Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPNEALGLIEVTGFLGAVVAADTCLKAANVELIQCEVISGGLTTVELTGDVGAVNAAIEAGKAATEDL--GCLVSSHVIARMSEDTKALFVPQEEAKPQPKEIKQEEPKEVIQKVVEVNTNTKSTEKKLRAMKVIDLRKLAYTLDNVPIPKSKIKYANKDKLVHALKDIYGRSEN
3SSQ Chain:A ((21-115))
-MPIAVGMIETRGFPAVVEAADAMVKAARVTLVGYEKIGSGRVTVIVRGDVSEVQASVAAGVDSAKRVNGGEVLSTHIIARPHENLEYVLPIRYTE-------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3SSQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38673 for 699 contacts (-55.3/contact) +
2D Compatibility (PS) -9963 + (NN) -2368 + (LL) 5896
1D Compatibility (HY) -6400 + (ID) 1700
Total energy: -53208.0 ( -76.12 by residue)
QMean score : 0.407
(partial model without unconserved sides chains):
PDB file :
Tito_3SSQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SSQ-query.scw
PDB file :
Tito_Scwrl_3SSQ.pdb
: