Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDMFQKVEKIGEGTYGVVYKAKNRETGQLVALKKIRLDLEMEGVPSTAIREISLLKELKHPNIVRLLDVVHNERKLYLVFEFLSQDLKKYMDSTPGSELPLHLIKSYLFQLLQGVSFCHSHRVIHRDLKPQNLLINELGAIKLADFGLARAFGVPLRTYTHEVVTLWYRAPEILLGSKFYTTAVDIWSIGCIFAEMVTRKALFPGDSEIDQLFRIFRMLGTPSEDTWPGVTQLPDYKGSFPKWTRKGLEEIVPNLEPEGRDLLMQLLQYDPSQRITAKTALAHPYFSS-PEPSPAARQYVLQRFRH
4BGH Chain:A ((1-297))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKI---------PSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLA--------------VTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL--------
General information:
TITO was launched using:
RESULT:
Template:
4BGH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -184294 for 2139 contacts (-86.2/contact) +
2D Compatibility (PS) -28665 + (NN) -10151 + (LL) 2912
1D Compatibility (HY) -38400 + (ID) 10350
Total energy: -268948.0 ( -125.74 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_4BGH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BGH-query.scw
PDB file :
Tito_Scwrl_4BGH.pdb
: