Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKKEIVLTAAMMLFSMVASTTFVSATEVYPKEYNTEGTITFEAGDEGVTPPVDPENPDPNK---PVDPSDPPSPG-TGGALSIDYGSKFKFGTQKISTADKTYYAAADVMNDGSRKPTYVQVTDRRSTLSGWKLSVSQPEQFKTASGDELVGAQLKFTKGQAVSLVDPTYTPQTVNSELTLTPGGNNTLAINAKSGTGVGTWVYRFGANENENQDAVQLSVPGKSVKLAQQYSTKLVWTLEDTPNN 2QNO Chain:A ((113-195)) ------------------------------------------------------PEFQDPSKYPSPLDTSQPVGRDPINSQLTSAYGTSMLYGMHWILDVDNWYGFGARA--DGTSKPSYINTFQRGEQESTWE-TIPQP-----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2QNO.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 : 150 15813 105.42 200.16 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 105.42 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.290

(partial model without unconserved sides chains): PDB file : Tito_2QNO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QNO-query.scw PDB file : Tito_Scwrl_2QNO.pdb: