Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAVCESIDASLDARDRPLLSVRGLTRLYGPEKGCQEVDFDLYPGEVLGIVGESGSGKSTLLSLLSGRCPPDAGTVAYRDDGDRWLDLYAASEAERRTLLRTEWGFVEQNPRDGLRMGVSAGANIGERLMAQGVRHYGRLRQAGLDWLEQVEIDPLRIDDLPRTFSGGMQQRLQIARNLVSAPRLVFMDEPTGGLDVSVQARLLDLLRGLVRELDLAVVIVTHDLAVARLLADRLMVMRRSRVVEAGLTDQILDDPQHPYTQLLVSSVLQP
2IT1 Chain:A ((2-236))
-----------------VEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKD-----VTELP------PKDRNVGLVFQNW--ALYPHMTVYKNIAFPLELRKAPR-EEIDKKVREVAKMLHIDK-LLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGN----
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155465 for 1939 contacts (-80.2/contact) +
2D Compatibility (PS) -26316 + (NN) -18475 + (LL) 2732
1D Compatibility (HY) -15200 + (ID) 3150
Total energy: -215874.0 ( -111.33 by residue)
QMean score : 0.498
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: