Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSAYCTVLSKGRLYQAVALFKSLEQVDQDSPIFILCMDEDTHRVLQKLKMKQLNLVPVAALENELLLKLKE-TRDQSEYCWTMKPIFLQAVLNSNPELERVTYIDGDLFFYADPSPIFENQPDCSVLLSRGDIVIPSFEKEQIDMLQRLLGRYNSGFISFKHDDAGTDCLEWWKERCLEECKNAPGEGKFGDQGYLDYMSELF---PNVCDITTPGVNIGHWNYGQHTFSWKDGRIVLEDGSPLIFYHFSGYRIVSINEIKQIHET------------TRTDLPFVHELYQETLPHIIQHMQTLDPEFNGFASKDDNK 3U2U Chain:A ((6-258)) --AFVTLTTNDAYAKGALVLGSSLKQHRTTRRLVVLATPQVSDSMRKVLETVFDEVIMVDVLDSGDSAHLTLMKRPEL-GVTLTK-LHCWSLT----QYSKCVFMDADTLVLANIDDLFDRE---ELSAAPDP---------------GWPDCFNSGVFVYQPSVETY---NQLLHL----ASE-QGSFDGGDQGILNTFFSSWATTDIRKHLP-FIYNLSSISIYSYL-----PAFKVFG-ASAKVVHFLGR--VKPWNYTYDPKTKSVKSEAHDPNMTHPEFLILWWNIFTTNV-----------------------

General information: TITO was launched using: RESULT: Template: 3U2U.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 : 1268 -147474 -116.30 -622.25 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -116.30 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.363

(partial model without unconserved sides chains): PDB file : Tito_3U2U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U2U-query.scw PDB file : Tito_Scwrl_3U2U.pdb: