Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKKVKLGILISGRGSNMQALMKACQNYGFPAEMACVISNNNKAAGLKVAEQAGMPTFVVENK----PLDVDK-IHEILVQHEVNLVCLAGFMRILKADFLNKWHGKVINVHPSLLPSFKGLNAQEQALKAGVKVTGCTVHYVTSEVDAGAIIAQAAVPVLPNDDIHSLSKRILSEEHKCYVEAVRLIAMLSRKLERP
1NJS Chain:A ((2-185))
-----RVAVLISGTGSNLQALIDSTREPNSSAQIDIVISNKAAVAGLDKAERAGIPTRVINHKLYKNRVEFDSAIDLVLEEFSIDIVCLAGFMRILSGPFVQKWNGKMLNIHPSLLPSFKGSNAHEQALETGVTVTGCTVHFVAEDVDAGQIILQEAVPVKRGDTVATLSERVKLAEHKIFPAALQLVASGTVQLGEN
General information:
TITO was launched using:
RESULT:
Template:
1NJS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147593 for 1471 contacts (-100.3/contact) +
2D Compatibility (PS) -20193 + (NN) -14843 + (LL) 736
1D Compatibility (HY) -19200 + (ID) 4600
Total energy: -205693.0 ( -139.83 by residue)
QMean score : 0.607
(partial model without unconserved sides chains):
PDB file :
Tito_1NJS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NJS-query.scw
PDB file :
Tito_Scwrl_1NJS.pdb
: