Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKYEHIAKQLNAFIHQSNFKPGDKLPNVTQLKERYQVSKSTIIKALGLLEQDGLIYQAQGSGIYVRNIADANRINVFKTNGFSKSLGEHRMTSKVLVFKEMATPPKSVQDELQLNADDTVYYLERLRFVDDDVLCIEYSYYHKEIVKYLNDDIA-KGSIFDYLESNMKLRIGFSDIFFNVDKLTSSEASLLQLSTGEPCLRYHQTFYTMTGKPFDSSDIVFHYRHAQFYIPSKK
3EDP Chain:A ((8-235))
KPLFEVIASKIKDSINRDEYKTG--MPNETALQEIYSSSRTTIRRAVDLLVEEGLVVRKNGVGLYVQPKLTAQN--ILEMTGVMKN-----LKKDIKDFYIRK-AGKFYAEIFGMKENELVYSIKFVQKS-EHGATLDRLILPLGLYPDLQAKDFQIINIIELVNS-GKYKLFELEQELQLILAGNEQIKNMHLNENDPVFKLSSVFYAENDMPIAIQYHYEDAESTKYVVDF--
General information:
TITO was launched using:
RESULT:
Template:
3EDP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89118 for 1610 contacts (-55.4/contact) +
2D Compatibility (PS) -23697 + (NN) -5264 + (LL) 388
1D Compatibility (HY) -11200 + (ID) 2000
Total energy: -130891.0 ( -81.30 by residue)
QMean score : 0.428
(partial model without unconserved sides chains):
PDB file :
Tito_3EDP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EDP-query.scw
PDB file :
Tito_Scwrl_3EDP.pdb
: