Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFMTESRLTHLKQLEAESIHIIREVAAEFENPVMLYSIGKDSAVMLHLALKAFYPAKLPFPLLHVDTGWK-FKDMIAFRDNMAKTHGFDLIVHQNKEGREAGI---NPFDHGSSKYTDIMKTQALKQALDKYQFDAAFGGARRDEEKSRAKERVYSFRDSKHRWDPKNQRPELWNLYNGKVNKGESIRVFPLSNWTELDIWQYIYLENIQIVPLYFSAVRPVVERSGTLIMVDDERMRLKEGEVPQMKSVRFRTLGCYPLTGAVESEADTLPEIIQEMLLATSSERQGRMIDHDEAGSMEKKKQEGYF 2DPL Chain:A ((4-186)) -----------GRFVEEKVREIRETVGD-SKAIIALSGGVDSSTAAVLAHKAIG---DRLHAVFVNTGFLRKGEPEFVVKTFRDEFGMNLHYVDAQDRFFSALKGVTDPEEKRKIIGR-VFIEVFEEVAKKIGAEYLIQGTIAP---------------------------------------LNLKLIEPLRDLYKDEVRELAKFLGLPEKIYNRM-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DPL.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 : 699 -43687 -62.50 -276.50 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -62.50 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_2DPL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DPL-query.scw PDB file : Tito_Scwrl_2DPL.pdb: