Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSITLLQPDDWHAHLRD-GLALKRTVPD-----LAKQFARAICMPNLVPPV--KTVEEALAYRERILAH---VPEGNNFDPRMVLYFTDHTSPDEVRKIKESEHVNAIKLYPAGATTNSNNGVSDIRKVYAVIEQLEEHQVPL--------LLHGEVTHNHVDIF------DREKRFLDEVLSPLLKQFPKLKVVLEHITTS---DAAHFVLEQDRNVAATITPQHLLFNRNDMLVGGIKPYFYCLPILKRQTHQTTLLEVATSGNPKFFLGTDSAPHAQNAKE----NACGCAGCYSA-PNAIELYAQAFDQVGKLERLEGFASHFGADFYGLPRNTSTITLVKEDNLVPESFDYLDNQKIIPLHAGKTLQWRKV 4BJH Chain:A ((93-382)) ----------DIHVHLRDPGQTYKEDIESGSRCAVAGGFTTIVCMPNTNPPIDNTTVVNYILQKSKSVGLCRVLPTG---------------TITKGRKGKEIADFYSLKEAGCVAFTDDGSPVMDSSVMRKALELASQLGVPIMDACEDDKLAYGVINEGEVSALLGLSSRAPEAEEIQIARDGILAQRTGGHVHIQAVSTKLSLEIIEFFKEKGVKITCEVNPNHLLFTEREVLNSGANARVN--PPLRKKEDRLALIEGVKRGIIDCF-ATDHAPHQTFEKELVEFAMPGIIGLQTALPSALELYRKGIISLKKL-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BJH.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 : 1482 48361 32.63 188.17 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 32.63 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.268

(partial model without unconserved sides chains): PDB file : Tito_4BJH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BJH-query.scw PDB file : Tito_Scwrl_4BJH.pdb: