Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKDIENRFGAKIQDIK--VLKSGWAGEIISLEFKDN------TQKYVIKTYNSSKN----GLENIKQEWTGLNLLYN-ANYPVPRPIISD-F-V-NEKPYIVMEKIEGENLWTCYQ---------TLSKEDRQQLLEKFVKVFLKLHELDVSI-IDKELRKDSTSSFIEKEINEIKKLVEENK----LEYF-TQIIDWLQKEKANI--IGEKLSIIHRDYHPWNVIVDNNKAIYVIDLLW-GIGDYRFDLAWMYTLMERSGF---------E---DFSQNALKKYKELKNQNINNFEYFKVFSTLRWLINVMISLKTGENLNETRNKEFENFVSPLIQNRIMSIKKITGIQITI 3ATS Chain:A ((22-318)) -------------VTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT----DTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHW-PDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWAC---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 997 24611 24.68 100.04 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 24.68 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: