Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASEREQISRKVALIALIANLILMAG--KVFFGLVGDSEAVFADGIHSAADVVASIAVLAVIGISNKPPDQDHPFGHGKAEVISEAIVGIILVIVSVYILIEAILSFVKGPSVPQYSALFAALISYVAKEILYRYSIKQGKKWNSKAIIAIAYDHKGDIVASLAAFIGVLLAIIGNSRGWSYLLYADAIASAIVAYLIFKISMELIRPSVDVLMEKSVDPEL---IEEYKAVIFQCDQVKRIDRIRAREHGHYKLLDVRLSLDHDLTIKQGHDIAREIRNEIKRQFSDVEEVLIHVNPYFEE 1XNG Chain:B ((3-264)) ----KDYQKLIVYLCDFLEKEVQKRGFKKVVYGLSGGLDSAVVGVLCQKVFKENAHALLM-------PSSVSMPENKTDALNLCEKF-SIPYTEYSIAPYDAIFSSHFKDAS----LTRKGNFCARLRMAFLYDYSLKSDS-------LVIGTSNKSERMLGYGTLFGDLACAINPIGELF-----KTEVYELARRLNIPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIDTETLAQLGYDEILVKNITSRIQK----------NAFKLELPAIAKRFNPELEHH--

General information: TITO was launched using: RESULT: Template: 1XNG.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 : 1176 -128160 -108.98 -498.68 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -108.98 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.292

(partial model without unconserved sides chains): PDB file : Tito_1XNG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XNG-query.scw PDB file : Tito_Scwrl_1XNG.pdb: