Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDQTRTLGKTKLKVKRIGFGANAVGGHNLFPNLND-ETGKDLVRTALDGGVNFIDTAFIYGL--GRSEELIGEVVQE--RGVRNELIIATKGAHKEVDGSIELDNSREFLRSEVEKSLKRLKTDYIDLYYVHFPDGKTPLAEVAGTLKELKDEGKIKAIGASNLDYQQLQDF-----NADGYLEVFQAEYSLIQRDAEKE-LLPYCEKQGISFIPYFPLASGLLTGKF-TQDTVFDDFRKDKPQFQGETFIHNLKKVDKLKAVAEEKQADTAHVALAWLLTRPAIDAIIPGAKRPEQLQDNLKTLNIELTEDEVNFISDIFK 3N6Q Chain:F ((14-316)) --QYRYCGKSGLRLPALSLGL----WHN-FGHVNALESQRAILRKAFDLGITHFDLANNYGPPPGSAEENFGRLLREDFAAYRDELIISTKAGYDMWPGPYGSGGSRKYLLASLDQSLKRMGLEYVDIFYSHRVDENTPMEETASALAHAVQSGKALYVGISSYSPERTQKMVELLREWKIPLLIHQPSYNLLNRWVDKSGLLDTLQNNGVGCIAFTPLAQGLLTGKYL-----------------TEA---NLNSLRLLNEMAQQRGQSMAQMALSWLLKDDRVTSVLIGASRAEQLEENVQALN----------------

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 F - contact count / total energy / energy per contact / energy per residue : 1465 -133304 -90.99 -499.27 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain F : 0.77 3D Compatibility (PKB) : -90.99 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.553

(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: