Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAVAYQKAGPITLPEALVDIELDTPVAKGHDLLIRVQAVSVNPVDTKIRKNVSAE-QSGWKVLGWDAVGTVEAIGDKVTQFKIGDVVWYAGALNRQGSNSELQLVDERIVGHKPKTLEATEAAALPLTAITAWEMLFDRLQVPKTAPANTTILVIGGAGGVGSITIQLLKQLTNLTIIATASRPETKEWVEQLGADYVLDHRQ-SLAAQIKLLGLSAPLYVFSTTETDQHLSDIVELIAPQGHFGLIDDPDQL---DI--KPFKSKSVSVHWEFMFTRSMFQTEDMEKQSALLNEVSKLVDEGKIKTTVTQVLSPINAENLTRVHEQIESGSTKGKIVLHGF 4DUP Chain:A ((7-331)) MRFVDLKSFGGP---DVMVIGKRPLPVAGEGEVLVRAEAIGVNRPDIAQRQGSYPPPKDASPILGLELSGEIVGVGPGVSGYAVGDKVCGLAN---GGAYAEYCLLPAGQILPFPKGYDAVKAAALPETFFTVWANLFQMAGLT---E-GESVLIHGGTSGIGTTAIQLARAFG-AEVYATAGSTGKCEACERLGAKRGINYRSEDFAAVIKAETGQGVDIILDMIGA-AYFERNIASLAKDGCLSIIAFLGGAVAEKVNLSPIMVKRLTVTGSTMRPR-TAE-EKRAIRDDLLSEVWPLLEAGTVAPVIHKVF-AF--EDVADAHRLLEEGSHVGKVMLTV-

General information: TITO was launched using: RESULT: Template: 4DUP.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 : 1844 -30659 -16.63 -96.41 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -16.63 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_4DUP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DUP-query.scw PDB file : Tito_Scwrl_4DUP.pdb: