Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASEEKFTRQTLLDVQPLTPNLFTLRTSRDAGFRFRAGQFARLGVYKPSGSIVWRAYSMVSAPHDEFLDFFSIVVPDGEFTSELSRLREGDQLLVDRQAFGFLTLDRFVDGRDLWLLATGTGVAPFVSILQDFEVWERFESIKLVYSVRESKELAY-RELIAGLAEREYLAEHAH-KLQFIPVVTREQVPGCLNGRITTLIENGDL-ERAADLELTPEHSRVMLCGNPQMIEDTRAVLKARGMNLSLTRRPGQVAVENYW
2VNK Chain:B ((19-265))
----------QTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKPVGTLVIDALLPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQEDPLIGELVEGKLKYYPTTTREEFHHM--GRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGLREGANSEPREFVVEK--
General information:
TITO was launched using:
RESULT:
Template:
2VNK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -176015 for 2008 contacts (-87.7/contact) +
2D Compatibility (PS) -26347 + (NN) -10452 + (LL) 1276
1D Compatibility (HY) -21200 + (ID) 4400
Total energy: -237138.0 ( -118.10 by residue)
QMean score : 0.582
(partial model without unconserved sides chains):
PDB file :
Tito_2VNK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VNK-query.scw
PDB file :
Tito_Scwrl_2VNK.pdb
: