Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSPIVIKPDLAIDLATAGAVVARTGVDGQIAAIS--LLYGGEISAVYELALAG-------GLPPLVLKIYPDSM------SWKMRKEARMLDLVRDRLPVPAPRLHLADASRDLIGLDYVVMSRLAGDRLGPLEQ---------QLPPPLRQSAFRQVGRLSRAFHDIAMEAFG--YIGPDGVWTAHADNRTYLTVQFDRKLTEFSSRGGAPDLALRIARHVEACSGLFEACAAPVLCHNDLHPGNILARADDDTVTLTGVVDFEGALAGDPLKDVAKALYYL-SAG---------------QREAFLEGYGPMTRTEVGATLDIYRLLFSLELWCWYAQFDATDKLAPLIADMELLLRSQ 3ATT Chain:A ((22-312)) ------------------------------VTVESGVDSTGMSSETIILTARWQQDGRSIQQ-KLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT----DTTLHRHFNW-VRSWYDFA---VEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRD--F--QPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVE-LGDLHWFYVYS-------------------------------

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 : 1009 -18196 -18.03 -74.57 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -18.03 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.267

(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: