Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDILEIKNVNYSYANSKEKVLSGVNQKFELGKFYAIVGKSGTGKSTLLSLLAGLDKVQTGKILFKNEDIEKKGYSNHRKNNISLVFQNYNLIDYLSPIENIRLVNKS----VDESILFELGLDKK----------QIKRNVMKLSGGQQQRVAIARALVSDAPIILADEPTGNLDSVTAGEIINILKELAQDRNKCVIVVTHSKEVADSADIILELSGKKLKKVNKMNLEVE
3NH6 Chain:A ((53-273))
--RIEFENVHFSYAD-GRETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASL-RSHIGVVPQDTVLFN-DTIADNIRYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCA--NRTTIVVAHRLSTVVNADQILVIKDGCIVERGRHEALLS
General information:
TITO was launched using:
RESULT:
Template:
3NH6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114163 for 1582 contacts (-72.2/contact) +
2D Compatibility (PS) -22051 + (NN) -1381 + (LL) 320
1D Compatibility (HY) -9200 + (ID) 3300
Total energy: -149775.0 ( -94.67 by residue)
QMean score : 0.540
(partial model without unconserved sides chains):
PDB file :
Tito_3NH6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NH6-query.scw
PDB file :
Tito_Scwrl_3NH6.pdb
: