Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDLTLHYLYDPLCGWCYGASPLLAAACEVTG--LDVRLHGGGMMTDANRQPVGAGLRHYVMPHDLRIAQLTGQPFGKDYFDGLLRDTSAVFDSAPPTAAVLAAEALDGLGA-AMLARIQRAHYVEGRRIAERPVLLELGAELGLGEG-FAEAFDACSGEPLRAHFADSRRLMNRLGAAGFPTFALERDGRLQVLDTGRYLGQPDDWRAFLETQLRLAGGSGAVGGAAAPLCRIDGCA
2IN3 Chain:A ((9-194))
----VLWYIADPMCSWCWGFAPVIENIRQEYSAFLTVKIMPG----GTNT-PLLPEKRAQILHHWHSVHITTGQPFT---FENALPE-GFIYDTEPACRGVVSVSLIEPEKVFPFFAAIQRAFYVGQEDVAQLAILKKLAVDLGIPESRFTPVFQ--SDEAKQRTLAGFQRVA-QWGISGFPALVVESGTDRYLITTGYRPIEALRQLLDTWLQQHG---------------------
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) -104346 for 1330 contacts (-78.5/contact) +
2D Compatibility (PS) -19690 + (NN) -9083 + (LL) 2328
1D Compatibility (HY) -13200 + (ID) 2600
Total energy: -146591.0 ( -110.22 by residue)
QMean score : 0.345
(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
: