Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGANHVRNDPIMARLTVITTGGTISTTAGPDGVLRPTHCGATLIAGLD-M--DSDIEVVDLMALDSSKLTPADWDRIGAAVQEAFR-GGADGVVITHGTDTLEETALWLDLTYAGSRPVVLTGAMLSADAPGADGPANLRDALAVAADPAARDLGVLVSFGGRVLQPLGLHKVANPDLCGFAG---ESLGFT-SGGVRLTRTKTRP-Y----LGDLGAAVAPRVDIVAVYPGSDAVAMDACVAAGARAVVLEALGSGNAGAAVIEGVRRHCRDGSDPVVIAVSTRVAGARVGAGYGPGHDLVEAGAVMVPRLPPSQARVLLMAALAANS--P-VADVIDRWG |
1WSA Chain:A ((3-330)) | -----------KPQVTILATGGTIAG------YSAGAVTVDKLLAAVPAINDLATIKGEQISSIGSQEMTGKVWLKLAKRVNELLAQKETEAVIITHGTDTMEETAFFLNLTVKSQKPVVLVGAMRPGSSMSADGPMNLYNAVNVAINKASTNKGVVIVMNDEIHAAREATKLNTTAVNAFASPNTGKIGTVYYGKVEYFTQSVRPHTLASEFDISKIEELPRVDILYAHPDDTDVLVNAALQAGAKGIIHAGMGNGNPFPLTQNALEKAA-KSGVVVAR--SSRVGSGSTT--QEAEVDDKKLGFVATESLNPQKARVLLMLALTKTSDREAIQKIFSTY- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WSA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -252541 for 2685 contacts (-94.1/contact) +
2D Compatibility (PS) -33818 + (NN) -20715 + (LL) 216
1D Compatibility (HY) -14800 + (ID) 4400
Total energy: -326058.0 ( -121.44 by residue)
QMean score : 0.509
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