Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRIRKAPAGILGFPVAPFNTQGKLEEEALFQNIEFLLNEGLEAIFIACGSGEFQSLSQKEYEQMVEVAVSAAGGKVPVYTGV-GGNLSTALDWAQLSEKKGADGYLILPPYLVHGEQEGLYQYAKTIIESTDLNAILYQ---RDNAVLSVEQIKRLTECEQLVGVKDGVGNMDLNINLVYTI--GDRLGWLNGMPMAEVTMPAYLPIGFHSYSSAISNYIPHISRMFYDALKNGNDELVKELYRHVILPINDIRKQR--K-GYAVSLIKAGMEIMGLNVRNTARPPVGPVEKDHYQQLEAILKQAADRFPKKAATV 4XKY Chain:A ((3-299)) -----IPLSGIIPPLVTPLLDDDVLDVEGLQRLIEHLIAGGVHALFVLGTTGESQSLSYKLRMEMIKNTCRIAKGRLPVLVCISDTSIVESVNLACLAADHGADAVVSAPPYYFATGQPELIEFYEHLLPQLPLPLFLYNMPTHTKVNFAPATIQRIAENPGVIGFKDSSANTVYFQSVMYAMKDNPDFSMLVGP---EEIMAESVLLGAHGGVNGGANMFPELYVSLYNAAKNADMEEVRRLQEKV-MQISATIYTVGQHGSSYLKGLKCALSLLGICSDY-VAAPFHKFEQRERGKIWKALQNLG----------

General information: TITO was launched using: RESULT: Template: 4XKY.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 : 1605 -196116 -122.19 -680.96 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -122.19 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_4XKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XKY-query.scw PDB file : Tito_Scwrl_4XKY.pdb: