Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MLYIWMPETNG------VWHWSNGENWL--QAASLDQLIQDLQIHQGKEAAVFFPSRHAQMLQQTMAKFHYKQLGADG-VKYLLEEFVTLPIDHMKVVHHFHADQLTVLAVAQGMVETWQHSLALLPTKLVALLPDFLVLPEPQAQQVILCNIGHQLLVRENKWLG-NSIDD-LGLFLEFQSAETHYQYSGLTA-EQLESLEAASSAEQRSEFVYQF-QPLDKTKQHPFNVLPKSKGQERTFSNYWKACAAVVLAIIVVQFSYDLLRWVKLKKVADQTAEQAIEQYKYWFGSSSGRVTEQNVRSNFKSRLEVSQQGDTQALSLLSRVGPILMQRQILAQQLNYDASILTMALKTKSADDLQALTQQLNQQGFKAELGNVQADGSGAIGVVKIQ 1W97 Chain:L ((2-239)) SEFLTVRLSSQKEADIPWLVWSAEQQEVIASGQVAGWEALHEIESYADQRSVVVLLAASDLILTSVEQLE---------NMLPYLLEDAQDVEDVHFCVLSK-GRETADVVGVDRLWLRACLDHLKACGFDVKRVLPDVLAIPRPE-HGLAALQLGDEWLVRKSTTQGMAVDAQWLSLLAASDWVQNEGEYLPLQALTPLPELSLAETQEWRYEPSGLVMQLLTQEALTSKFNLLTGSFK-----------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1W97.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain L - contact count / total energy / energy per contact / energy per residue : 1066 19513 18.30 91.18 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain L : 0.61 3D Compatibility (PKB) : 18.30 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.189

(partial model without unconserved sides chains): PDB file : Tito_1W97.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W97-query.scw PDB file : Tito_Scwrl_1W97.pdb: