Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKVILAAFILVGSTLGAFSFSSDASAKHVNGNITWYNGVGKKGSSGK-KLGHWDC--AT-KIGFDVP-RNGTKIRAYAKAKPKKVITV---YKND---V----------GRMPNAVLDVSPKAFKALGYPLSKGKVAGHYSY 4PMK Chain:A ((91-188)) ------------------------------------------GPSECDESYHSNNERIVALSTGWYNGGSRCGKMIRITA-S-NGKSVSAKVVDECDSRHGCDKEHAGQPPCRNNI--VDGSNAVWSALGLNKNVGVVDITWSM

General information: TITO was launched using: RESULT: Template: 4PMK.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 : 278 -15492 -55.73 -201.19 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -55.73 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_4PMK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PMK-query.scw PDB file : Tito_Scwrl_4PMK.pdb: