Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEVKTFYNGNTMPQIGLGTFRVENDENCMESVKYAIEQGYRSIDTAKVYGNEEQVGAGIRAGLESTGIAREDLFITSKLYFEDFGRENVAAAYEASLSRLGLKYLDLYLVHWPGTNEAVMVDTWKGMEDLYKNNKAKNIGVSNFEPEHLEALLAQVSIKPVINQVEYHPYLTQHKLKLYLAAQHIVMESWSPLMNAQ--ILNDETIKDIAQELGKSPAQVVLRWNVQHGVVIIPKSVTPNRISENFQIFDFELSDEQMTRIDGLNQDKRIGPDPKTFEG
1A80 Chain:A ((9-261))
-------DGNSIPQLGYGVFKVPP-ADTQRAVEEALEVGYRHIDTAAIYGNEE----GVGAAIAASGIARDDLFITTKLWNDRHDGDEPAAAIAESLAKLALDQVDLYLVHWPTPAADNYVHAWEKMIELRAAGLTRSIGVSNHLVPHLERIVAATGVVPAVNQIELHPAYQQREITDWAAAHDVKIESWGPLGQGKYDLFGAEPVTAAAAAHGKTPAQAVLRWHLQKGFVVFPKSVRRERLEENLDVFDFDLTDTEIAAIDAMD--------------
General information:
TITO was launched using:
RESULT:
Template:
1A80.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105312 for 2140 contacts (-49.2/contact) +
2D Compatibility (PS) -27178 + (NN) -12708 + (LL) 1116
1D Compatibility (HY) -20400 + (ID) 5300
Total energy: -169782.0 ( -79.34 by residue)
QMean score : 0.468
(partial model without unconserved sides chains):
PDB file :
Tito_1A80.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A80-query.scw
PDB file :
Tito_Scwrl_1A80.pdb
: