Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKQVVVMDEAAIKRALTRVSYEIIERNKGTKNLALVGIKTRGIYLAERLHKRILEIEGIDVPVGDIDITLYRDDLSFKDDKTREPAVHGTNIPFDINGKKVVLVDDVLYTGRTVRAAMDALMDVGRPAQIHLAVLADRGHRELPIRADYVGKNIPTSGNERVEVRLTDVDHAEDAVIINKNE
4P81 Chain:D ((3-180))
-QEKAVVLDEQAIRRALTRIAHEIIERNKGVDNCVLVGIKTRGIYLAKRLAERIEQIEGKKVPVGELDITLYRD--------------KGTDIPVDITDKKVILVDDVLYTGRTVRAAMDALMDLGRPSQIQLAVLVDRGHRELPIRADYVGKNVPTSKSERIVVQLSEVDGQDRVSIYEK--
General information:
TITO was launched using:
RESULT:
Template:
4P81.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105006 for 1339 contacts (-78.4/contact) +
2D Compatibility (PS) -18378 + (NN) -6297 + (LL) 864
1D Compatibility (HY) -19600 + (ID) 5900
Total energy: -154317.0 ( -115.25 by residue)
QMean score : 0.581
(partial model without unconserved sides chains):
PDB file :
Tito_4P81.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P81-query.scw
PDB file :
Tito_Scwrl_4P81.pdb
: