Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDMFQKVEKIGEGTYGVVYKAKNRETGQLVALKKIRLDLEMEGVPSTAIREISLLKELKHPNIVRLLDVVHNERKLYLVFEFLSQDLKKYMDSTPGSELPLHLIKSYLFQLLQGVSFCHSHRVIHRDLKPQNLLINELGAIKLADFGLARAFGVPLRTYTHEVVTLWYRAPEILLGSKFYTTAVDIWSIGCIFAEMVTRKALFPGDSEIDQLFRIFRMLGTPSEDTWPGVTQLPDYKGSFPKWTRKGLEEIVPNLEPEGRDLLMQLLQYDPSQRITAKTALAHPYFSS-PEPSPAARQYVLQRFRH
5A14 Chain:A ((2-297))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLD--TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFG----------VTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHL----------
General information:
TITO was launched using:
RESULT:
Template:
5A14.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169911 for 2153 contacts (-78.9/contact) +
2D Compatibility (PS) -29577 + (NN) -10918 + (LL) 2320
1D Compatibility (HY) -39200 + (ID) 10800
Total energy: -258086.0 ( -119.87 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_5A14.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5A14-query.scw
PDB file :
Tito_Scwrl_5A14.pdb
: