Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAMESIRNKKVTGLKLACNVGHQKALLAGLHKAKNRSDC----VISIDADLQDDISVIRDFMLKYHEGCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKLGIKLIYNHADFRLMNKRSLEELERYPEANLF-------LRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLSAVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS 2FY7 Chain:A ((63-230)) ---SPHKVAIIIPFRNRQEHLKYWLYYLHPVLQRQ------QLDYGIYVINQAGDTI-----------------------FNRAKLLNVGFQEAL--KDYDYTCFVFSDVDLIPMNDHNAYRCFS---QPRHISV---------AMDKFG----F------SLPYVQYFGGVSALSKQQFLTINGFPNNYWGWGGEDDDIFNRLVFRGMSISRPN-------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2FY7.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 : 656 -92842 -141.53 -627.31 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -141.53 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_2FY7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FY7-query.scw PDB file : Tito_Scwrl_2FY7.pdb: