Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKFGFLSVLEEELDK-HLQYDFAMDWDKKNHTVEVTFILEAQNSSAIETVDDQGETSSEDI-VFEDYVLFYNPVKSRFDAEDYLVTIPYEPKKGLSREFLAYFAETLNEVATEGLSDLMDFLTDDSIEEFGLSWDTDAFENGRAELKE---TEFYPYPRY
3NAT Chain:A ((4-163))
MKKATMLTYLEEQLEKHLGDYEVGLDWDRKNHTIEVIVRLYAENNEQVAIDDV-------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) -82862 for 1008 contacts (-82.2/contact) +
2D Compatibility (PS) -16369 + (NN) -8600 + (LL) 244
1D Compatibility (HY) -14000 + (ID) 3400
Total energy: -124987.0 ( -124.00 by residue)
QMean score : 0.668
(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
: