Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKFLNPQYLFQLLSPCLLCEIGTREKYSLCKECWEQLPWLKQTIQRNDQSVLVACHYAYPINRIIQQFKYEQKLHYQTLLAEVLQQLKFPKVQAIVPM--------------PISKQRLTERGFNQ---SLLLANLLGKQLKIPVWQPVQRLN--------------------EHSQKGLSRLERFENIEQQFVALTQENRRY------RRVLIIDDVITTGSSIHALSQALKQLGCTSIHA---------SCLAAASSTSY------------------------------------------ 1DKU Chain:A ((9-316)) NLKIFSLN-SNPELAKEIADIVGVQLGKCSVTRFSDGEVQINIEESIRGCDCYIIQSTSDP---------VNEHIMELLIMVDALKRASAKTINIVIPYYGYARQDRKARSREPITAKLFANLLETAGATRVIALDLHAPQIQGFFDIPIDHLMGVPILGEYFEGKNLEDIVIVSPDHGGVTRARKLADRLKAPIAIIDKRMNIVGNIEGKTAILIDDIIDTAGTITLAANALVENGAKEVYACCTHPVLSGPAVERINNSTIKELVVTNSIKLKIERFKQLSVGPLLAEAIIRVHEQQSVSYLF

General information: TITO was launched using: RESULT: Template: 1DKU.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 : 864 -75097 -86.92 -373.62 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -86.92 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.344

(partial model without unconserved sides chains): PDB file : Tito_1DKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DKU-query.scw PDB file : Tito_Scwrl_1DKU.pdb: