Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEDVQAVRGYLERSGWL--EGIREVR--FLAAGEYNENHYVRAS--------GGEYVLRINHGSQLG--LGREQIGYEFSVLSAVAP-SGV-TPRPYRVDPWPEGLSGGTLLMDYLPGRPLDY----------------S---HDLERAARILARVHALPPDD-GLIR--QDRA---VLDIVAESEGLLDRYPDHPRPEMRDRLLAYRDDVLTLNERSRDFLASEPPVMVNTEVNSGNFIMSHMDGRHGKGDFLVDWEKAVVSTRHQDLGHFLAPTTTLWKTDTQL---D---REQREAFLSAYRRELLLLGAAAPDMDALREGSAILERTILLRALSWSHMAYCEYTRAERAIRNADTLAKIRQYLDNAECFLTWKE 3ATT Chain:A ((2-321)) --LPAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT----DTTLHRHFNWVRSWYDFAVEG--IGRSPLLERTFEWLQSHWPD---DAAAREPVLLWGDARVGNVLYRDF-----QPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGV-------E---LGDLHWFYVYSGVMWACVFM-------------------------------------

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 : 1157 5449 4.71 20.33 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 4.71 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.289

(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: