Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKLSTMLKVDRTVDKEGQSPIAEHILEQWEHDQGSAQFFRSSTNFVYIF-RKGGE-TCFLRFAESTERTRAEIEAEMALLNFLASQGMT-VATPVVSKNGRCVATVETDLGTFHAVVFTQLPGREVEIEELSPAQFEIWGATLGKLHAMTHRYQDPKVAARGTWRDH----LTLVRNAV---PT--D-----------EPRVQAECDYLTSFLA------ALPVTEMNSGLIHGDFELDNLRWQD-ETLAMFDFDECAASWYIADVAFALRDLFETGVDLS-HPSFRAFIRGYCEQYSLDEELLSHLPTFMRLVNLIIYAKLVRATDLTQDQDYPEWCTSLLLKLENWKQNYKTSLLSIPV 4PDY Chain:A ((22-305)) --------------------LIPQAVVSKYDLAIQQR---H--ADGNIEVWTDSKGRRYAAKRSSIA---PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRH----GDFTYYVTEWVSGQPANF--GLPEHVAQTAYTLAQFHEATRSFRTDWK---DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLER--GNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLP--------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 1006 -40777 -40.53 -164.42 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -40.53 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: