Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTFKSGFVAILGRPNVGKSTFLNHVMGQKIAIMSDKAQTTRNKIMGIYTTDKE-QIVFIDTPGIHKPKTA--LGDFMVESAYSTLREVDTVLFMVPADEARGKGDDMIIER-LKAAKVPVILVVNKIDKVHPDQ-LLSQIDDF-RNQMDFKEIVPISALQGNNVSRLVDILSENLDEGFQYFPSDQITDHPERFLVSEMVREKVLHLTREEIPHSVAVVVDSMKR-DEETDKVHIRATIMVERDSQKGIIIGKGGAMLKKIGSMARRDIELMLGDKVFLETWVKVKKNWRDKKLDLADFGYNEREY 3IEV Chain:A ((8-306)) --MKVGYVAIVGKPNVGKSTLLNNLLGTKVSIISPKAGTTRMRVLGVKNIPNEAQIIFLDTPGIYEPKKSDVLGHSMVEIAKQSLEEADVILFMIDATEGWRPRDEEIYQNFIKPLNKPVIVVINKIDKIGPAKNVLPLIDEIHKKHPELTEIVPISALKGANLDELVKTILKYLPEGEPLFPEDMITDLPLRLLAAEIVREKAMMLTREEVPTSIAVKINEIKPGDANPNMLVIKGEIIVDRENLKPIIIGKKGQRLKEIGKRARQELELILGRPVYLELWVKVVPDWRRRPEYVRLFGY-----

General information: TITO was launched using: RESULT: Template: 3IEV.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 : 1493 26348 17.65 90.23 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : 17.65 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.609

(partial model without unconserved sides chains): PDB file : Tito_3IEV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IEV-query.scw PDB file : Tito_Scwrl_3IEV.pdb: