Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQQSFYENTVPIAISQLRNDRQIPTLCQYFDGGQCRVFKVTFTDGESWAVRVPLFVRHASQNTVIQLLESEARILRELEVKEFSWAARLRGCSFTFDNAIRYPFIALTWIPGSQLLWSD-DFPTRPLRDKILDQVATMHISLIECSKEARG-----SSLKHFTRIIQNKTRRVREGLLPEITEQDCSDQMNILPNVLLPELDEAPFAITHGDISPQNILIDA-HHNVTGIIDWGFSSRVPFQQAACFPRFLQLQNIDLWPNSTLQKDRETYITSVRCRAPLEVSSMMIQVLSSENADFQHCFLESIISKGMHRRLARNGWGVSSCGQGSEGEANDRNL 3N4U Chain:A ((3-225)) ----TYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEI----NRDFIFKFPKHSR------GSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSE-TYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLS-RELKGPQMKKVDDFYRDILENE--IYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISD--------------------------------------------------------------------------------------------------

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 : 776 -53146 -68.49 -246.05 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -68.49 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.236

(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: