Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDAKVDTRRLVGRLLLVTVLMFAFGFALVPLYDVMCRALGINGKTAGSAYSGEQQVDVGREVKVQFMTSNNIDMVWEFRSAGDQLVVHPGAVNQMVFYARNPSDKPMTAQAIPSIAP------AEAAAYFHKTECFCFTQQVLQPGESIEMPVRFIVDRDLPKDVRHVTLAYTLFDITARKPPVPVAGR
4JQF Chain:A ((29-125))
-------------------------------------------------------------ENRVQSFYQQELEMVESLLSLANQPVIHS-----------------TTSKAIHSIFKNAIQLLQEKGLVFQKDDGFDNLYYVTREDKDLHRKIHRIIQQDCQKPNHMEKGCHFLHILACARLSIRPGLS
General information:
TITO was launched using:
RESULT:
Template:
4JQF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -18519 for 406 contacts (-45.6/contact) +
2D Compatibility (PS) -8088 + (NN) 4003 + (LL) 5260
1D Compatibility (HY) -3200 + (ID) 1100
Total energy: -21644.0 ( -53.31 by residue)
QMean score : -0.113
(partial model without unconserved sides chains):
PDB file :
Tito_4JQF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JQF-query.scw
PDB file :
Tito_Scwrl_4JQF.pdb
: