Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVRIPDELNAQRRLGPDWENWLDRLPRLCDEIVSDWGLTVVG-EPT-NGFASIVIP--VSTSDGDAMLKVGFDSSPETEHEHLALTYWAGDGA---VTMFRAD--------PARHAMLLEQLHSRDLSQEW-DLQACEIVAGFYSRLHRPAPP--RLRP--LTGFVDRWLGALEADAREM-------P-------VP---RRLIDHALNRGRAFV---DDPASVGRIIHGDLHYENVLAADREPWLVIDPQPM-SGDPHYELAPMLWNRWDEMDGYLRESIQRRFYTLVEAAGLDDDRARDWVIVRMILNAHWAVEDAKRMNRALDADERDWITRCIAVAKAVQR 3I1A Chain:B ((12-313)) ----------------------------IELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGY--HDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVW-N-KPHEIQYFYEGYGEINV-DKTILSYYRHERIVEDIAVYGQDLLSR-NQNNQSRLESFKYF---------

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 : 1015 12925 12.73 49.52 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 12.73 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.273

(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: