Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKFGFLSVLEEELDKHL-QYDFAMDWDKKNHTVEVTFILEAQNSSAIETVDDQGETSSEDIV-FEDYVLFYNPVKSRFDAEDYLVTIPYEPKKGLSREFLAYFAETLNEVATEGLSDLMDFLTDDSIEEFGLSWDTDAFENGRAELKETE---FYPYPRY
3NAT Chain:A ((6-163))
--KATMLTYLEEQLEKHLGDYEVGLDWDRKNHTIEVIVRLYAENNEQVAIDDV-------EFIEFEDGLLFYNPQKSVVDDEEYLVTIPYEGKKGLRKAVLDGFIHYLKVVLDEGQSDLLDFLSDETAEVFELHWEPADFEAMIKKVAETEKEQWIAYPS-
General information:
TITO was launched using:
RESULT:
Template:
3NAT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87489 for 1011 contacts (-86.5/contact) +
2D Compatibility (PS) -16217 + (NN) -8586 + (LL) 596
1D Compatibility (HY) -15200 + (ID) 3550
Total energy: -130446.0 ( -129.03 by residue)
QMean score : 0.662
(partial model without unconserved sides chains):
PDB file :
Tito_3NAT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NAT-query.scw
PDB file :
Tito_Scwrl_3NAT.pdb
: