Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDMFQKVEKIGEGTYGVVYKAKNRETGQLVALKKIRLDLEMEGVPSTAIREISLLKELKHPNIVRLLDVVHNERKLYLVFEFLSQDLKKYMDSTPGSELPLHLIKSYLFQLLQGVSFCHSHRVIHRDLKPQNLLINELGAIKLADFGLARAFGVPLRTYTHEVVTLWYRAPEILLGSKFYTTAVDIWSIGCIFAEMVTRKALFPGDSEIDQLFRIFRMLGTPSEDTWPGVTQLPDYKGSFPKWTRKGLEEIVPNLEPEGRDLLMQLLQYDPSQRITAKTALAHPYFSS-PEPSPAARQYVLQRFRH
2XNB Chain:A ((1-297))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLD--TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL--------
General information:
TITO was launched using:
RESULT:
Template:
2XNB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -197168 for 2379 contacts (-82.9/contact) +
2D Compatibility (PS) -30896 + (NN) -11040 + (LL) 1312
1D Compatibility (HY) -40800 + (ID) 11300
Total energy: -289892.0 ( -121.85 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_2XNB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XNB-query.scw
PDB file :
Tito_Scwrl_2XNB.pdb
: