Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKILITGANTGIGFATAEQLVKQGQHVILACRNPQKAQEAQNKLRSLDQGQVDVASLDLNSLELTQKAAEEIADKYGSLDVLINNAGLFSKTKQLTVDG-----------FEQKFGVNYLGHFLLTQKLLPVLKQFPQAHIIHLASIAHWVGSIKPNKFRAEGFYNPLFYYGQSKLANLLFSNALAEQLADSSITNNALHPGGVASDIYRDLPKPVYAAMKVGLVPTSVPAKLITEMATGDTWQNRNGEYVSAHMPDWKSSHAKNQQLARDLYQQSMNLVEKFL 4NBW Chain:A ((9-212)) ---IITGAANGIGRATALEFAQAGYHVV-AWDLAEEAGAALIAEIADAGGSADFARVDVSAAESVEAAVAEIIAEHGRVDVLVNNAGILHDGQLVKVKGGEVVKKMAEAQFDAVISVNLKGVFLCTQAVAPHMIAAKYGRILNASSVVGLYGNFGQTNYVA------------AKSGVIGMTKVWARELGRYGITVNAIAPGFIATEMVQQMPERVLEAM----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NBW.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 : 966 -75208 -77.85 -389.68 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -77.85 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_4NBW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NBW-query.scw PDB file : Tito_Scwrl_4NBW.pdb: