Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLPHCETLLLEPIEGVLRITLNRPQSRNAMSLAMVGELRAVLAAVRDDRSVRALVLRGADGHFCAGGDIKDMAGARAAGA-----EAYRTLNRAFGSLLEEAQAAPQLLVALVEGAVLGGGFGLACVSDVAIAAADAQFGLPETSLGILPAQIAPFVVRRIGLTQARRLALTAARFDGREALRLGLVHFCEADADALEQRLEETLEQLRRCAPNANAATKALLLASESGELGALLDDAARQFAEAVGGAEGSEGTLAFVQKRKPVWAQ
4K3W Chain:A ((29-292))
-----CETLILEKQGPTLVITINRPDVRNAMSLQMVAELSTIFSEIENDISIRAAVLRGAGGHFCAGGDIKDMAGARSQKAGEGRDDPFYKLNRAFGQMIQQVNESSKVVIAITEGAVMGGGFGLACVSDLAIAGPTAKFGMPETTLGVIPAQIAPFVVERIGLTQARRLALLGLRIDATEACKLGIVHQVAESEEQLSDMLNQALERVRLCAPDATAETKALLHRVGHEAMAGLLDDAAEKFAAAIRGPEGAEGTMAFMQKREPKWAE
General information:
TITO was launched using:
RESULT:
Template:
4K3W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153413 for 2065 contacts (-74.3/contact) +
2D Compatibility (PS) -28074 + (NN) -12506 + (LL) 260
1D Compatibility (HY) -26800 + (ID) 7400
Total energy: -227933.0 ( -110.38 by residue)
QMean score : 0.446
(partial model without unconserved sides chains):
PDB file :
Tito_4K3W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4K3W-query.scw
PDB file :
Tito_Scwrl_4K3W.pdb
: