Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQLRAELSHLLGEKLSRIE--CVNEKADTALWALYDSQG-----NPMPLMARSFSTPG--------KARQLAWKTTMLARSGTVRMPTIYGVMTHEEHPGPDVLLLERMRGVSVEAPA-----------RTPERWEQLKDQIVEALLAWHRQDSRGC-VGAVDNTQENFWPSWYRQHVEVLWTTLNQFNNTGLTMQDKRILFRTRECLPALFEGF--NDNCVLIHGNFCLRSMLKDSRSDQLLAMVGPGLMLWAPREYELFRLMDN----S---------------LAEDLLWSYLQRAPVAESFIWRRWLYVLWDEVAQLVNTGRFSRRNFDLASKSLLPWLA 3ATT Chain:A ((23-302)) -----------------TVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT-------DTTLHRHFNWVRSWYDFAVEGI---GRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRD--FQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVEL-----------------------------------------

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 : 885 17269 19.51 76.07 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 19.51 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.264

(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: