Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHKVGILGGTFDPPHLAHLHMAEEAKKQLELEKILFLPNKIPPHKHISGMASINERVEMLQLMIEGIDSFEIDTRELMRTGKSYTYDTMRDMIIEQ-PDTDFYFIIGGDMVEYLPKWYHIDDLVKMVTFVGVNRPLYQPE-------V-------------P-Y-DVVKIDMPKTTISSTEIRNDIEHA---EAFLPEKVWSYIKEHQLYGKK
1YUM Chain:A ((22-232))
-GKRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRETP-QVSAAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVWQTPLAVSATQIRALLGAGRSVRFLVPDAVLNYIEAHHLYRA-
General information:
TITO was launched using:
RESULT:
Template:
1YUM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123187 for 1407 contacts (-87.6/contact) +
2D Compatibility (PS) -20135 + (NN) -8272 + (LL) 100
1D Compatibility (HY) -12800 + (ID) 2850
Total energy: -167144.0 ( -118.79 by residue)
QMean score : 0.498
(partial model without unconserved sides chains):
PDB file :
Tito_1YUM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YUM-query.scw
PDB file :
Tito_Scwrl_1YUM.pdb
: