Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMSADTQHFTGTDQYIATDSLKLAVKAARALQKPLLVKGEPGTGKTLLAEQVAESLGLKLITWHIKSTTKAQQGLYEYDAVSRLRDSQLGDDRVYDIKNYIKPGKLWEAFTSEERCVLLIDEID----KADIEFPND--------LLHELDKMSFYVYETGETITATQRPIVIITSNNEKELPD-AFLRRCFFH---YIEFPDEATMREIISVHFPNISVTLVNEALQVFFKLREIPNLKKPPSTSELIDWLSLLMADDMPEDVLRNRDTSKAIPPLYGALIKNEQDVQLLERLAFMSRR
2R62 Chain:A ((204-386))-------------------------------KGVLLVGPPGTGKTLLAKAVAGEAHVPFFSMGGSSFIEMFVGL----GASRVRD-------------------LFETAKKQAPSIIFIDEIDAIGK-------NDEREQTLNQLLAEMDGFG-----------SENAPVIVLAATNRPEILDPALMRPGRFDRQVLVDKPDFNGRVEILKVHIK--GVKLAND-----VNLQEVAKLTAGLAGADLANIIN-----------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2R62.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 : 585 -34533 -59.03 -219.96
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain A : 0.69

3D Compatibility (PKB) : -59.03
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.69
QMean score : 0.421

(partial model without unconserved sides chains):
PDB file : Tito_2R62.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2R62-query.scw
PDB file : Tito_Scwrl_2R62.pdb: