Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGRSCVALVLLAAAVSCAVAQHAPPWTEDCRKSTYPPSGPTYRGAVPWYTINLDLPPYKRWHELMLDKAPVLKVIVNSLKNMINTFVPSGKIMQVVDEKLPGLLGNFPGPFEEEMKGIAAVTDIPLGEIISFNIFYELFTICTSIVAEDKKGHLIHGRNMDFGVFLGWNINNDTWVITEQLKPLTVNLDFQRN--------------NKTVFKASSFAGY-VGMLTGFKPGLFSLTLNERFSINGGYLGILEWILGKKDVMWIGFLTRTVLENSTSYEEAKNLLTKTK--------ILAPAYFILGGNQSGEGCVITRDRKESLDVYELDAKQGRWYVVQTNYDRWK----------------H-P--FFLDDRRTPAKMCLNRTSQ---ENISFETMYDVLSTK--P--VL---NKLTVYTTLIDVTKGQFETYLRDCPDPCIGW 3HBC Chain:A ((2-274)) --------------------------------------------------------------------------------------------------------------------------------------------NACTRAVYLGPDRMVVTGRTMDWK--I--------------MSNI----YVFPRGMQRAGHNKEKTVNWTSKYGSVIATGYDIGTCDGMNEKGLVASLLFLPES--VY---SLP-GDTRPAMGISIWTQYVLDNFATVREAVDEMKKETFRIDAPRM--STLHMAIT-DETGNTAVIEYLDGKL-SIHE-----GKEYQVMTNSPRYELQLAVNDYWKEVGGLQMLPGTNRSSDRFVRASFYIHAIPQTADAKIAVPSVLSVMRNVSVPFGINTPHISSTRWRSVSDQKNKVYYFES----------

General information: TITO was launched using: RESULT: Template: 3HBC.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 : 1102 11798 10.71 56.18 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : 10.71 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.330

(partial model without unconserved sides chains): PDB file : Tito_3HBC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HBC-query.scw PDB file : Tito_Scwrl_3HBC.pdb: