Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKMDTLGFLELNSISKGIEAVDTMLKAANSELIYAKASCPGKYYILIAGTVDSVAQSIEAGTKIGAANIVGNLVIPRVSDQVIKAINKTEVPDEMNAVGVMEYYSCSGSIIAADAAVKAADVQLMDIRLATGIAGKSFVVLTGDTAACETAVEAGLAAAKEEALLINKVVIPRPRKEVFESLIY
3NWG Chain:A ((3-180))
---ESIGLVEVNSIARGIEAADAMLKAAQVDLLEAKPVCPGKYIVLICGDVAAVQSSVTAGKTMAAHSVLDDFILPNVHPQVLTAISAATPLTLIKALGIIETFSIASLIVAADTAAKTGQVDLVEIRIGMGIGGKSFVTLTGDVASVESSVAAGVMLASERGMLVDKVVIPSPHDHLKRC---
General information:
TITO was launched using:
RESULT:
Template:
3NWG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127112 for 1520 contacts (-83.6/contact) +
2D Compatibility (PS) -18880 + (NN) -1786 + (LL) 952
1D Compatibility (HY) -19600 + (ID) 3850
Total energy: -170276.0 ( -112.02 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_3NWG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NWG-query.scw
PDB file :
Tito_Scwrl_3NWG.pdb
: