Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKKSLISNLILINSITLFLGFYLIYFSVNYVIKDYVHQMTRNSMQANFTILDSIYNNKKIPDENMVNQDSIFVWSYYAIFDQHYRMKYGTDNHKKESHDIIRYLTQKRLWQISKEKDGMFVTIKKKTYYVMTKDYSGILVDGSIKKVPKAQSQLFHVINFSDITYTQHLITKINHFLIVILVLTYIPMLFIMRKTFTGIRESIQSVQTYISSLWKNQGNHQSSQKEIVFSDFDPLLLESQEMANRIYQAEESQRNFFQNASHELRTPLMSIQGYTEGVQEGIIDA-ELAHSVILQESKKMKQLVDDIILLSKLDSNLSDQKDEFSLNELLNSII--AYFKPLANKQKISITYRPDKHEKLLKGNEELIQRAINNILSNALRYAVSHIEISYTNQK----LTISNDGPAISKEDLPYIFDRFYKG------HGGQTGIGLAMTKEIIKQHHGNIIAESDSTSTTFTIYFNCHKIA |
4CB0 Chain:A ((79-279)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SQQRLLSDISHELRTPLTRLQLGTALLRRRSGESKELER--IETEAQRLDSMINDLLVMSRNQQKNALVSETIKANQLWSEVLDNAAFEAEQMGKSLTVNFPPGPWP--LYGNPNALESALENIVRNALRYSHTKIEVGFAVDKDGITITVDDDGPGVSPEDREQIFRPFYRTDEARDRESGGTGLGLAIVETAIQQHRGWVKAEDSPLGGLRLVIWLPLYK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CB0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -55403 for 1222 contacts (-45.3/contact) +
2D Compatibility (PS) -20230 + (NN) -6892 + (LL) 20976
1D Compatibility (HY) -12000 + (ID) 3000
Total energy: -76549.0 ( -62.64 by residue)
QMean score : 0.325
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