Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKHFFALKVMSIPDVIRRKQEQHVHNEKSVL-KEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDR---TWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
3HDN Chain:A ((33-256))
-----------------------------------------PHAKPSDFHFLKVIGKGSFGKVLLARHKAEEVFYAVKVLQKKAIL-------------VLLKNVKHPFLVGLHFSFQTADKLYFVLDYINGGELFYHLQRERCFLEPRARFYAAEIASALGYLHSLNIVYRDLKPENILLDSQGHIVLTDFGLCKENIEHNSTTSTFCGTPEYLAPEVLHKQPYDRTVDWWCLGAVLYEMLYGLPPFYSRNTAEMYDNILNKPLQLKPNITNSARHLLEG
General information:
TITO was launched using:
RESULT:
Template:
3HDN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137745 for 1461 contacts (-94.3/contact) +
2D Compatibility (PS) -21462 + (NN) -3338 + (LL) 3104
1D Compatibility (HY) -23600 + (ID) 4900
Total energy: -187941.0 ( -128.64 by residue)
QMean score : 0.349
(partial model without unconserved sides chains):
PDB file :
Tito_3HDN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HDN-query.scw
PDB file :
Tito_Scwrl_3HDN.pdb
: