Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSFEDRLMKKLWRNCHIATMQNGQ--YSYIEDAAIVTEGHLIHWIGKQQQLPAD--TYSETVDLNDAWVTPGFIDCHTHSVFGGNRSVEFEKRLQGVSYAEIAASGGGIASTVRATREASEEQLLNSALKRIRRMQQDGVTTIEIKSGYGLNYENERKMLRVIRQIGEKLPMTVKSTCLAAHALPPEYKDQSDAYIEHICTEMLPKLHAEGLVDAVDAFCEHLAFSPAQVERVFKTAQSLGLPVKLHAEQLSSLGGSSLAARYHALSADHLEYMTEDDVKAMAASGTVAVLLPGAFYLLRETQYPPIESLIKHGVRIALSSDLNPGTSPALSLRLMLNMGSTLFRLTPEQALAGVTIHAAQALGLEQTHGSLEQGKVADFVAWDIEHPSEIVYWLGGDLPKRVVQHGQEVIF 2PUZ Chain:A ((18-417)) -----------LWRNAQLATLNPAMDGIGAVENAVIAVRNGRIAFAGPESDLPDDLSTADETTDCGGRWITPALIDCHTHLVFGGNRAMEFEMRLNGATYEEIAKAGGGIVSSVRDTRALSDEVLVAQALPRLDTLLSEGVSTIEIKSGYGLDIETELKMLRVARRLETLRPVRIVTSYLAAHATPADYKGRNADYITDVVLPGLEKAHAEGLADAVDGFCEGIAFSVKEIDRVFAAAQQRGLPVKLHAEQLSNLGGAELAASYNALSADHLEYLDETGAKALAKAGTVAVLLPGAFYALREKQLPPVQALRDAGAEIALATDCNPGTSPLTSLLLTMNMGATLFRMTVEECLTATTRNAAKALGLLAETGTLEAGKSADFAIWDIERPAELVYRIGFNPLHARIFKGQKV--

General information: TITO was launched using: RESULT: Template: 2PUZ.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 : 2545 -36630 -14.39 -92.50 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -14.39 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_2PUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUZ-query.scw PDB file : Tito_Scwrl_2PUZ.pdb: