Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MVYFVAFFCFAITLHNIEEAIWLPEWSQQSSKFQKPVTSNEFHFAVIVITMLAYLSAFGFLY--MPESDIAKWIFIGFLGSMVINAIFPHLIATVVMKKYAPGLLTGLLLNIPVNSLVIYQMFLKNLIVWKELIISTLVVGIILLALIPLLFKVGDKVSP-------------------------------------------------------------------------------------------------------------- 3KMQ Chain:A ((1-476)) GLIVDTRDVEERVHVMRKTKLAPTVAHGVFNPEFGPAALSNKDPRLNEGVVLDEVIFSKHKSDTKMSAEDKALFRRCAADYASRLHSVLGTANAPLSIYEAIKGVDGLDAMEPDTAPGLPWALQGKRRGALIDFENGTVGPEVEAALKLMEKREYKFACQTFLKDEIRPMEKVRAGKTRIVDVLPVEHILYTRMMIGRFCAQMHSNNGPQIGSAVGCNPDVDWQRFGTHFAQYRNVWDVDYSAFDANHCSDAMNIMFEEVFRTEFGFHP---NAEWILKTLVNTEHAYENKRITVEGGMPS---------GCSATSIINTILNNIYVLYALRRHYEGVELDTY----------------TMISYGDDIVVASDYDLDFEALKPHFKSLGQTITPADKSDKGFVLGHSITDVTFLKRHFHMDYGTGFYKPVMASKTLEAILSFARRGTIQEKLISVAGLAVHSGPDEYRRLFEPFQGLFEIPSYRSLYLRWVNAVCGDAAALEHH

General information: TITO was launched using: RESULT: Template: 3KMQ.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 : 168 -8107 -48.25 -62.36 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -48.25 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.150

(partial model without unconserved sides chains): PDB file : Tito_3KMQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KMQ-query.scw PDB file : Tito_Scwrl_3KMQ.pdb: