Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEMVLAFLGFLACLIALGYGLYHLVRYVLKKEKRFSKRLFWPLFIGGLVLLFTGAALAEPDTAAANAEKKYSALNAEYKNLTKEHEELEKEYKSVSSEAKKLKDNKEDQDKLEKLKNENSDLKKTQKSLKAEIKELQENQKQLKEDAKTAKAENETLRQDKTKLENQLKETESQTASSHEDTGSSSNNTSKSDETKTADKAEGCNIKGSRNGIYHTPGSTYYDRTTDPAEMFCSVEEAEAAGYRAPKR 2JEE Chain:A ((3-80)) --------------------------------------------------------------------------------------------MSLEVFEKLEAKVQQAIDTITLLQMEIEELKEKNNSLSQEVQNAQHQREELERENNHLKEQQNGWQERLQALLGRMEE------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JEE.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 : 15 889 59.23 11.39 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 59.23 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.835

(partial model without unconserved sides chains): PDB file : Tito_2JEE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JEE-query.scw PDB file : Tito_Scwrl_2JEE.pdb: