Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVL-KEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDR---TWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
3HDM Chain:A ((33-256))
-----------------------------------------PHAKPSDFHFLKVIGKGSFGKVLLARHKAEEVFYAVKVLQKKAIL-------------VLLKNVKHPFLVGLHFSFQTADKLYFVLDYINGGELFYHLQRERCFLEPRARFYAAEIASALGYLHSLNIVYRDLKPENILLDSQGHIVLTDFGLCKENIEHNSTTSTFCGTPEYLAPEVLHKQPYDRTVDWWCLGAVLYEMLYGLPPFYSRNTAEMYDNILNKPLQLKPNITNSARHLLEG
General information:
TITO was launched using:
RESULT:
Template:
3HDM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133071 for 1468 contacts (-90.6/contact) +
2D Compatibility (PS) -21787 + (NN) -4870 + (LL) 3104
1D Compatibility (HY) -23600 + (ID) 4900
Total energy: -185124.0 ( -126.11 by residue)
QMean score : 0.357
(partial model without unconserved sides chains):
PDB file :
Tito_3HDM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HDM-query.scw
PDB file :
Tito_Scwrl_3HDM.pdb
: