Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIIIDGKKIASGLCEKLSQRIDVLKREHSIFPCLKVIFVGNNPASQVYVRNKQKKAESIGISSETIVLPDNILENELIEKINELNNDRFVNGILVQLPLPNHINASKVINTVSVEKDVDAFHRENVGKLVKGEKNCLVPCTPKGALHLIKLVETNLSGKNAV-VIGRSNIVGKPMFHLLLQENCTVTILHSQSKDLAEYCSKADVVVTAVGKPNFVQEGWIKEGAIVIDVGINSVSIEGKTKLIGDVDFDRVKEKTKAITPVPGGVGPMTIAFLMINTVIAACLQKKVDASDFVS
3NGL Chain:A ((3-273))
---ILRGEEIAEKKAENLHGIIE----RSGLEPSLKLIQIGDNEAASIYARAKIRRGKKIGIAVD-LEKYDDISMKDLLKRIDDLAKDPQINGIMIENPLPKGFDYYEIVRNIPYYKDVDALSPYNQG-LIALNREFLVPATPRAVIDIMDYYGYH---ENTVTIVNRSPVVGRPLSMMLLNRNYTVSVCHSKTKDIGSMTRSSKIVVVAVGRPGFLNREMVTPGSVVIDVGINYVN----DKVVGDANFEDLSEYVEAITPVPGGVGPITATNILENVVKAAEFQKNNL------
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) -201076 for 2281 contacts (-88.2/contact) +
2D Compatibility (PS) -29563 + (NN) -14504 + (LL) 1508
1D Compatibility (HY) -24800 + (ID) 5000
Total energy: -273435.0 ( -119.88 by residue)
QMean score : 0.550
(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
: