Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAIMLDGKATRDEIFGDLKQRVAALDAAGRTPGLGTILVGDDPGSQAYVRGKHADCAKVGITSIRRDLPADISTATLNETIDELNANPDCTGYIVQLPLPKHLDENAALERVDPAKDADGLHPTNLGRLVLGTPAPLPCTPRGIVHLLRRYDISIAGAH---VVVIGRGVTVGRPLGLLLTRRSENATVTLCHTGTRDLPALTRQADIVVAAVGVAHLLTADMVRPGAAVIDVGVSRTDDGLVGDVH-PDVWELAGHVSPNPGGVGPLTRAFLLTNVVELAERR
3NGL Chain:A ((21-270))
-------------------------IERSGLEPSLKLIQIGDNEAASIYARAKIRRGKKIGI-AVDLEKYDDISMKDLLKRIDDLAKDPQINGIMIENPLPKGFDYYEIVRNIPYYKDVDALSPYNQGLIALNREFLVPATPRAVIDIMDYY-----GYHENTVTIVNRSPVVGRPLSMMLLNR--NYTVSVCHSKTKDIGSMTRSSKIVVVAVGRPGFLNREMVTPGSVVIDVGINYVNDKVVGDANFEDLSEYVEAITPVPGGVGPITATNILENVVKAAE--
General information:
TITO was launched using:
RESULT:
Template:
3NGL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162811 for 2003 contacts (-81.3/contact) +
2D Compatibility (PS) -26676 + (NN) -14283 + (LL) 2712
1D Compatibility (HY) -20000 + (ID) 4750
Total energy: -225808.0 ( -112.73 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_3NGL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NGL-query.scw
PDB file :
Tito_Scwrl_3NGL.pdb
: