Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKEITFSVFFLQFIEKSLYFASYSFFVTIRNGTSKKMKKQGTRYMEKKQKIILGATSALTIVILILSLFFVIRSSTKKEPIIPEKKITEKAKEPTDDKQQLVTQAKNLAQSYDYDQAIALLEKDSKNGSTETQQLLQTLKKEKEQLIDWSDPTQISHVFFHSLIVDPQKAFHSQQAQGYKDYMVTVEEFNRSIEQLYQNDFVLVNLNDLIQKDEQGNLSFNGLALPEGKKPLVLSQDDVSYYEYMDNSGFPSRLVVSNNNEIKNVYKEKDKEEIGDFDMVPLIDAFVKKHPDFSYRGAKGTLALTG-YNGVLGYRTSKSQYGDNEKTKKEIKEAKKVAEQLKKDGW-SFASHTWGHLNMTQAS----------LEDVKKDNELWQQEVAPILGK-TNILIYPFGADISDWQPYSAENQKFAYLKSQGFDIFCNVDASTPAWGQLGTDFYRNARINIDGIRFQSDLDGKNPILDPFINVHDVYDKEARESA 4WCJ Chain:A ((33-252)) -------------------------------------------------------------------------------------------------------------------------------------------------------QGDGLVVLCYHRVLPSS-------------RYAISRREFAQQLDYLRQVGVRFVTPQEAEDYLAGR------IHLP--GKLVLVTFDD----------GDLSVYRH----------------------AFPVLKKR----------KIPFLFFVIAGQVGRK-WEG--------FSMC-----SWEQIKEMVASGLCVVGLHTYDLHYWDSQAKKPVFLLPGRERLFAEDTARGTACLKEHLGLKTRYFAYPYGF-------GT--PTTDEILRTQGFSLVFTLRAKVN---RPGDAPF-VGRVLVTPDS------------------------------

General information: TITO was launched using: RESULT: Template: 4WCJ.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 : 1013 -54529 -53.83 -263.43 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -53.83 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_4WCJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WCJ-query.scw PDB file : Tito_Scwrl_4WCJ.pdb: