Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAPTEEMISVQKLVERLNAEYAFEVDYIGADLGGFSSQNNQ--LTLKDKRRMVLKRCDQSQWDPRNVDIATILAHHSSL-IYAPLATVGGSSTFKFDGWVYAVFPYVDGEKLHQHSLDAETLKSAARALYAFHHIAHFAGSHAAQ-----RPNVSDF-EREVTSVLEPTLSLSTDHADIIIRSIE---AKRHILHSFSSDLS-SI--NVGASSVIHGDFHNENILYRSDHVVAILDFEMLHWGNVEDDIISFIALGCCNNGFSEENLRMANIFVKEYLSLHGENLDLHTALLRFIHL--KSSSLFLQKMLIYTGNMLYAQIIERDNK-LFPSIMKKHREISKTLSSL 3I1A Chain:B ((3-317)) -----KQPIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESK-SYFIKLKYGYHDE-INLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVP-ISIQQQLRKEIYSPKWREIVRSFYNQIE-FDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWN----KPHEIQYFYEGYGEINV-D-KT---ILSYYRHERIVEDIAVYGQDLLSRNQN-----NQSRLESFKYFKEMF----------

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 : 1306 -23376 -17.90 -78.71 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -17.90 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.301

(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: