Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLPLLEVSQLKMHFDAGKKRTVKAVDGVTFQIREGETFGLVGESGCGKSTLGRVLMRLYQPTEGSVTYRGTNLHALSEKEQFAFNRKLQMIFQDPYASLNPRMTVREIILEPMEIHNLYNTHKARLLVVDELLEAVGLHPDFGSRYPHEFSGGQRQRIGIARALSLNPEFIVADEPISALDVSVQAQVVNLLKRLQKEKGLTFLFIAHDLSMVKHISDRIGVMYLGHMMEITESGTLYREPLHPYTKALLSS---IPIPDPELEDKRERILLKGELPSPVNPPSGCVFRTRCPEAMPECGESRPQLQEIEPGRFVACHLYRNAETKEKVR 3TUZ Chain:H ((24-280)) -----MIKLSNITKVFHQGT-RTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQH-FNLLSSRTVFGNVAL-PLELDNTPKDEVKRR--VTELLSLVGL-GDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIP----EDYQERL------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TUZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1267 -185537 -146.44 -730.46 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain H : 0.77 3D Compatibility (PKB) : -146.44 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_3TUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUZ-query.scw PDB file : Tito_Scwrl_3TUZ.pdb: