Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILVLHTGGTIAMKENMLTGGVSPDVANPLLDAEITIPKHVELLVEDIFNLPSPHIMPSHMLVLKERILSAYASGISGVVITHGTDTLEETAFFLDTTIGNKLPIVLTGAMRSSNELGSDGLYNFESAIRVASCEEALDKGVLVVMNDEIHSARYVTKTHTTNVATFRTPTLGPIGLVTKNRILF----LQELLETKRLDISAVDG--TIPIVKAYAGMQGDLLEAIAHTKVDGLVIEALGAGNLPPQALAALEKLLVQKIPVVLVSRCFNGIAEPVYDYEGGGKELEKMGIIFCNSINSQKARLKLLIAVNYGLSGEELISFIQN 1NNS Chain:A ((51-310)) -----------------------------------------------EQVVNIGSQDMNDNVWLTLAKKI-NTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKSVFDTLATAAKTGTAVVRSSRVPTGATT-----QDAEVDDAKYGFVASGTLNPQKARVLLQLAL---------------

General information: TITO was launched using: RESULT: Template: 1NNS.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 : 1338 -64596 -48.28 -254.31 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -48.28 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_1NNS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NNS-query.scw PDB file : Tito_Scwrl_1NNS.pdb: