Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNRLKEKYNKEIAPALMTKFNYDSVMQVPKIEKIVINMGVGDAVQNAKAIDSAVEELTFIAGQKPVVTRAKKSIAGFRLREGMPIGAKVTLRGERMYDFLDKLISVSLPRVRDFRGVSKKSFDGRGNYTLGIKEQLIFPEIDYDKVTKVRGMDIVIVTTANTDEEARELLTQVGMPFQK
5GAG Chain:F ((2-178))
-AKLHDYYKDEVVKKLMTEFNYNSVMQVPRVEKITLNMGVGEAIADKKLLDNAAADLAAISGQKPLITKARKSVAGFKIRQGYPIGCKVTLRGERMWEFFERLITIAVPRIRDFRGLSAKSFDGRGNYSMGVREQIIFPEIDYDKVDRVRGLDITITTTAKSDEEGRALLAAFDFPFR-
General information:
TITO was launched using:
RESULT:
Template:
5GAG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85437 for 1298 contacts (-65.8/contact) +
2D Compatibility (PS) -19176 + (NN) -8715 + (LL) 272
1D Compatibility (HY) -21200 + (ID) 5200
Total energy: -139456.0 ( -107.44 by residue)
QMean score : 0.606
(partial model without unconserved sides chains):
PDB file :
Tito_5GAG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5GAG-query.scw
PDB file :
Tito_Scwrl_5GAG.pdb
: