Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLVLIGGGYGNMRVLHRLLPNQLPDDVSITLIDRNPYHCLKT-EYYALAAGTISD--HHIRVSFPEH---PRLDVQ-YGDITSIDIVQKQVLFQDR-----EPISYDDAIIGLGCEDKYHNVPGAPE--FTYSIQTIDQSRETYQKLNNLSANATVAIVGAGLSGVELASELRESRDDLNIILFDRGNLILSSFPERLSKYVQKWFEEHGVRIINRANITKVEEG---VVYNHDDPISADAIVWTAGIQPN-KVVRDLDVEKDAQGRIVLTPHHNLPGDEHLYVVGDCASLPH--------APSAQLAEAQAEQIVQILQKRWNGEALPESMPQFKLKGVLGSLGKKAGFGLVADRPLIGRVPRMLKSGLLWMYKHHNG 3ICS Chain:A ((36-353)) SRKIVVVGGVAGGASVAARLRRLS--EEDEIIMVERGEYISFANCGLPYYIGGVITERQKLLVQTVERMSKRFNLDIRVLSEVVKINKEEKTITIKNVTTNETYNEAYDVLILSPGAKPIVPSIPGIEEAKALFTLRNVPDTDRIKAYIDE-KKPRHATVIGGGFIGVEMVENLRERG--IEVTLVEMANQVMPPIDYEMAAYVHEHMKNHDVELVFEDGVDALEENGAVVRLKSGSVIQTDMLILAIGVQPESSLAKGAGLALGVRGTIKVNEKFQ-TSDPHIYAIGDAIEVKDFVTETETMIPLAWPANRQGRMLADIIHGH---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ICS.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 : 1559 27200 17.45 93.15 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 17.45 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_3ICS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ICS-query.scw PDB file : Tito_Scwrl_3ICS.pdb: