Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKTILVTGGTSYIGSHTVKALL-NAGYQVHILDNL--STGNRAAVDSR---------------------ASFKELDVYDASALKA-YLEENQIDAVLHYTGEIVVSESIENPSKYFTANVAGMNQVLKVLSEVGIQKIMFSSTASLYGNNCID---KPVTEDTLLDPVNPYAETKLMGERMIYWMANRYDWKYVIFRYFNVAGAEMDASNGLRVKNPTHIIPNI---------NKTALGQNDS---LKIFGDDYDTRDGSCIRDYIYVLDLA 2CNB Chain:D ((5-279)) ----VLVCGGAGYIGSHFVRALLRDTNHSVVIVDSLVGTHGKSDHVETRENVARKLQQSDGPKPPWADRYAALEVGDVRNEDFLNGVFTRHGPIDAVVHMCAFLAVGESVRDPLKYYDNNVVGILRLLQAMLLHKCDKIIFSSSAAIFGNP---TNAEPIDINAKKSPESPYGESKLIAERMIRDCAEAYGIKGICLRYFNACGAHEDGDIGEHYQGSTHLIPIILGRVMSDIA----------DKRMPIFGTDYPTPDGTCVRDYVHVCDLA

General information: TITO was launched using: RESULT: Template: 2CNB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1007 -61052 -60.63 -282.65 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -60.63 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_2CNB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CNB-query.scw PDB file : Tito_Scwrl_2CNB.pdb: