Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAPGPAQAAAAESNSREVTEDAADWAPALCPSPEARSPEAPAYRLQDCDALVTMGTGTFGRVHLVKEKTAKH---FFALKVMSIPDVIRR-KQEQHVHNEKSVLKEVSHPFLIRLFWTWHEERFLYMLMEYVPGGELFSYLRNRGHFSSTTGLFYSAEIICAIEYLHSKEIVYRDLKPENILLDRDGHIKLTDFGFAKKLVDRTWTLCGTPEYLAPEVIQSKGHGRAVDWWALGILIFEMLSGFPPFFDDNPFGIYQKILAGKLYFPRHLDFHVKTGRMM
4L45 Chain:A ((10-245))
------------------------------------RGPEK--IRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKES--------GTIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKCKLNLPPYLTQEARDLLKK
General information:
TITO was launched using:
RESULT:
Template:
4L45.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138224 for 1613 contacts (-85.7/contact) +
2D Compatibility (PS) -23398 + (NN) -10134 + (LL) 2688
1D Compatibility (HY) -22800 + (ID) 5000
Total energy: -196868.0 ( -122.05 by residue)
QMean score : 0.371
(partial model without unconserved sides chains):
PDB file :
Tito_4L45.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4L45-query.scw
PDB file :
Tito_Scwrl_4L45.pdb
: