Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVEKLRRKIMQSKTLFLLGLCTIFSTTVSALPLDSKGAKQRLSQAAKQKVFQGKIDLDALVSNDSNDLIVEYNIPSSSVSSGLERRSYIATNKKNLQTRFSRAGGVQVLRDYNNLPLAFYRISNREALIALLNDPNVKAVYPNRINRTTTTESLPLINQPQANTNGFTGEGSSVAVLDTGVNYLHSDFGCTAVNTPSSTCRVVYSFDSAPDDGTLDD-DGHGSNVSAIVSK----VATKTKIIGIDVFRKVRSQGKWVSTAYDSDILAGINWAVNNAQTYNIKAVNLSLGVPGVKYTSECSDSSYGTAFANARAAGVVPVVASGNDAFPDGISSPACVAGAVRVGAVYDSNIGGVSWGNPVKCSDPTTAADKVACFSNGGSLVTLLAPGAMITA----GGY-TMGGTSQATPHVAG--AIALLRANSVSPTESIDQTISRLKATGKPITDSRTGLVFPRIDLLAATNGLTVN 1S2N Chain:B ((14-262)) --------------------------------------------------------------------------------------------------------------------------------------------------------RNLPLDRNYNANFDGF---GVTAYVIDTGVNNNHEEFGG----------RSVSGYDFVDNDADSSDCNGHGTHVAGTIGGSQYGVAKNVNIVGVRVLSCSGS-------GTTSGVISGVDWVAQNASGPSV--ANMSLG--GGQSTA------LDSAVQGAIQSGVSFMLAAGNSNADACNTSPARVPSGVTVGS--------------------TTSSDSRSSFSNWGSCVDLFAPGSQIKSAWYDGGYKTISGTSMATPHVAGVAALYLQENNGLTPLQLTGLLNSR--ASENKVSDTR--------------------

General information: TITO was launched using: RESULT: Template: 1S2N.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1586 -5227 -3.30 -22.05 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -3.30 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_1S2N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1S2N-query.scw PDB file : Tito_Scwrl_1S2N.pdb: