Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCFSPILEINMQSESNITVRDDIDDINTNMYQPLSYPLSFQVSLTGFLMLEIVLGLGSNLTVLVLYCMKSNLINSVSNIITMNLHVLDVIICVGCIPLTIVILLLSLESNTALICCFHEACVSFASVSTAINVF---AITLDRYDISVKP--ANRILTMGRAVMLMISIWIFSFFSFLIPFIEVNFFSLQSGNTWENKT---------LLCVSTNEYYTELGMYYHLLVQIPIFFFTVVVMLITYTKILQALNIRIGTRFSTGQKKKARKKKTISLTTQHEATDMSQSSGGRNVVFGVRTSVSVIIALRRAVKRHRERRERQKRVFRMSLLIISTFLLCWTPISVLNT-TILCLGPSDLLVKLRLCFLVMAYGTTIFHPLLYAFT----RQKFQKVLKSKMKKRVVSIVEADPLPNNAVIHNSWIDPKRNKKITFEDSEIREKCLVPQVVTD |
4UG2 Chain:A ((18-309)) | ----------------------------------------------------VLAILGNVLVCWAVWLNSNLQN-VTNYFVVSAAAADILVGVLAIPFAIAI---STGFCAACHGCLFIAC--FVLVLTASSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWN----NCGQPKEGKAHSQGCGEGQVACLFEDVVPMNYMVYFN-------FFACVLVPLL--------LMLGVYLRIFLAARRQL------------ARSTLQKE---------VHAAKSLAI-------------------------IVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLR------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UG2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -227435 for 1984 contacts (-114.6/contact) +
2D Compatibility (PS) -25971 + (NN) -202 + (LL) 13776
1D Compatibility (HY) -26000 + (ID) 3850
Total energy: -269682.0 ( -135.93 by residue)
QMean score : 0.195
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