Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGILEYTSQLDIEFKKALGLIF-K-QELNLERIKQGEVNYSYKVTSEQDIPLYHARIFRYEG-HPDTEKLLWISGELKK-RNIPQARILYREKSSINFPNGFMVSNWIEGKNGWQSI-KDG-AYSLKNFTLETAKILLKIHEIKVASFGWPYGKGWGYYNTYQDRITGLPNNDEFKKLFNNDYLKRKYVLNIVSLLLKALEKIPF-PEQPILAHSDPTPDNIIVRN--DRSLVLIDWDDSEGSWWVRDYSYLRYWS-DKPEEIKAGFFSGYGKIDMNESEIEIAELVEWILQSLRLLPYYKFSFADEGKYQKRMTRLKENVRQLKLLV 3N4U Chain:A ((7-282)) -----------DQVEKAIEQLYPDFTINTIEISGEGNDCIAYEI---N-R-DFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNL------VLDFREKINEDN--KKIKKLLSR-ELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIP--TVLEKYRMKEKYWSFEKIIYGKEY-------------------------

General information: TITO was launched using: RESULT: Template: 3N4U.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 : 1158 28777 24.85 108.18 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 24.85 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.317

(partial model without unconserved sides chains): PDB file : Tito_3N4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3n4u-query.scw PDB file : Tito_Scwrl_3N4U.pdb: