Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALNKPKIVILGAGYGGLMTVTRLTKYVGPNDADITLVNKHNYHYETTWMHEASAGTLHHDRCRYQIKDVINQSRVNFVQDTVKAIKIDEKKVVLA--NG---ELQYDYLVIGLGAVPETFGIKGLKEYAFPIANINTSRLLREHIELQFATYNTEAEKRPDRLTIVVGGAGFT-------------------------GIEFLGELAARVPELCKEYDVDRSLVRIICVEAAPTVLPGFDPELVDYAVHYLEENGVEFKIGTAVQECTPEGVRVGKKDEEPEQIKSQTVVWAAGVRGHPIVEEAGFE--NMRGRVKVNPDLRAPGHDNVFILGDSSLFMNEDTERPYPPTAQIAMQQGITVAKNLGRLIKGG-ELEEFKPDIKGTVASLGE-HNAVGVVYGRKLKGTPASFMKKVIDNRSLFMIGGLGLTLKKGKFKFF 3H8L Chain:A ((2-357)) -----TKVLVLGGRFGALTAAYTLKRLVG-SKADVKVINKSRFSYFRPALPHVAIGVRDVDELKVDLSEALPEKGIQFQEGTVEKIDAKSSMVYYTKPDGSMAEEEYDYVIVGIGAHLATELVKGWDKYGYSVCEPEFATKLREKLESF------------QGGNIAI-GSGPFYQGHNPKPKVPENFVPNADSACEGPVFEMSLMLHGYFKKK----GML-DKVHVTVFSPGE-YLSDLSPNSRKAVASIYNQLGIKLVHNFKIKEIREHEIVDEK----GNTIPADITILLPPYTGNPALKNSTPDLVDDGGFIPTDLNMVSIKYDNVYAVGDANSMT-------VPKLGYLAVMTGRIAAQHLANRLGVPTKVDKYYPTIVCVA-DNPYE-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3H8L.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 : 1782 -52648 -29.54 -163.50 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -29.54 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_3H8L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3H8L-query.scw PDB file : Tito_Scwrl_3H8L.pdb: