Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALFLQRSNQHSNNNRLKRMKSHLRVHYFQHIAGEGFGSCYSFLKAHHATITATEFFALPVDLPLEIEALP--YIEDVDLLLIMGGTMSVNDEANYPWLKIEKRWIRRYLAAGKPAIGLCLGGQLIANALGAAVSRNRYQELGWSTVQRVPNLPKESFL--LPEKINVMQWHSETF-EIPKGAIHLAENSVCRNQMYQIG-SNVLGFQFHPEMTP-----KVLNLLLENEQELSIFKGEYVQSLDELHHCDIQKFEQGNQLLNRAIEFVVNQ 2YWC Chain:A ((1-212)) ------------------------MVLVLDFGS-QYTRLIARRLRELR--AFSLIL--PGD---A---PLEEVLKHRPQALILSGGPRSVFD-PDAPR------PDPRLFSSGLPLLGICYGMQLLAQELGGRVERAGRAEYGKALLTRHE----GPLFRGLEGEVQVWMSHQDAVTAPPPGWRVVAETEENPVAAIASPDGRAYGVQFHPEVAHTPKGMQILENFLELA------------------------------------------

General information: TITO was launched using: RESULT: Template: 2YWC.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 : 991 -44031 -44.43 -254.51 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -44.43 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.392

(partial model without unconserved sides chains): PDB file : Tito_2YWC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YWC-query.scw PDB file : Tito_Scwrl_2YWC.pdb: