Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKAGGEMLDKVMFEEIIHPEKWINECYKELMEKEWNNEIERCRRHTERLIKRISNSQYQFPSECPIKGRYPLRDNIGWTEGFWTGINWLLFEKTGDPLFQQTAEKADIDFIHRIDCQIITNHHDLGFLYSLSTVADYKITGNRKMKEASIDAAETLLQRFWEKAGVIQAWGDPSDPSQQGRMIMDCCMNLPLLYWASEETGNQKYKKAAQAHIQNAADYLVREDGSTYHTFYMDVKDGKPRYGSTHQGYSDNSCWARGQAWGIYGFALSYRYLKEQKYFDLSKILANYFMNRLPEDTICYWDLIFDDSSREEKDTSSMVIMVCGLLELIESGLLDKTEKNLYQSAVWKIMRQLKERYATTEEED--GFLTQSVYNKPKNNGVNTPCIWGDYYYLEALVRMTSNWSSYW----- 1VD5 Chain:A ((1-377)) ----------------------------------MWQQAIGDALGITARNLKKFGD---RFPHVSDGSNKYVLNDNTDWTDGFWSGILWLCYEYTGDEQYREGAVRTVASFRERLDRFENLDHHDIGFLYSLSAKAQWIVEKDESARKLALDAADVLMRRWRADAGIIQAWGPKGDPENGGRIIIDCLLNLPLLLWAGEQTGDPEYRRVAEAHALKSRRFLVRGDDSSYHTFYFDPENGNAIRGGTHQGNTDGSTWTRGQAWGIYGFALNSRYLGNADLLETAKRMARHFLARVPEDGVVYWDFEVPQEPSSYRDSSASAITACGLLEIASQLDESDPERQRFIDAAKTTVTALRDGYAERDDGEAEGFIRRGSYHVRGGISPDDYTIWGDYYYLEALLRLERGVTGYWYERGR

General information: TITO was launched using: RESULT: Template: 1VD5.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 : 2258 -165381 -73.24 -446.97 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -73.24 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_1VD5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VD5-query.scw PDB file : Tito_Scwrl_1VD5.pdb: