Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLAKGKEMGKLEGKIALIAGASGGMGSAVAKRFVREGAYVILISRSIDNLKQLYDEIEKLDEFKEGSVKLIQLDLLDFENVKILANMIESLKLSESGALDILVACTGILGKLNLVHDCELEELQNVMNTNFTANWYLLKNLDPVLKKSNSGRVIFMTSEVTLSPSSYPYWVPYAASKAALEIMVKIYASETKHTKLCVNAVYSEGPVDSEMYKQAFPGK--------DIS-EL-ILPNKLTDKFVELASEDCS-ISGQVLPLSKSLE
2ZAT Chain:A ((10-255))
---------KPLENKVALVTASTDGIGLAIARRLAQDGAHVVVSSRKQENVDRTVATLQGE----GLSVTGTVCHVGKAEDRERLVAMAV----NLHGGVDILVSNAAVNPFFGNIIDATEEVWDKILHVNVKATVLMTKAVVPEMEKRGGGSVLIVSSVGAYHP--FPNLGPYNVSKTALLGLTKNLAVELAPRNIRVNC-LAPGLIKTNFSQVLWMDKARKEYMKESLRIRRLGNPEDCAGIVSFLCSEDASYITGETVVVGGGTA
General information:
TITO was launched using:
RESULT:
Template:
2ZAT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155976 for 2060 contacts (-75.7/contact) +
2D Compatibility (PS) -25934 + (NN) -15321 + (LL) 1468
1D Compatibility (HY) -9600 + (ID) 2950
Total energy: -208313.0 ( -101.12 by residue)
QMean score : 0.555
(partial model without unconserved sides chains):
PDB file :
Tito_2ZAT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ZAT-query.scw
PDB file :
Tito_Scwrl_2ZAT.pdb
: