Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDNEKGLLIVLSGPSGVGKGTVRKRIFEDPSTSYKYSISMTTRQMREGEVDGVDYFFKTRDAFEALIKDDQFIEYAEYVGNYY--GTPVQYVKDTMDEGHDVFLEIEVEGAKQVRKKFPDALFIFLAPPSLDHLRERLVGRGTESNEKIQSRINEARKEVEMMNLYDYVVVNDEVELAKNRIQCIVEAEHLKRERVEAKYRKMILEAKK
1S4Q Chain:A ((23-194))
-----GRVVVLSGPSAVGKSTV-VRCLRERIPNLHFSVSATTRAPRPGEVDGVDYHFIDPTRFQQLIDQGELLEWAEIHGGLHRSGTLAQPVRAAAATGVPVLIEVDLAGARAIKKTMPEAVTVFLAPPSWQDLQARLIGRGTETADVIQRRLDTARIELAAQGDFDKVVVNRRLESA-------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1S4Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67662 for 1174 contacts (-57.6/contact) +
2D Compatibility (PS) -18324 + (NN) -4611 + (LL) 3844
1D Compatibility (HY) -12800 + (ID) 3700
Total energy: -103253.0 ( -87.95 by residue)
QMean score : 0.588
(partial model without unconserved sides chains):
PDB file :
Tito_1S4Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S4Q-query.scw
PDB file :
Tito_Scwrl_1S4Q.pdb
: