Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASEEKFTRQTLLDVQPLTPNLFTLRTSRDAGFRFRAGQFARLGVYKPSGSIVWRAYSMVSAPHDEFLDFFSIVVPDGEFTSELSRLREGDQLLVDR-QAFGFLTLDRFVDGRDLWLLATGTGVAPFVSILQDFEVWERFESIKLVYSVRESKELAYRELIAGLAEREYLAEHA-------HKLQFIPVVTREQVPGCLNGRITTLIENGDLERAAD-LELTPEHSRVMLCGNPQMIEDTRAVLKARGMNLSLTRRPGQVAVENYW
2BGI Chain:A ((16-267))
-------PDAQTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKPVGTLVIDAL-LPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQE-----DPLIGELVEGKLKYYPTTTREE--FHHMGRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGLREGANSEPREFVVEKAF
General information:
TITO was launched using:
RESULT:
Template:
2BGI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155155 for 2049 contacts (-75.7/contact) +
2D Compatibility (PS) -26859 + (NN) -13050 + (LL) 1452
1D Compatibility (HY) -15600 + (ID) 3950
Total energy: -213162.0 ( -104.03 by residue)
QMean score : 0.575
(partial model without unconserved sides chains):
PDB file :
Tito_2BGI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BGI-query.scw
PDB file :
Tito_Scwrl_2BGI.pdb
: