Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIGIFGGTFDPPHNGHLLMANEVLYQAGLDEIWFMPNQIPPHKQNEDYTDSFHRVEMLKLAIQSNPSFKLELVEMEREGPSYTFDTVSLLKQRYPNDQLFFIIGADMIEYLPKWYKLDELLNLIQFIGVKRPGFHVETPYPLLFADVPEFEVSSTMIRERFKSKKPTDYLIPDKVKKYVEENGLYES 3MLB Chain:B ((3-191)) MRKIGIIGGTFDPPHYGHLLIANEVYHALNLEEVWFLPNQIPPH----NITSVESRLQMLELATEAEEHFSICLEELSRKGPSYTYDTMLQLTKKYPDVQFHFIIGGDMVEYLPKWYNIEALLDLVTFVGVARPGYKLRTPYPITTVEIPEFAVSSSLLRERYKEKKTCKYLLPEKVQVYIERNGLYES

General information: TITO was launched using: RESULT: Template: 3MLB.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 : 891 -142136 -159.52 -768.30 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -159.52 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.637

(partial model without unconserved sides chains): PDB file : Tito_3MLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MLB-query.scw PDB file : Tito_Scwrl_3MLB.pdb: