Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNVMLITGASRGIGAATALLAAERGYAVVLNYLRNREAAEALRQRIERQGGEALAVAADVAEEGDVERLFASIDERFGRLDVLVNNAGMLEAQTRLENIDAARLHRVFATNVTGSFLCAREAVKRLSTRHGGRGGSIVNVSSMASRLGSPNEYIDYAAAKGAIDSMTIGLAREVAAEGIRVNAVRPGLIDTEIHASGGEPGRIERLKGGIPLGRGGTAEEVARAILWLASDEASYSTGTFIDVSGGR
4IIN Chain:B ((30-268))
-KNV-LITGASKGIGAEIAKTLASMGLKVWINYRSNAEVADALKNELEEKGYKAAVIKFDAASESDFIEAIQTIVQSDGGLSYLVNNAGVVRDKLAIK-MKTEDFHHVIDNNLTSAFIGCREALKVMSK---SRFGSVVNVASIIGERGNMGQ-TNYSASKGGMIAMSKSFAYEGALRNIRFNSVTPGFIET--------------VK-NIPLNRLGSAKEVAEAVAFLLSDHSSYITGETLKVNGG-
General information:
TITO was launched using:
RESULT:
Template:
4IIN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115330 for 1940 contacts (-59.4/contact) +
2D Compatibility (PS) -24754 + (NN) -11514 + (LL) 752
1D Compatibility (HY) -16000 + (ID) 4700
Total energy: -171546.0 ( -88.43 by residue)
QMean score : 0.579
(partial model without unconserved sides chains):
PDB file :
Tito_4IIN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IIN-query.scw
PDB file :
Tito_Scwrl_4IIN.pdb
: