Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAQLIDGKAIAANLRQQIAQRVTER-----RQQGLRVPGLAVILVGTDPASQVYVAHKRKDCEEVGFLS--QAYDLPAETSQDDLLALIDRLNDDPAIDGILVQLPLPAHLDASLLLERIHPDKDVDGFHPYNIGRLAQRMPLLRPCTPKGIMTLLASTGADLYGM---DAVVVGASNIVGRPMALELLLGGCTVTVTHRFTRDLADHVSRADLVVVAAGKPGLVKGEWIKEGAIVIDVGINRQADGRLVGDVEYEVAAQRASWITPVPGGVGPMTRACLLENTLHAAEHLHD
3NGL Chain:A ((7-271))
----------------EEIAEKKAENLHGIIERSGLE-PSLKLIQIGDNEAASIYARAKIRRGKKIGIAVDLEKYD---DISMKDLLKRIDDLAKDPQINGIMIENPLPKGFDYYEIVRNIPYYKDVDALSPYNQGLIALNREFLVPATPRAVIDIM-----DYYGYHENTVTIVNRSPVVGRPLSMMLLNRNYTVSVCHSKTKDIGSMTRSSKIVVVAVGRPGFLNREMVTPGSVVIDVGINYVND-KVVGDANFEDLSEYVEAITPVPGGVGPITATNILENVVKAAEFQKN
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) -180888 for 2090 contacts (-86.5/contact) +
2D Compatibility (PS) -28129 + (NN) -14304 + (LL) 1892
1D Compatibility (HY) -21200 + (ID) 5000
Total energy: -247629.0 ( -118.48 by residue)
QMean score : 0.560
(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
: