Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPTDRRVRADAARNRARVLEVAYQTFAADGL-SVPVDEIARRAGVGAGTVYRHFPTKEALFQAVIADRMHRIIDKGHALLKSKHPGDALFAFLRSMVLQWGATDRGLVEA----LAGVGIEISSAAPEAEADFLDLLTDLLRAAQRAGTVRPDVDVLEVKTLLVGCQAMQSYNAELAAKVTDVALDGLRANRK
3WHB Chain:A ((10-159))
-----------------QIIDAAVEVIAENGYHQSQVSKIAKQAGVADGTIYLYFKNKEDILISLFKEKMGQFIERMEEDIKEKATAKEKLALVISKHFSLLAGDHNLAIVTQLELRQSNLELRQKINEILKGYLNILDGILTEGIQSGEIKEGLDVRLARQMIFGT---------------------------
General information:
TITO was launched using:
RESULT:
Template:
3WHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88181 for 972 contacts (-90.7/contact) +
2D Compatibility (PS) -16268 + (NN) -10888 + (LL) 3588
1D Compatibility (HY) -11600 + (ID) 1700
Total energy: -125049.0 ( -128.65 by residue)
QMean score : 0.596
(partial model without unconserved sides chains):
PDB file :
Tito_3WHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WHB-query.scw
PDB file :
Tito_Scwrl_3WHB.pdb
: