Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMNDLTLHYLYDPLCGWCYGASPLLAAACEVTG--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: