Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLSSVAASFELGRDIEPSVVAMLQQAANNKSHGVYQSLSAEQLLPKLEAFIRAQGLAGAEVKGLRRMGGGASKEQFVFDLHSAAGPVQRCVLRMDPLESAVVTDRRKEYEVLNCMQS--VLPVPPVLWADIEGAE--LGRPALICGFIGGVTKPSGDSGNVSGLGALLPERFRERLSAQFIDYLVAMHGVAVDF-KPEVFQVP-DADPQQAARWQLNWWSSVWQDDAIEGSPLMGLAERWMRDNLPSARELVVVHADYRTGNYLFDEDSQEISTVLDWELAHIGDYHEDLAWIICHKGVTEDGQIMASGLMTPEELCERYRAATGRLVDAKTLHFYKVLSVYKCVAICLATAAQTASRKHSHQDVLLSWLTAAGHSFSAELLSLLKEVQ 5IGI Chain:A ((10-258)) ---------------------------------------------SQLYALAAR-HGLK-LHGPLTVNELGLDYRIVIATVDD----GRRWVLRIPRRAEV-SAKVEPEARVLAMLKNRLPFAVPDWRVANAELVAYPMLEDSTA-VIQPGSSTPDWV-----------VPQDSEVFAESFATALAALHAVPISAAVDAGMLIRTPTQARQKVADDVDRVRREF----VVNDKRLHRWQRWLDDDSSWPDFSVVVHGDLYVGHVLIDNT-ERVSGMIDWSEARVDDPAIDMAAHLMVFG-----------EEGLAKLLLTYEAAGGRV--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IGI.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 : 1020 -41183 -40.38 -170.18 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -40.38 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.129

(partial model without unconserved sides chains): PDB file : Tito_5IGI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igi-query.scw PDB file : Tito_Scwrl_5IGI.pdb: