Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSLLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPAMTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP
4AU8 Chain:A ((6-293))
-QKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRV---------PSSALREICLLKELKHKNIVRLHDVLH---KLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVR--SAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDF---
General information:
TITO was launched using:
RESULT:
Template:
4AU8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -156545 for 2243 contacts (-69.8/contact) +
2D Compatibility (PS) -28943 + (NN) -14063 + (LL) 188
1D Compatibility (HY) -41200 + (ID) 13600
Total energy: -254163.0 ( -113.31 by residue)
QMean score : 0.516
(partial model without unconserved sides chains):
PDB file :
Tito_4AU8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AU8-query.scw
PDB file :
Tito_Scwrl_4AU8.pdb
: