Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTELHSLVFDTLSHDQQVARLHELARHALQQWDGEFADIELVKFRENAVFSARRH-DGQRVALRIHRNGYHSQAALRSELQWMEALADAGIT-VPPIIRAQNQSHLVEVTHQAIGEPRHIDMLAWLPG-ATAGTSENGVQADTEIDFLFSEAGAIAARIHLHSAHWQQPDEFVRHAWD--EEGLIGANPFWGRFWEL-EQLSD------EQRDLLQQARRTARKDLRQ------YGRHLGNFGMIHADLVPENLLIE-GPRLRLIDFDDAGFGWHMFELATALYF-CLDDPRYEQIKVALLDGYNAVKPLTEADRKTLALFLMLRGTTYLGWIHTRQGTPTAIEMAPMLIERACLLAREYLQV 4PDY Chain:A ((22-305)) ----------------------LIPQAVVSKYDLAIQQR-----HADGNIEVWTDSKGRRYAAKRSSIA---PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRH------GDFTYYVTEWVSGQPANFG----------LPEHVAQTAYTLAQFHEATRSFRTDWK---DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLP-----------------------------------

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 : 1096 -27978 -25.53 -108.02 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -25.53 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.370

(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: