Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGDKIAVIPGTFDPITNGHLDIIERAAKIFDVLYVSVLNNSSKKPLFTIEERMEMIRQVTAHLPNVQVESASGLTVDYAATRGATAIVRGLRAVSDFEYEMQIASMNRTLNADIETFFVMTNTKYSFLSSSMVKEVAQYQGDISELVPEIVNKAVQAKFK
3PNB Chain:D ((24-176))
-----AVCPGSFDPVTLGHVDIFERAAAQFDEVVVAILVNPAKTGMFDLDERIAMVKESTTHLPNLRVQVGHGLVVDFVRSCGMTAIVKGLRTGTDFEYELQMAQMNKHI-AGVDTFFVATAPRYSFVSSSLAKEVAMLGGDVSELLPEPVNRRLRDRL-
General information:
TITO was launched using:
RESULT:
Template:
3PNB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106570 for 1195 contacts (-89.2/contact) +
2D Compatibility (PS) -16757 + (NN) -9362 + (LL) 212
1D Compatibility (HY) -17200 + (ID) 3900
Total energy: -153577.0 ( -128.52 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_3PNB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PNB-query.scw
PDB file :
Tito_Scwrl_3PNB.pdb
: