Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFLGGSLRSGGGHRRDKGFSAKNKVQQYHGDGSESIILVGRPFRVLQKISDVPPPYMVGRQRSTKYGEGGSSYVYLVENTNHLPEFPRHLALKRSFFGVDQVTEAHKEVDIVSHIEDKNIVRVYHSEISRSEGRLGVSIAMEYCS-NNLYRRIRSSAGTGPGTRLTEAEICHVMFAVTSAVGYLHAQQPPITHRDIRPENILINNKHAGPTAYKLTNFGNATTEAYQCETREEANMAIADIQMHTNPAFRAPEMADPWSKKRICEKTDMWAMGVLLYYMMYLCLPFDPSTTIGKENWVV----TFPSQAMTSYTTSLRVMAEHLLDPDPCSRWDVFALTNYMRFDEDCSRH-----LGTFCFTKTEWPEGWEEQDVKVLGRAPPPKAPPVSYNEPGHEQLDSRGLSGQERVYGHVNRHQPPDDRGNGRDNAVVDSDAVQEAMIVLGGDPADDDPAVAECRHQIIMEQQEAWRRAKAAAGLRDSPPMEPQESSAAPAPTRANNGAERDVFDDLFASASPTVFPTSQAPPVMSPSAPPATHQPPEKDAFSASDLFSTSAPQLHPSYPMMSTYGQAPQQMAMGGWGSGAPVMGGGGYPMQQPQNQQQASWGYGVSNANNYAPPPPPPQQQQQPFTNFLAPVPGQQPSQQPETSQPPTARATAKRDPFADLFN 1KOB Chain:A ((23-374)) ------------------------------INDYDKFYEDIWKKYVPQPVEVKQGSVYDYYDILEELGSGAFGVVHRCVEKATGRVFVAKFINTPY---PLDKYTVKNEISIMNQLHHPKLINLHDAFEDKY----EMVLILEFLSGGELFDRI-----AAEDYKMSEAEVINYMRQACEGLKHMHEHS--IVHLDIKPENIMCETKKASS--VKIIDFGLATK----LNPDEIVKVTTA------TAEFAAPEIV---DREPVGFYTDMWAIGVLGYVLLSGLSPFAGEDDLETLQNVKRCDWEFDEDAFSSVSPEAKDFIKNLLQKEPRKRLTVHDALEHPWLKGDHSNLTSRIPSSRYNKIRQKIKEKYADWPAPQPAIGRIANFSSLRKHRPQEYQIYDSYFDRKEA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KOB.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 : 1819 -10638 -5.85 -31.10 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -5.85 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_1KOB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KOB-query.scw PDB file : Tito_Scwrl_1KOB.pdb: