Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKDYQKLIVYLCDFLEKEVQKKGFKKVVYGLSGGLDSAVVGVL-CQKVFKENAHALLMPSSVSMPESRTDALNLCEKFSIPYTEYSIAPYDKIFGSHFKDASLT--RKGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELAYYLN-----------IPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIHLETLIQLGYAEILVKNIISRIQKNAFKLELPTIAKRFNPE
3N05 Chain:B ((310-554))
----YSALVVGLRAY----VAKNGFRSVLIGLSGGIDSALVAAIACDALGAQNVYGVSMPSKYSSDHSKGDAAELARRTGLNFRTVSIEP---MFDAYMASLGLTGLAEENLQSRLRGTTLMAISNQEGHIVLAPGNKSELAVGYS-----SVGAYGPIKDVYKTSIFRLAEWRNRAAAERGQTPPIPEASITKP-----------------DYPVLDAILE----LYVDRDTGADAIVAAGYDRELVVKTLRMVDTAEYKRRQYPPGTKISAK
General information:
TITO was launched using:
RESULT:
Template:
3N05.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -168653 for 1651 contacts (-102.2/contact) +
2D Compatibility (PS) -22236 + (NN) -8969 + (LL) 1764
1D Compatibility (HY) -16400 + (ID) 3450
Total energy: -217944.0 ( -132.01 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_3N05.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N05-query.scw
PDB file :
Tito_Scwrl_3N05.pdb
: