Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPELPEVETVRKGLERLVVGKTIQKVQVLWPKII----EQPETPIFEASLVGETIQSIGRRGKFLIFHL-DHCELISHLRMEGKYQFTKENTPIDKHTHVLFFFEDGSQLRYNDVRKFGRMTIVEKGASATYRGIMKLGPEPLPDSFLLADFANGLKKSHKAIKPLLLDQRLVTGLGNIYVDEALWEAKIHPEQPANTLRPKEVEQLRLSIIDVLDRAIEAGGTTIRSYLNALGESGGFQVALHVYQQTGKPCIRCGTPIVKTKVAQRGTHYCPNCQRLKIAK 1NNJ Chain:A ((2-270)) --ELPEVETVRRELEKRIVGQKIISIEATYPRMVLTGFEQ-----LKKELTGKTIQGISRRGKYLIFEIGDDFRLISHLRMEGKYRLATLDAPREKHDHLTMKFADG-QLIYADVRKFGTWELISTDQVLPYFLKKKIGPEPTYEDFDEKLFREKLRKSTKKIKPYLLEQTLVAGLGNIYVDEVLWLAKIHPEKETNQLIESSIHLLHDSIIEILQKAIKLGGSSI-----ALGSTGKMQNELQVYGKTGEKCSRCGAEIQKIKVAGRGTHFCPVCQQ-----

General information: TITO was launched using: RESULT: Template: 1NNJ.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 : 1341 34351 25.62 132.12 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 25.62 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_1NNJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NNJ-query.scw PDB file : Tito_Scwrl_1NNJ.pdb: