Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKQIIFEDEHIRAIFLQGDSNTLVLSFGDLITRASGLSINAEKSLIKYQYNVIGVMPKQK--SWFP----KAS----MVELAKVILPIIQRFKNIVGYGGSMGGYAAIKYSNLLN--MNRIIAFVPQYSIDPEQVE-DRRYAEFFD-----------------AVA--NNDMQIQP-QDV-DASREYIIVYDPYFSI-DREHYLKIKEILP---SLHTIHLPFTGHEALSVLASSSLLHDFIEHEFDETYFYQQVRKIKKQSKFYYRNVLANVLTYHDSMLLKILRQNDFQLDERYLDNPLKQAVTRSLIKTKQATEQDFQKLGIKIQYSQQAKNPKKGFKNQFDAILVFNLINLKLETYAVDVVLANPSYLIPIVAGHTGVVQIELNNELYLLGMNDRKIIKLFKQGDALTSDMSPFVIKQYSDFFALSYKQLNLNCDKQGVCDYVESSIQPSQQFVLTSY 3DKR Chain:A ((19-231)) ------------------EGTDTGVVLLHAYTGSPNDMNF-MARALQRSGYGVYVPLFSGHGTVEPLDILTKGNPDIWWAESSAAVAHMTAKYAKVFVFGLSLGGIFAMKALETLPGITAGGVFSSPILPGKHHLVPGFLKYAEYMNRLAGKSDESTQILAYLPGQLAAIDQFATTVAADLNLVKQPTFIGQAGQDELVDGRLAYQLRDALINAARVDFHWYDDAKHVITVN---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DKR.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 : 831 -33294 -40.06 -190.25 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -40.06 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_3DKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DKR-query.scw PDB file : Tito_Scwrl_3DKR.pdb: