Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAKRAIPVRERNIVLIGFMGVGKTTIGQLVAKKLYRDFIDIDQQIEKDFNMSIPEIFEKKGEDFFRKTEKEYILDICHHKRFKIVSLGGGSFKQEEIRNCCLENCLVLHLDLSWENWKQRADLLIESRPVLHNRS--MDEMEQLFNERKVIYDK-HNSKVATDNLSPEEVADYIVETLKIGWDLYQPM 1KAG Chain:A ((5-171)) -----------RNIFLVGPMGAGKSTIGRQLAQQLNMEFYDSDQEIEKRTGADVGWVFDLEGEEGFRDREEKVINELT-EKQGIVLATGGGSVKSRETRNRLSARGVVVYLETTIEKQLART-------PLLHVETPPREVLEALANERNPLYEEIADVTI-----SAKVVANQIIHMLE---------

General information: TITO was launched using: RESULT: Template: 1KAG.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 : 739 -73020 -98.81 -477.25 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -98.81 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_1KAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KAG-query.scw PDB file : Tito_Scwrl_1KAG.pdb: