Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQITPYEVIDGQLKGARQVPSPNFNQRPAGTEIQMIVVHNISLPPSQFGGGYIEQFFQNKLDWSVHPYFQTIEGMQVSTHLLILR------------TGEVLQFVNFNDRAWHAGRSSYLAKIECNDYSIGIELEGSDD--------LPFEDLQYEVLTDVVTAIRQAYP-EIKNHIAGHSDIAPGRKTDPGPYFKWQHFRQLLAQKKT 4BXJ Chain:B ((12-170)) --------------------------TTPYGKRVRFLVLHYTALDFAA----SV-------------KALT---TGAASAHYLIPAPHDPSYKAAGFKGQRIFNLVAEEDRAWHAGVSGWARRDNLNDTSIGIEIVNLARDDDGVFTFPDYERSQINALKQLAKNILQRYPDMTPKNVVGHSDIAVGRKSDPGPKLPWKELYEAG-----

General information: TITO was launched using: RESULT: Template: 4BXJ.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 : 624 -19917 -31.92 -144.32 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -31.92 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_4BXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BXJ-query.scw PDB file : Tito_Scwrl_4BXJ.pdb: