Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAVCESIDASLDARDRPLLSVRGLTRLYGPEKGCQEVDFDLYPGEVLGIVGESGSGKSTLLSLLSGRCPPDAGTVAYRDDG-DRWLDLYAASEAERRTLLRTEWGFVEQNPRDGLRMGVSAGANIGERLMAQGVRHYG--RLRQAGLDWLEQVEIDPLRIDDLPRTFSGGMQQRLQIARNLVS------APRLVFMDEPTGGLDVSVQARLLDLLRGLVRELDLAVVIVTHDLAVARLLADRLMVMRRSRVVEAGLTDQILDDPQHPYTQLLVSSVLQP
4G1U Chain:C ((29-237))
------------------------------------DVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSW---------QPKALARTR-AVMRQYSELAFPFSVS-------EVIQMGRAPYGGSQDRQALQQVMAQTDCLALAQRDY-RVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLN-----------------
General information:
TITO was launched using:
RESULT:
Template:
4G1U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127758 for 1515 contacts (-84.3/contact) +
2D Compatibility (PS) -22255 + (NN) -17042 + (LL) 3940
1D Compatibility (HY) -18400 + (ID) 3800
Total energy: -185315.0 ( -122.32 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_4G1U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G1U-query.scw
PDB file :
Tito_Scwrl_4G1U.pdb
: