Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MIPSMCRLMP------VSFRIRIYHFLSSLGSRVYGSSCSLRVQQLPFGVYLKTKSVED------HQALKIEFGALQLVRSQTQIPVPRPLDLLSDTE---TSYLLTTTLPGQRFGSYIDIL---------SDHDLDLFTRDMQRYLTQLRSISRPRTPKYEIRNAIGGPYYDYRIIAAHDYDKECGDFFGPCTDEEDFNNILRTPALPYVFHSTGHNIVFTHSDINMRNVLMHNGRISGIADRENSGWFSDHWEYTKAHYVTKLHKRWLAV--------VNRIFESFGDFTLDLEIERRLWEYCF------------------------------------------------ 3ATS Chain:A ((1-357)) TLPAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNT----FSFLTDTTLHRHFNWVRSWYDFAVEGIGR---SPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWACVFMRTGARRVHFGEIEKPDDVESLFYHAGLMKHLLGEEH

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 : 1140 -10964 -9.62 -41.06 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -9.62 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.301

(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: