Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAINIIEYNRSYKEELIEFILSIQKNEFNIKIDRDDQPDLENIEHNYLNSGGQFWLAINNHQNIVGTIGLIRLDNNMSALKKMFVDKGYRNLKIGKKLLDKVIMTCKEQNIDGIYLGTIDKFISAQYFYSNNGFREIKRGDLPSSFPKLDVDNRFYYRNLKD
2KCW Chain:A ((1-147))
MVISIRRSRHEEGEELVAIWCRSVDATHDFLSAEYRTELEDLVRSFLPEA--PLWVAVNERDQPVGFMLLSG-----QHMDALFIDPDVRGCGVGRVLVEHALSMAPEL-----TTNVNEQNEQAVGFYKKVGFKVTGRSEVDDLGKPYPLLNLAYVGA---
General information:
TITO was launched using:
RESULT:
Template:
2KCW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56303 for 1115 contacts (-50.5/contact) +
2D Compatibility (PS) -15484 + (NN) -3754 + (LL) 48
1D Compatibility (HY) -5600 + (ID) 1300
Total energy: -82393.0 ( -73.90 by residue)
QMean score : 0.340
(partial model without unconserved sides chains):
PDB file :
Tito_2KCW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KCW-query.scw
PDB file :
Tito_Scwrl_2KCW.pdb
: