Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKRIINNVFAREILDSRGYPTVEVEIELCDGA----------TGRASVPSGASTGKLEALELRDQDEKRYCGKGVLKAVKAVNGVIANAIIGMDAADQSTIDKALIELDGTRNKSKLGANATLGVSLASAKAAANSFKMPLYRYLGGEQA---NVMPFPLINIINGGVHADNKLDFQEFMILPIGAEAFSEAIRMSAEVFHNLRSILRKRG--YSTNVGDEGGFAPNIESTEEALDLIVHAIESASYSTQNHFALGLDVASSTFYK--NKIYKFA----------NKELTSEELVEYYYNLVEKYPITSMEDAMSEDDYEGWKLLTAKLGSKVQLVGDDLFVTNCELIRKGIEEKMANAVLIKPNQIGTLTETFTAIGMTKSGGYKAVISHRSGETEDTTISHIAIASNCGQIKTGSLSRSDRLAKYNELIRIEGTLERNAKYYYGLAWTS |
3QTP Chain:A ((4-439)) | -GSMSIQKVHAREILDSRGNPTIEVEITTGKGMFRSCVPSGASTGVHEAVEL-----------RDGDKKRYGGKGVLKAVENVNTIIGPALLGKNVLNQAELDEMMIKLDGTNNKGKLGANAILGCSMSICRAAAAEKGLPLYKYLAELTGHKEMTMPVPCFNVINGGAHAGNALAMQEFMICPTGATNFHEALRMAAETYQCLKVVIKAKYGQDATNVGDEGGFAPNVSGAREALDLLVEAIAKAGY--TGKIEIAMDCAASEFYNEETKKYDLGKKIPADKKDPSLVKDVDGLIAEYVDYGKHYPIASIEDPFAEDDWAAWNKFTVEHG-NFQIVGDDLLVTNPARVQMAMDKNACNSVLIKVNQIGTLTETFKTIKMAQEKGWGVMASHRSGETEDTFIADLVVGLNCKQIKTGAPCRSERLCKYNQLMRIEEELGN-IPYAGKNWRNS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QTP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170368 for 3772 contacts (-45.2/contact) +
2D Compatibility (PS) -43767 + (NN) -14172 + (LL) 1064
1D Compatibility (HY) -31200 + (ID) 9750
Total energy: -268193.0 ( -71.10 by residue)
QMean score : 0.484
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