Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDLTLHYLYDPLCGWCYGASPLLAAACEV--TGLDVRLHGGGMMTDANRQPVGAGLRHYVMPHDLRIAQLTGQPFGKDYFDGLLRDTSAVFDSAPPTAAVLAAEALD-GLGAAMLARIQRAHYVEGRRIAERPVLLELGAELGLG-EGFAEAFDACSGEPLRAHFADSRRLMNRLGAAGFPTFALERDGRLQV-LDTGRYLGQPDDWRAFLETQLRLAGGSGAVGGAAAPLCRIDGCA
2IN3 Chain:A ((6-213))
-EKPVLWYIADPMCSWCWGFAPVIENIRQEYSAFLTVKIMPG----GTNT-PLLPEKRAQILHHWHSVHITTGQPFTFENA---L-PEGFIYDTEPACRGVVSVSLIEPEKVFPFFAAIQRAFYVGQEDVAQLAILKKLAVDLGIPESRFTPVFQ---SDEAKQRTLAGFQRVAQWGISGFPALVVESGTDRYLITT---GYRPIEALRQLLDTWLQQHG-------------------
General information:
TITO was launched using:
RESULT:
Template:
2IN3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132038 for 1510 contacts (-87.4/contact) +
2D Compatibility (PS) -21882 + (NN) -10595 + (LL) 1204
1D Compatibility (HY) -11600 + (ID) 2450
Total energy: -177361.0 ( -117.46 by residue)
QMean score : 0.419
(partial model without unconserved sides chains):
PDB file :
Tito_2IN3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IN3-query.scw
PDB file :
Tito_Scwrl_2IN3.pdb
: