Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAIEKRNSLFNSLTQAVFDKNMANFWLQKINPLWSVQHGLVQIVKKEFVAHDTVSLTLKCNRLVKMGAA----------GQH-----HPVIVEIAGRRYE--RTYSLTQIDAEH-LRLTVKKVAD------GIVSNWFIAESKIGDVFELGQPYGD-------MQQNIQTPKLIMLAAGSGITPMLSLITAIKQSQQLEKTQVQLLYWVKQRSDA---AFTEYFEQVAEQNPNFSYQVFYTQETPNDERLNAEHLALVDGIENSTVYACGPSGFISTVEQLFEKAPTVLTEAFSLINESSADDIGYVNVTLTQSNKVIAIPKGQSILVSLEHEGLKPTHGCRMGICNKCVCSKTQGSTRNLLNGSQNTEPSQLLKICVNSAQSDLVIDL 4G1B Chain:A ((153-371)) ------------------------------------------EITAKEYVASDIVEFTVKP----KFGSGIELESLPITPGQYITVNTHPIRQE---NQYDALRHYSLCSASTKNGLRFAVKMEAARENFPAGLVSEYLHKDAKVGDEIKLSAPAGDFAINKELIHQN-EVP-LVLLSSGVGVTPLLAML-----EEQVKCNPNRPIYWIQSSYDEKTQAFKKHVDELLAECANVDKIIVHTDTEP---LINAAFLK-EKSPAHADVYTCGSLAFMQAM---------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4G1B.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 : 888 38294 43.12 206.99 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 43.12 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_4G1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G1B-query.scw PDB file : Tito_Scwrl_4G1B.pdb: