Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLIVSVMPRSLEE--AQALDATRYLDADIIEWRADYLPK----EAILQVAPAIFEKFAGRELVFTLRTRSEGGEIDLSPEEYIHLIKEVAQLYQPDYIDFEYYSYKDVFEEMLDFPN-----LVLSYHNFQETP--ENMMEILSELTILNPKLVKVAVMAHTEQDVLDLMNYTRGFKTLNPEQEYVTISMGKVGKVSRITADVTGSSWSFASLDEVSAPGQISLASMKKIREILDEA 3NNT Chain:B ((41-275)) -KIIVSLMGKTITDVKSEAL-AYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPMIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQ-

General information: TITO was launched using: RESULT: Template: 3NNT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1228 -10117 -8.24 -45.57 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -8.24 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_3NNT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NNT-query.scw PDB file : Tito_Scwrl_3NNT.pdb: