Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTASEEKFTRQTLLDVQPLTPNLFTLRTSRDAGFRFRAGQFARLGVYKPSGSIVWRAYSMVSAPHDEFLDFFSIVVPDGEFTSELSRLREGDQLLVDRQAFGFLTLDRFVDGRDLWLLATGTGVAPFVSILQDFEVWERFESIKLVYSVRESKELAY-RELIAGLAEREYLAEHAH-KLQFIPVVTREQVPGCLNGRITTLIENGDL-ERAADLELTPEHSRVMLCGNPQMIEDTRAVLKARGMNLSLTRRPGQVAVENYW
2VNI Chain:A ((19-265))
----------QTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKPVGTLVIDALLPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQEDPLIGELVEGKLKYYPTTTREEFHHM--GRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGLREGANSEPREFVVEK--
General information:
TITO was launched using:
RESULT:
Template:
2VNI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169814 for 2008 contacts (-84.6/contact) +
2D Compatibility (PS) -26342 + (NN) -9960 + (LL) 1276
1D Compatibility (HY) -21200 + (ID) 4400
Total energy: -230440.0 ( -114.76 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_2VNI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VNI-query.scw
PDB file :
Tito_Scwrl_2VNI.pdb
: