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



Input alignment information:
Query sequenceMALIRKRRLTEQQQRRIEKQHKTRQEEVDTSQDLDGLVVQHYGRQLEVQALSVPAHHPEKPQVAEGEPEPFWKPIELNSVWRCHTRTNLELLVTGDRVKWQADPNT-----GLGIITAIHPRTSLLTRPDRYHKVKPVAANISLIVIVFAPLPEPAPTLIDRYLVACADANIPALLVLNKSDLLTEN-N-PILDMLKEYENLGYEVMICHS-KGD-ISALSQRLDGETVAFVGQSGVGKSSLINVLIPDAEQ-KTNIISENSALGQHTTTSTRLINFGRNGALIDSPGIREFGLWHLDLDKIRMGFPEIEAHLGSCQFRNCTHTHEKNCGLKQAVEAGEILPRRLDSFLRLIDEIQEAQQKN
5NO2 Chain:Z ((4-309))------------------------------GEPDEGIVISRFGMHADVESAD-------------------------GDVHRCNIRRTIRSLVTGDRVVWRPGKPAAEGVNVKGIVEAVHERTSVLTRPDFYDGVKPIAANIDQIVIVSAILPELSLNIIDRYLVACETLQIEPIIVLNKIDLLDDEGMAFVNEQMDIYRNIGYRVLMVSSHTQDGLKPLEEALTGRISIFAGQSGVGKSSLLNALLGLQKEILTNDISDNSGLGQHTTTAARLYHFPHGGDVIDSPGVREFGLWHLEPEQITQGFVEFHDYLGLCKYRDCKHDTDPGCAIREAVEEGKIAETRFENYHRILESMAQVKTR-


General information:
TITO was launched using:
RESULT:

Template: 5NO2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain Z - contact count / total energy / energy per contact / energy per residue : 1373 -3208 -2.34 -10.84
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain Z : 0.80

3D Compatibility (PKB) : -2.34
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.491

(partial model without unconserved sides chains):
PDB file : Tito_5NO2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5NO2-query.scw
PDB file : Tito_Scwrl_5NO2.pdb: