Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAERGRLLLTVVGELLAAEVCAAGTRIRGPDERARRERQRALRIRTALERLGPLYVKAGQVLSTREDLVPPAVARELESLHDRAAPCPFDRMSAVLEAELGPDWRRRFRHFDTE-RPLGCASIAQAYAAVLDDGRSVVVKVQRPGIAAQMTTDMRLLRGMTRTLARRTPVLSETIDFEAMLAVIFEAVRNELDLTLEAANMDEARAAVTAVPGID--VPGVVHATERVLIQRRAPGTSVRDADPAAFDDAERERVGTGLLTVMYQGYFIDHRFHADPHPGNVFVCPGGPTTLIDWGMIGRLDRHLSSTLLMTLLGLANNDAHAVARAWSEMGRPTPWADIGAFEQDMSVVVPRLASIPL-DRLRFGASLATLLRLSTRRGIRTNPMIGLLGKSFANMEGTVRHLAPHLSATDVLVRQTGRVLGEYAAQSLSQQQLGFTALQLLSGLETLLPHARAVGRSLSGGDLTLQHTAVTRPFSLVDHRSSARIRRAEHHLLGAAALVWLLRRRGRG 5HC3 Chain:A ((22-365)) -----------------------MTNKIA-EDPRID------PRIKAIFSGMD---LGGGGDVESREAMLEAASSEEATAVRDGLR----VFLDACDNEEIAPSAGLKIEDYEFTSEPDGNIAKIQYIRPDSTDKLPCVYYIHGGGMQ-SLSCYYGNYRAWGKIIASNGV---------AVAMVEFRNALVPSALPEVAPYPAGLNDCVSGVKWVAAHADELGIDASRIIIAGESGGGNLTLAAGLRLKQEGSQDLIQGLYALC-------------PYIAGSWPSEDSPSSTENNGIL--LDLH------------NNQGAMGYGIEAYEMRDPLAWPGF-ATEEDVSGLVPTFISVNECDPLRDEG--INFYRLLLRAGVSAKCRQVM---------GTIHGTEIFPIACPDVSRDTAASIANFCK----------------------------------GG-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 5HC3.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 : 2092 -41287 -19.74 -121.43 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -19.74 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.222

(partial model without unconserved sides chains): PDB file : Tito_5HC3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5hc3-query.scw PDB file : Tito_Scwrl_5HC3.pdb: