Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDMFQKVEKIGEGTYGVVYKAKNRETGQLVALKKIRLDLEMEGVPSTAIREISLLKELKHPNIVRLLDVVHNERKLYLVFEFLSQDLKKYMDSTPGSELPLHLIKSYLFQLLQGVSFCHSHRVIHRDLKPQNLLINELGAIKLADFGLARAFGVPLRTYTHEVVTLWYRAPEILLGSKFYTTAVDIWSIGCIFAEMVTRKALFPGDSEIDQLFRIFRMLGTPSEDTWPGVTQLPDYKGSFPKWTRKGLEEIVPNLEPEGRDLLMQLLQYDPSQRITAKTALAHPYFSS-PEPSPAARQYVLQRFRH
2VU3 Chain:A ((1-297))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRL---------TAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFG----FGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL--------
General information:
TITO was launched using:
RESULT:
Template:
2VU3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171010 for 2198 contacts (-77.8/contact) +
2D Compatibility (PS) -29658 + (NN) -10055 + (LL) 1964
1D Compatibility (HY) -40400 + (ID) 10800
Total energy: -259959.0 ( -118.27 by residue)
QMean score : 0.497
(partial model without unconserved sides chains):
PDB file :
Tito_2VU3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VU3-query.scw
PDB file :
Tito_Scwrl_2VU3.pdb
: