Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLDGYTRLAAVVANPIKHSISPFIHNRAFEATATNGAYVAWEIEASDLVETVANIRRYQMFGINLSMPYKEQVIPYLDKLSDEARLIGAVNTVVN-ENGNLIGYNTDGKGFFKCL--PSFTISGKKMTLLGAGGAAKSILAQAILDGVSQISVFVRSVSMEKTRPYLDKLQEQTGFKVDLCALEYVSELQARIAESDLLVNATSVGMDGQSSPVPENIVLPETLLVADIIYQPFETPFLKWARSQGNP-AVNGLGMLLYQAAEAFQLWTGKEMPTEEIWQSLTEKYQ 3PGJ Chain:D ((33-294)) ----------AVFGNPINHSKSPFIHTLFARQTQQSMIYTAQCVPVDGFTEAAKHFFAQGGRGCNVTVPFKEEAYRFADRLTERARLAGAVNTLKKLDDGEILGDNTDGEGLVQDLLAQQVLLKGATILLIGAGGAARGVLKPLLDQQPASITVTNRTFAKAEQ---LAELVAAYG-EVKAQAFEQLKQ------SYDVIINSTSASLDGE-LPAIDPVIFSSRSVCYDMMYGKGYTVFNQWARQHGCAQAIDGLGMLVGQAAESFMLWRGLRPGTKQILREL-----

General information: TITO was launched using: RESULT: Template: 3PGJ.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 : 1461 -61464 -42.07 -238.23 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -42.07 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_3PGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PGJ-query.scw PDB file : Tito_Scwrl_3PGJ.pdb: