Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDRIERAAAFIKQNLPESPKIGLILGSGLGILADEIENPVKLKYEDIPEFPVSTVEGHAGQLVLGTLEGVSVIAMQGRFHFYEGYSMEKVTFPVRVMKALGVEALIVTNAAGGVNTEFRAGDLMIITDHINFMGTNPLIGPNEADFGARFPDMSSAYDKDLSSLAEKIAKDLNIPIQKGVYTAVTGPSYETPAEVRFLRTMGSDAVGMSTVPEVIVANHAGMRVLGISCISNAAAGILD-QPLSHDEVMEVTEKVKAGFLKLVKAIVAQYE 4NSN Chain:A ((29-295)) ---HYHEAASFLSSRLPGDAKTAIILGSGLGELAEKIENKTVIPYNEIPHFAQATAVGHKGNIIGGILGGTPVVAMQGRFHYYEGYSMDQVTFPIRVMKLLGIENLFVSNAAGGINTSFKVGDLMIICDHINNLP-NPLIGPNMDMFGVRFPDMTRAYDREFIAKAKGIAQELNIPVKEGVYVGLTGPSYETPAEYKFWGQVGGDAIGMSTVPEVIVARHTGIRVFGMSVITNEGYHFADDFVNDEQDVIRAANAASEKMGAIFARLIAAV-

General information: TITO was launched using: RESULT: Template: 4NSN.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 : 1595 -176995 -110.97 -665.39 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -110.97 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.613

(partial model without unconserved sides chains): PDB file : Tito_4NSN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NSN-query.scw PDB file : Tito_Scwrl_4NSN.pdb: