Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGAAEIIEAILGESGPDY-ESYSFEETPGDTRSDSHFVTVEYQGESYEVVVKLAPEVD-STFAVEPFLHEYVAERTDVPLPGILVFKEEPEQDVPPYFITERIHGDNLDEHFESFSMDERGAIMFEIGEILGDMHSTIAF-EGYGRLDLDD--GRLIVRDLSWDWRAYFEEL-TQGHIDQLAETT-FEDLQPTARERLADRLSVVPKQGTPRLVHDDFRPGNLLIEPDGPEISAVLDWEKTLAGDPLYNLAQIELLFIDSVFRDPDEREQLRERLYEGYGTETDFDADESYQACKPLYQFSTLVWRMAGFDSIYGDASPLARTRAEAYYREQFTNLARTLEPDR 3JR1 Chain:A ((19-288)) --GMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDE-VQ---TVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQ---GHSFLLLEALNKSKN-----------KQSSFTIFAEKIAQLHQI-QGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLS--KHNPKPSILHGNLWIENCIQV-DD-KIF-VCNP-ACYWGDRECDIAFSSLFE------------PFPTNFYQRYNEIYPLE--EGYLERKLIYQLYYLLNFSYRY----------------------------------

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1286 -3651 -2.84 -13.88 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -2.84 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.295

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: