Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------MPSDTTGKPSGTTVDPSKPDYSAPRYWIDKCIVQLLDATTEEIVME--RFSSGFGMW-----DSVSYLGHTYQFRLDQDCKTIWGDSRGSIHPSVKFRKVRARVNMHTRKLDPLYVVD----------------------------------------------------------------------------------------------------- 1AVA Chain:A ((1-346)) QVLFQGFNWESWKHNGGWYNFLMGKVDDIAAAGITHVWLPPASQSVAEQGYMPGRLYDLDASKYGNKAQLKSLIGALHGKGVKAIADIVINHRTAEHKDGRGIYCIFEGGTPDARLDWGPHMICRDDRPYADGTGNPDTGADFGAAPDIDHLNLRVQKELVEWLNWLKADIGFDGWRFDFAKGYSADVAKIYIDRSEPSFAVAEIWTSLAYGGDGKPNLNQDQHRQELVNWVD-KVGGKGPATTFDFTTKGILNVAVEGELWRLRGTDGKAPGMIGWWPAKAVTFVDNHDTGSTQHMWPFPSDRVMQGYAYILTHPGTPCIFYDHFFDWGLKEEIDRLVSVRTRHGI

General information: TITO was launched using: RESULT: Template: 1AVA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 444 23837 53.69 216.70 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : 53.69 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.164

(partial model without unconserved sides chains): PDB file : Tito_1AVA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AVA-query.scw PDB file : Tito_Scwrl_1AVA.pdb: