.21Å; K79-E83 VanDerWaalsContact O-N 3.13Å
80V92.2Very high90.5Very high11 Ų1160.2 Ų60.27%0.06729%0.287CS..Hα-helixtrans-66.1-47.9178.61710000110.5M3 V5 V61 I72 T74 N76 D77 N82 E83 L84M3-V80 HydrophobicContact CE-CG2 3.56Å; V5-V80 HydrophobicContact CB-CG1 4.35Å; V5-V80 HydrophobicContact CG1-CG1 4.28Å; V5-V80 HydrophobicContact CG2-CG1 3.95Å; V5-V80 HydrophobicContact CG2-CG2 4.08Å; V61-V80 HydrophobicContact CB-CG1 4.19Å; V61-V80 HydrophobicContact CG1-CG1 4.29Å; V61-V80 HydrophobicContact CG2-CB 4.17Å; V61-V80 HydrophobicContact CG2-CG1 3.99Å; I72-V80 HydrophobicContact CD1-CG1 4.15Å; T74-V80 HydrophobicContact CG2-CB 4.44Å; T74-V80 HydrophobicContact CG2-CG2 4.03Å; N76-V80 PolarHBondContact O-N 3.17Å; N76-V80 VanDerWaalsContact O-N 3.17Å; D77-V80 PolarHBondContact O-N 3.48Å; D77-V80 VanDerWaalsContact O-N 3.11Å; V80-N82 PolarHBondContact O-N 2.86Å; V80-E83 PolarHBondContact O-N 3.13Å; V80-L84 HydrophobicContact CG1-CD1 3.82Å; V80-L84 HydrophobicContact CG1-CG 4.46Å; V80-L84 VanDerWaalsContact O-CG 3.28Å; V80-L84 WeakPolarHBondContact O-CG 3.43Å; V80-L84 PolarHBondContact O-N 3.18Å
81Y92.9Very high90.3Very high69 Ų6961.9 Ų61.927%0.27130%0.297SS..Hα-helixtrans-57.6-49.8176.9-178.9-100.6000111.6I31 Q33 V61 D77 E83 L84 T85I31-Y81 HydrophobicContact CB-CE2 4.43Å; I31-Y81 HydrophobicContact CG2-CD2 3.9Å; I31-Y81 HydrophobicContact CG2-CE2 4.03Å; Q33-Y81 VanDerWaalsContact CD-CB 3.46Å; Q33-Y81 VanDerWaalsContact CD-CG 3.43Å; Q33-Y81 HydrophobicContact CG-CD1 4.42Å; Q33-Y81 HydrophobicContact CG-CD2 3.51Å; Q33-Y81 HydrophobicContact CG-CE2 4.19Å; Q33-Y81 HydrophobicContact CG-CG 3.63Å; Q33-Y81 VanDerWaalsContact OE1-CG 3.23Å; V61-Y81 HydrophobicContact CG1-CD2 4.48Å; D77-Y81 WeakPolarHBondContact O-CB 3.46Å; D77-Y81 PolarHBondContact O-N 2.8Å; Y81-E83 VanDerWaalsContact C-N 3.25Å; Y81-E83 PolarHBondContact O-N 3.31Å; Y81-L84 CarbonylContact O-C 3.57Å; Y81-L84 WeakPolarHBondContact O-CA 3.25Å; Y81-L84 WeakPolarHBondContact O-CB 3.36Å; Y81-L84 PolarHBondContact O-N 2.86Å; Y81-T85 HydrophobicContact CD1-CG2 4.2Å; Y81-T85 HydrophobicContact CD2-CG2 4.21Å; Y81-T85 HydrophobicContact CE1-CG2 3.79Å; Y81-T85 HydrophobicContact CE2-CG2 3.81Å; Y81-T85 HydrophobicContact CG-CG2 4.41Å; Y81-T85 PolarHBondContact O-N 3.11Å; Y81-T85 PolarHBondContact O-OG1 2.97Å; Y81-T85 VanDerWaalsContact O-OG1 3.09Å
82N92.6Very high90.1Very high80 Ų8066 Ų6643%0.42832%0.316SS..Hα-helixtrans-59.5-36178.7-69.7-1.1000112.8Q78 V80 L84 T85 K86Q78-N82 PolarHBondContact NE2-OD1 3.2Å; Q78-N82 VanDerWaalsContact O-CB 3.31Å; Q78-N82 WeakPolarHBondContact O-CB 3.29Å; Q78-N82 PolarHBondContact O-N 2.9Å; Q78-N82 PolarHBondContact O-ND2 3.25Å; Q78-N82 PolarHBondContact O-OD1 3.03Å; V80-N82 PolarHBondContact O-N 2.86Å; N82-L84 VanDerWaalsContact C-N 3.34Å; N82-T85 WeakPolarHBondContact CA-OG1 3.31Å; N82-T85 PolarHBondContact O-OG1 3.13Å; N82-K86 PolarHBondContact O-N 2.87Å
83E92.1Very high90Very high51 Ų5170.7 Ų70.724%0.23834%0.339CS..Hα-helixtrans-71.4-32.2177.2-16165.2-163.700111.8K7 K79 V80 Y81 K86K7-E83 VanDerWaalsContact CB-O 3.32Å; K7-E83 WeakPolarHBondContact CB-O 3.41Å; K79-E83 PolarHBondContact O-N 3.21Å; K79-E83 VanDerWaalsContact O-N 3.13Å; V80-E83 PolarHBondContact O-N 3.13Å; Y81-E83 VanDerWaalsContact C-N 3.25Å; Y81-E83 PolarHBondContact O-N 3.31Å; E83-K86 IonicContact OE1-NZ 3.31Å; E83-K86 PolarHBondContact OE1-NZ 3.45Å; E83-K86 IonicContact OE2-NZ 2.8Å; E83-K86 PolarHBondContact OE2-NZ 3.36Å
84L90.3Very high89.8Confident0 Ų075.7 Ų75.70%036%0.363CS..Hα-helixtrans-78.5-24.8176.7-68.4171000113.3V5 K7 V12 I31 V61 I63 I72 V80 Y81 N82V5-L84 HydrophobicContact CG1-CD2 3.74Å; V5-L84 HydrophobicContact CG1-CG 4.02Å; K7-L84 WeakPolarHBondContact CD-O 3.49Å; K7-L84 WeakPolarHBondContact CE-O 3.5Å; K7-L84 PolarHBondContact NZ-O 3.28Å; V12-L84 HydrophobicContact CB-CD2 4.23Å; V12-L84 HydrophobicContact CG1-CD2 3.32Å; V12-L84 HydrophobicContact CG2-CD2 3.81Å; I31-L84 HydrophobicContact CD1-CB 3.73Å; I31-L84 HydrophobicContact CG2-CB 4.25Å; I31-L84 HydrophobicContact CG2-CD1 4.11Å; V61-L84 HydrophobicContact CG1-CD1 3.8Å; I63-L84 HydrophobicContact CD1-CD1 3.81Å; I63-L84 HydrophobicContact CD1-CD2 4.03Å; I63-L84 HydrophobicContact CG1-CD1 4.08Å; I72-L84 HydrophobicContact CD1-CD1 4.5Å; V80-L84 HydrophobicContact CG1-CD1 3.82Å; V80-L84 HydrophobicContact CG1-CG 4.46Å; V80-L84 VanDerWaalsContact O-CG 3.28Å; V80-L84 WeakPolarHBondContact O-CG 3.43Å; V80-L84 PolarHBondContact O-N 3.18Å; Y81-L84 CarbonylContact O-C 3.57Å; Y81-L84 WeakPolarHBondContact O-CA 3.25Å; Y81-L84 WeakPolarHBondContact O-CB 3.36Å; Y81-L84 PolarHBondContact O-N 2.86Å; N82-L84 VanDerWaalsContact C-N 3.34Å
85T87.4Confident89.8Confident69 Ų6980.6 Ų80.642%0.42338%0.384SS..  trans-97.40.117858.90000114.2Y81 N82Y81-T85 HydrophobicContact CD1-CG2 4.2Å; Y81-T85 HydrophobicContact CD2-CG2 4.21Å; Y81-T85 HydrophobicContact CE1-CG2 3.79Å; Y81-T85 HydrophobicContact CE2-CG2 3.81Å; Y81-T85 HydrophobicContact CG-CG2 4.41Å; Y81-T85 PolarHBondContact O-N 3.11Å; Y81-T85 PolarHBondContact O-OG1 2.97Å; Y81-T85 VanDerWaalsContact O-OG1 3.09Å; N82-T85 WeakPolarHBondContact CA-OG1 3.31Å; N82-T85 PolarHBondContact O-OG1 3.13Å
86K81.7Confident89.9Confident175 Ų17576 Ų7676%0.76136%0.364SS*.  trans-60.50166.5-95.2177178.4163.70111.3K7 N82 E83K7-K86 WeakPolarHBondContact CE-OXT 3.41Å; K7-K86 PolarHBondContact NZ-OXT 3.11Å; N82-K86 PolarHBondContact O-N 2.87Å; E83-K86 IonicContact OE1-NZ 3.31Å; E83-K86 PolarHBondContact OE1-NZ 3.45Å; E83-K86 IonicContact OE2-NZ 2.8Å; E83-K86 PolarHBondContact OE2-NZ 3.36Å

Retrieved 86 of 86 residues in 51.9 ms (Link to these results)

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