Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLSSVAASFELGRDIEPSVVAMLQQAANNKSHGVYQSLSAEQLLPKLEAFIRAQGLAGAEVKGLRRMGGGASKEQFVFDLHSAAGPVQRCVLRMDPLESAVVTDRRKEYEVLNCMQSVLPVPPVLWADIEGAELGRPALICGFIGGVTKPSGDSGNVSGLGAL--LPERFRERLSAQFIDYLVAMHGVAVDFKPEVFQVPDADPQQAARWQLNWWSSVWQDDAIEGSPLMGLAERWMRDNLPSARELVVVHADYRTGNYLFDEDSQEISTVLDWELAHIGDYHEDLAWIICHKGVTEDGQIMASGLMTPEELCERYRAA--TGRLVDAKTLHFYKVLSVYKCVAICLATAAQTASRKHSHQDVLLSWLTAAGHSFSAELLSLLKEVQ 1ZDY Chain:A ((3-303)) ----------------EAADVERVYAAMEEAAGLLGVACARDKIYPLLSTFQDTLVEGGSVVVFSMASGRHSTELDFSISVPTSHGDPYATVVEKGLFPAT-------GHPVDDLLADTQKHLPVSMFAIDGEVTGGFKKTYAFF-----PTDNMPGVAELSAIPSMPPAVAENAELFARYGLDKVQMTSMDYKKR---------------QVNLYFSELSAQTLEAESVLALVREL-GLHVPNELGLKFCKRSF------------SVYPTLNWETGKID--------RLCFAVISNDPTLVPSSDEGDIEKFHNYATKAPYAYVGEKRTLVYGLTLS-----------------PKEEYYKLGAYYH------ITDVQRGLLKAFD

General information: TITO was launched using: RESULT: Template: 1ZDY.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 : 1626 -64856 -39.89 -218.37 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -39.89 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.247

(partial model without unconserved sides chains): PDB file : Tito_1ZDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1zdy-query.scw PDB file : Tito_Scwrl_1ZDY.pdb: