Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGELDDQNKDAPDDGNAARKRACLEHVLPSMQQRFAELAHASVGESSLTVEALFQRYQRVLKVGEGTFGEVFVLYDTVAHTYITMKRMHTLLSLRRRSLGIHRCTFREVELLAALQHPNIVQVLDYHILSDGSLVMLMPVIAHDLTSLLRRWPATPQSSGHGTASTAASMRPRMPLHVVKCIFRQIIAGIAYLHKHKVVHRDLKPSNVMVDHTGVVKLIDFGWSRFCAAAG-AMTGPPCVTAFRPPEVLVGAHNHYTFSLDIWCCGCILFEMLTGGTPFAKSRNEAECLANIVDWLGSPPSSSEVYYRCA-ARCTFPLAPGRPDTFAQRCNNYGIKSAEAMFLRRMLCLEPGERATAEALLRDPWFTTAPTMCVPRAIPLPAHNMFRLVEVKRKELEH 1UA2 Chain:D ((13-300)) ----------------------------------------------------------EKLDFLGEGQFATVYKARDKNTNQIVAIKKI-------------NRTALREIKLLQELSHPNIIGLLDAFGHK-SNISLVFDFMETD---LEVIIK---------------DNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFG-ARMYGVGVDMWAVGCILAELLLRVPFLPGDSD-LDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPL---H-HIFSAAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPG---------------------------

General information: TITO was launched using: RESULT: Template: 1UA2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1410 -133620 -94.77 -487.66 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.69 3D Compatibility (PKB) : -94.77 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_1UA2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UA2-query.scw PDB file : Tito_Scwrl_1UA2.pdb: