Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKWIYVVLVLSIAGIGGFSVHAASSAHEKHLNVSKMNVDDEFKDTDGTFILHDLQKDQTFVYNRKRANQRQTPQSTFKVVNALIGLQVKAVRDEYDVKRWDGVKREFESWNRDHTLGSAMRESAIWYYQALARDIGEERMKTWLHTLSYGNEDISGGIDQFWLQSSLTISPLEQETFLEKLAKEELPFDKPVMKIVKRMMIQEEGDHYTLYGKTGTRLTDMGLGWFVGFIKTEHGSYVFVTNVD----DSGTKAKNITVDILKKYGLITS 4S2M Chain:D ((16-236)) ---------------------------------------------SQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTG---YDTKIGWWVGWVELDDNVWFFAMNMDMPTS---GLRQAITKEVLKQEKII--

General information: TITO was launched using: RESULT: Template: 4S2M.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1094 -127298 -116.36 -594.85 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.75 3D Compatibility (PKB) : -116.36 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_4S2M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S2M-query.scw PDB file : Tito_Scwrl_4S2M.pdb: