Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAINIIEYNRSYKEELIEFILSIQKNEFNIKIDRDDQPDLENIEHNYLNSGGQFWLAINNHQNIVGTIGLIRLDNNMSALKKMFVDKGYRNLK--IGKKLLDKVIMTCKEQNIDGIYLGTIDKFISAQYFYSNNGFREIKRGDLPSSFPKLDVDNRFYYRNLKD
2Q7B Chain:A ((21-180))
-EIKEYENNPYHLAQLVDLINYCQNIEAKLDIKMAEQDDIFQIENYYQNRKGQFWIALEN-EKVVGSIALLRIDDKTAVLKKFFTYPKYRGNPVRLGRKLFERFMLFARASKFTRIVLDTPEKEKRSHFFYENQGFKQITRDELDVDYIFPDRDSRIYVKLL--
General information:
TITO was launched using:
RESULT:
Template:
2Q7B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -78068 for 1139 contacts (-68.5/contact) +
2D Compatibility (PS) -16733 + (NN) -7867 + (LL) 240
1D Compatibility (HY) -12800 + (ID) 2600
Total energy: -117828.0 ( -103.45 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_2Q7B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Q7B-query.scw
PDB file :
Tito_Scwrl_2Q7B.pdb
: