Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MYKDIKVDPAQLEAALDARLKIRAGFDKPTAG------MAAGMTQVNMISVPRDWAYDFLLYAHRNPQSCP--------VLDVL-----EEGIYATKLAADSD---IRTDFPRYRIWKDGEMVDEVTDAREIYNAHPDLVTF--LIG---CSFSFETALQEAGIEVRHIH-DDTNVPMYLSNIKCEPAGRISGNMVVSMRPIPSHQISEAVKITA-----RMP-SVHGAP-----VHIGHPESLGIKDVNKPDFGDASRIEAGEI------PVFWACGVTPQAAVINSKIPFAISHAPGYMFIT------DIPDRAWMG-------------------------------------------------------- 4ZKQ Chain:A ((14-401)) ASKVSSRLLTQDILFRKDRQATISLPIKLPVEDIITQTCDKITYGPLKFLDLLEKETAVLPLSTDITCPACLGRAVLVGKWECPAHVAVNESDLTVFGPNKEEHVPQFVTVQQPSDGKMQRLFFAKFLGTEESLAVLRVPGPDGHLCIQEALIHFKELSGAGVCSLWKANDSREEGLEMKQVDCLETTVLENQTCIATTLSKKIYHRLYCGERLMTGGQVSTRVLLTALGFYKRQPYTFHRVPKGMVYVHLIDSGSEDYMEYSECEEVTPGRYEDKQISYTFYTDLFQTADGEPVLASVWGTSGLKDSAYESCAFVIPTKGRRKLVPRRIMSKCYPFRLTYHPSTMTVRLDVRVEKHHGATDQGFVFLKMESGTYSEGREYYLDRVLW

General information: TITO was launched using: RESULT: Template: 4ZKQ.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 : 1360 1666 1.22 6.21 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 1.22 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.006

(partial model without unconserved sides chains): PDB file : Tito_4ZKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZKQ-query.scw PDB file : Tito_Scwrl_4ZKQ.pdb: