Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPLGPEGVTRGWLGAALGR-DVSDLRLV--RVGVDEGFTGTRLYRAEIGG-------GASVIVKLASEDAALRARFAA-ENAREVAFYHHYAE--GLPVPRCYHAASDAE-AGASVVVLEDLGGARSVPFVT---------GLSR----DEAEAAVRALARCHAAHWGAAGLADLPGASVAQE-L-GFAACWDGYAQALQGLLPGADLSPEVLALGAAMARDAAAVLGPILDDGVLTLRHGDVQADNLMFDG-PGAVLLDWQFMARGRGGSDLAYLLISSLEPEVRR-----------AHEAALIACYLNALQEQGIAYEHAALWRDYRRGVAVKLLMSVVATVGMDNQGAAKQAWRRADLARLLAFAADHGAGEAA 3ATT Chain:A ((3-298)) -----PAVISRWLSSVLPGGAAPEVTVESGVDST--GMSSE-TIILTARWQQDGRSIQQKLVARVAPAAEDVPV-FPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT-----DTTLHRHFNWVRSWYDFA-----VEG--IGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALT-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ATT.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 : 1049 -30528 -29.10 -122.11 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -29.10 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.197

(partial model without unconserved sides chains): PDB file : Tito_3ATT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3att-query.scw PDB file : Tito_Scwrl_3ATT.pdb: