Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAME---SI-RNKKVTGLKL----------------------ACNVGHQKALLAGLHKA---KNRSDCVISIDADLQDDISVIRDFMLKYH------EGCEIVY---GVRRSRK-----TDTFFKRTTALGFYRLMNKL-GIKLIYN---HADFRLMNKRSLEELERYPEANLF---LRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLSAVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS 2WVL Chain:A ((50-288)) --DVLEQTAIVVPTRNERL---KLLEGVLSGI---------PHEALILVASNSSPDRFQMERDLLEEFAHLTERPALIFHQKDPALAEALRAGGYPHPIGEDGLVRSGKAEGMILALVFAALSG--RRYVGFIDADNYFPGAVWEYVRAYAAGFLMAKTPFAMVRILWRYKP---GVVFRRYGRVSERNNRALNQLIGGVSGFETDVVKTANAGEHAMSLGLALRL-PLASGYAVEPQELVSLLELYGGVFPL--------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WVL.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 : 797 -95821 -120.23 -523.61 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -120.23 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.386

(partial model without unconserved sides chains): PDB file : Tito_2WVL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WVL-query.scw PDB file : Tito_Scwrl_2WVL.pdb: