Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKNIVIKSMAALAILTSVTGINAAVVEETQQIANAEKNVTQVKDTNNFPYNGVVSFKDATGFVIGKNTIITNKHVSKDYKVGDRITAHPNGDKGNGGIYKIKSISDYPGDEDISVMNIEEQAVERGPKGFNFNENVQAFNFAKDAKVDDKIKVIGYPLPAQNSFKQFESTGTIKRIKDNILNFDAYIEPGNSGSPVLNSNNEVIGVVYGGIGKIGSEYNGAVYFTPQIKDFIQKHIEQ
2AS9 Chain:A ((2-202))
------------------------------------EKNVTQVKDTNNFPYNGVVSFKDATGFVIGKNTIITNKHVSKDYKVGDRITAHPNGDKGNGGIYKIKSISDYPGDEDISVMNIEEQAVERGPKGFNFNENVQAFNFAKDAKVDDKIKVIGYPLPAQNSFKQFESTGTIKRIKDNILNFDAYIEPGNSGSPVLNSNNEVIGVVYGGIGKIGSEYNGAVYFTPQIKDFIQKHI--
General information:
TITO was launched using:
RESULT:
Template:
2AS9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54514 for 1724 contacts (-31.6/contact) +
2D Compatibility (PS) -22536 + (NN) -14879 + (LL) 3972
1D Compatibility (HY) -25200 + (ID) 10050
Total energy: -123207.0 ( -71.47 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_2AS9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AS9-query.scw
PDB file :
Tito_Scwrl_2AS9.pdb
: