Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGEREGRVDSLLDTLYNLSEEKEAFFITQKMKKLFSVKLSKSKVILVAACLLLAGSGTAYAAHELTKQSVSVSINGKKKHIRTHANTVGDLLETLDIKTRDEDKITPAKQTKITADMDVVYEAAKPVKLTINGEEKTLWSTAKTVGALLDEQDVDVKEQDQIDPAIDTDISKDMKINIEPAFQVTVNDAGKQKKIWTTSTTVADFLKQQKMNIKDEDKIKPALDAKLTKGKADITITRIEKVTDVVEEKIAFDVKKQEDASLEKGKEKVVQKGKEGKLKKHFEVVKENGKEVSRELVKEETAEQSKDKVIAVGTKQSSPKFETVSASGDSKTVVSRSNESTGKVMTVSSTAYTASCSGCS--------GHTATGVNLKNNPNAKVIAVDPNVIPLGSKVHVEGYGYAIAADTGSAIKGNKIDVFFPEKSSAYR-WGNKTVKIKILN |
4WLI Chain:A ((13-113)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VQRVTATGYTAG----GKNPGDPLYGLTYSGVKVKRDLYSTV-AADPSVFPIGTILFIPNYGLGVVADTGSAIKGNRLDLYFETVKDVYNEWGKKTLDVYVI- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4WLI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -25359 for 552 contacts (-45.9/contact) +
2D Compatibility (PS) -9562 + (NN) -1002 + (LL) 24596
1D Compatibility (HY) -9200 + (ID) 1850
Total energy: -22377.0 ( -40.54 by residue)
QMean score : 0.509
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