Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEMSFIAQDFEKLDIITVLEGRTQAII------------RNHFLRYDRVVRCRVKIITMD--MFSPYYDLARQLFPCAKIVLDRFHIVQHLSRAMSRVRVQIMNQLDRKSHEYKAIKRYWKLIQQDSRKLSDKHFYRPTFRMHLTNKEILDKLLSYSQDLKHHYQLYQLLLFHFQNKEPEKFFGLIEDNLKQVHPLFQTVFKTFLKDKEKIVNALQLPYSNAKLEATNNLIKLIKRNAFGFRNFENFKKRIFIALNIKKERTKFVLSRA 3K1T Chain:A ((184-243)) --------------IPDILQGLEQSLIPPLHAGWATRRKSNHFTAYDRVVEEFAPLIDIDPWLLNPYFDTCGGL---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3K1T.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 : 30 -7879 -262.63 -171.28 target 2D structure prediction score : 0.28 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -262.63 2D Compatibility (Sec. Struct. Predict.) : 0.28 1D Compatibility (Hydrophobicity) : 0.58 QMean score : -0.007

(partial model without unconserved sides chains): PDB file : Tito_3K1T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K1T-query.scw PDB file : Tito_Scwrl_3K1T.pdb: