Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGGTARGPGRKDAGPPGAGLPPQQRRLGDGVYDTFMMIDETKCPPCSNVLCNPSEPPPPRRLNMTTEQFTGDHTQHFLDGGEMKVEQLFQEFGNRKSNTIQSDGISDSEKCSPTVSQGKSSDCLNTVKSNSSSKAPKVVPLTPEQALKQYKHHLTAYEKLEIINYPEIYFVGPNAKKRHGVIGGPNNGGYDDADGAYIHVPRDHLAYRYEVLKIIGKGSFGQVARVYDHKLRQYVALKMVRNEKRFHRQAAEEIRILEHLKKQDKTGSMNVIHMLESFTFRNHVCMAFELLSIDLYELIKKNKFQGFSVQLVRKFAQSILQSLDALHKNKIIHCDLKPENILLKH-----------------------HGRSSTKVIDFGSSCFEYQKLYTYIQSRFYRAPEIILGSRYSTPIDIWSFGCILAELLTGQPLFPGEDEGDQLACMMELLGMPPPKLLEQSKRAKYFINSKGIPRYCSVTTQADGRVVLVGGRSRRGKKRGPPGS--KDWGTA-------LKGCDDYLFIEFLKRCLHWDPSARLTPAQALRHPWISKSVPRPLTTIDKVSGKRVVNPASAFQGLGSKLPPVVGIANKLKANLMSETNGSIPLCSVLPKLIS |
3LLT Chain:A ((20-360)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DEIVHFSWKKGMLLNNAFLVIRKMGDGTFGRVLLCQHIDNKKYYAVKVVRNIKKYTRSAKIEADILKKIQN-DDINNNNIVKYHGKFMYYDHMCLIFEPLGPSLYEIITRNNYNGFHIEDIKLYCIEILKALNYLRKMSLTHTDLKPENILLDDPYFEKSLITVRRVTDGKKIQIYRTKSTGIKLIDFGCATFKSDYHGSIINTRQYRAPEVILNLGWDVSSDMWSFGCVLAELYTGSLLFRTHEHMEHLAMMESIIQPIPKNMLYEATKTNG-------SKYVN---------------KDELKLAWPENASSINSIKHVKKCLPLYKIIKHELFCDFLYSILQIDPTLRPSPAELLKHKFLE----------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LLT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170404 for 2477 contacts (-68.8/contact) +
2D Compatibility (PS) -33480 + (NN) -17684 + (LL) 9816
1D Compatibility (HY) -25200 + (ID) 5000
Total energy: -241952.0 ( -97.68 by residue)
QMean score : 0.458
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