Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLT--PAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK 3YPI Chain:B ((1-246)) ----ARTFFVGGNFKLNGSKQSIKEIVERLNTAS-----IPENVEVVICPPATYLDYSVSLVK--KPQVTVGAQNAY-LKASGAFTGENSVDQIKDVGAKWVILGQSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLEEV--KDWT-NVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPE-FVDIINSR----

General information: TITO was launched using: RESULT: Template: 3YPI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1329 -118581 -89.23 -485.99 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -89.23 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_3YPI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3YPI-query.scw PDB file : Tito_Scwrl_3YPI.pdb: