Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILVLHTGGTIAMKENMLTGGVSPDVANPLLDAEITIPKHVELLVEDIFNLPSPHIMPSHMLVLKERILSAYASGISGVVITHGTDTLEETAFFLDTTIGNKLPIVLTGAMRSSNELGSDGLYNFESAIRVASCEEALDKGVLVVMNDEIHSARYVTKTHTTNVATFRTPTLGPIGLVTKNRILF----LQELLETKRLDISAVDG--TIPIVKAYAGMQGDLLEAIAHTKVDGLVIEALGAGNLPPQALAALEKLLVQKIPVVLVSRCFNGIAEPVYDYEGGGKELEKMGIIFCNSINSQKARLKLLIAVNYGLSGEELISFIQN 3ECA Chain:B ((51-310)) -----------------------------------------------EQVVNIGSQDMNDNVWLTLAKKI-NTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKSVFDTLATAAKTGTAVVRSSRVPTGATT-----QDAEVDDAKYGFVASGTLNPQKARVLLQLAL---------------

General information: TITO was launched using: RESULT: Template: 3ECA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1389 -66439 -47.83 -261.57 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -47.83 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_3ECA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ECA-query.scw PDB file : Tito_Scwrl_3ECA.pdb: