Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRIQLA-EDLQFSRVIHGLWRLNEWNYSDAELLSLIEWCIDHGITTFDHADIYGG--YTCEKLFGNALALS-PGLRENIELVTKCGIVLESPERPAHRSHHYNTSKSHILASVEQSLMNLRTDYIDMLLIHRPDPLMDPEGVAEAFQALKCSGKVRYFGVSNFKDHQYRMLES---YLPEKLVTNQIELSAYELENMLDGTLNLCQEKRIPPMAWSPLAGGKVFTENTDKD-----RRVRTALESVQGEIGAASLDEVMYAWLYTHPAGIMPIVGSGKRERISAAINALS-YKLDQDQWFRIFTAVQGYDIP 3N6Q Chain:A ((13-336)) MQYRYCGKSGLRLPALSLGLWHNFGHVNALESQRAILRKAFDLGITHFDLANNYGPPPGSAEENFGRLLREDFAAYRDELIISTKAGYDMWPG------PYGSGGSRKYLLASLDQSLKRMGLEYVDIFYSHRVDENTPMEETASALAHAVQSGKALYVGISSYSPERTQKMVELLREWKIPLLIHQPSYNLLNRWVDKSGLLDTLQNNGVGCIAFTPLAQGLLTGKYL---LTEANLNSLRLLNEMAQQRG-QSMAQMALSWLLKDDRVTSVLIGASRAEQLEENVQALNNLTFSTKELAQIDQHIADGE--

General information: TITO was launched using: RESULT: Template: 3N6Q.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 : 1579 -172303 -109.12 -598.27 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -109.12 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_3N6Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N6Q-query.scw PDB file : Tito_Scwrl_3N6Q.pdb: