Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDQTRTLGKTKLKVKRIGFGANAVGGHNLFPNLND-ETGKDLVRTALDGGVNFIDTAFIYGL--GRSEELIGEVVQE--RGVRNELIIATKGAHKEVDGSIELDNSREFLRSEVEKSLKRLKTDYIDLYYVHFPDGKTPLAEVAGTLKELKDEGKIKAIGASNLDYQQLQDF-----NADGYLEVFQAEYSLIQRDAEKE-LLPYCEKQGISFIPYFPLASGLLTGKFTQDTVFDDFRKDKPQFQGETFIHNLKKVDKLKAVAEEKQADTAHVALAWLLTRPAIDAIIPGAKRPEQLQDNLKTLNIELTEDEVNFISDIFK 4AUB Chain:D ((34-336)) --QYRYCGKSGLRLPALSLGL----WHN-FGHVNALESQRAILRKAFDLGITHFDLANNYGPPPGSAEENFGRLLREDFAAYRDELIISTKAGYDMWPGPYGSGGSRKYLLASLDQSLKRMGLEYVDIFYSHRVDENTPMEETASALAHAVQSGKALYVGISSYSPERTQKMVELLREWKIPLLIHQPSYNLLNRWVDKSGLLDTLQNNGVGCIAFTPLAQGLLT-------------------LTEA---NLNSLRLLNEMAQQRGQSMAQMALSWLLKDDRVTSVLIGASRAEQLEENVQALN----------------

General information: TITO was launched using: RESULT: Template: 4AUB.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 : 1445 -134471 -93.06 -507.44 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -93.06 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_4AUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AUB-query.scw PDB file : Tito_Scwrl_4AUB.pdb: