Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKIFIYAGVRNHNSKTLEYTKRLSSIISSRNNVDISFRTPFNSELEISNSDSEELFKKGIDRQSNADDGGVIKKELLESDIIIISSPVYLQNVSVDTKNFIERIGGWSHLFRLAGKFVVTLDVAESNGSDNVSEYLRDIFSYMGGQILHQVSITNSLKDIAEAQLMEATYKIEDVLEGKIKYKTTDYQERAYQTLKLILENYDSEHFEKMYWEKKRLFEANSLEEWYYVENIK 2OYS Chain:A ((2-231)) -NKIFIYAGVRNHNSKTLEYTKRLSSIISSRNNVDISFRTPFNSELEISNSDSEELFKKGIDRQSNADDGGVIKKELLESDIIIISSPVYLQNVSVDTKNFIERIGGWSHLFRLAGKFVVTLDVAESNGSDNVSEYLRDIFSYMGGQILHQVSITNSLKDIAEAQLMEATYKIEDVLEGKIKYKTTDYQERAYQTLKLILENYDSEHFEKMYWEKKRLFEANSLEEWYYVE---

General information: TITO was launched using: RESULT: Template: 2OYS.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 : 1127 -94289 -83.66 -409.95 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.99 3D Compatibility (PKB) : -83.66 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.613

(partial model without unconserved sides chains): PDB file : Tito_2OYS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OYS-query.scw PDB file : Tito_Scwrl_2OYS.pdb: