Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLWEPVEPEGALRERFGLLGFDGASDWVAEVLAEVWGIAVEGCDRVVISD-ANA--IVWMRTEQGRLVVKWSRAEQRFEELAASARLLGALAARGVP-VAAPVPAVDGRTRVVLGGPSGKLSVAVLPEIDGDWLDVG--DEAAVHAAGACLASLHHALAEYADADP------AVSHGATGDSGEDLRERLTKW-----LATD-DR--GVTLAASQRLAAAV----AALPPLDTREQLVHNDYRAANLLTRDSAVVGILDFDEIARQHPVHDLAKAFVYLSTLFTEWKPTAPGVRRTFLAGYESVRRLSPAEHAWLETLALWVGIQAVPTGDDPAGWAKAL 3I1A Chain:B ((4-272)) --------------------QPIQAQQLIELLKVHYGIDI-HTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH----DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQL----KHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPK-WR--EIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNV-----WNKPHEIQYFYEGYGEINV----------------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.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 : 925 18067 19.53 73.74 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : 19.53 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.271

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: