Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAIMLDGKATRDEIFGDLKQRVAALDAAGRTPGLGTILVGDDPGSQAYVRGKHADCAKVGITSIRRDLPADISTATLNETIDELNANPDCTGYIVQLPLPKHLDENAALERVDPAKDADGLHPTNLGRLVLGTPAPLPCTPRGIVHLLRRYDISIAGAH---VVVIGRGVTVGRPLGLLLTRRSENATVTLCHTGTRDLPALTRQADIVVAAVGVAHLLTADMVRPGAAVIDVGVSRTDDGLVGDVH-PDVWELAGHVSPNPGGVGPLTRAFLLTNVVELAERR
3NGL Chain:C ((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) -162242 for 1998 contacts (-81.2/contact) +
2D Compatibility (PS) -26616 + (NN) -13115 + (LL) 2712
1D Compatibility (HY) -20000 + (ID) 4750
Total energy: -224011.0 ( -112.12 by residue)
QMean score : 0.483
(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
: