Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSFLIVANWKMNGTRSLFVNFIGKLNDKSNEITSKLVICPPFTSLPGNIEL--NSNISIGAQNCHYKKSGSYTGEISAEMLKELGCTYVILGHSERT---HETNGEIKLKSETAIESGLHPIICVGENLEDRESSKTKEVVEYQCKSRLPIHGEYT---VAYEPIWAIGTGHVPSNNAIAEVIEVIQSYTSKK---------HVIYGGSVSLENIENLSNILNLSGVLIGSASLDFDRFHKIVQQVEKAY
2YPI Chain:A ((3-235))
-TFFVGGNFKLNGSKQSIKEIVERLNTASIPENVEVVICPPATYLDYSVSLVKKPQVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGHSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLEEVKDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPEFVDIINSRN----
General information:
TITO was launched using:
RESULT:
Template:
2YPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112818 for 1748 contacts (-64.5/contact) +
2D Compatibility (PS) -23536 + (NN) -8125 + (LL) 288
1D Compatibility (HY) -14000 + (ID) 4050
Total energy: -162241.0 ( -92.82 by residue)
QMean score : 0.371
(partial model without unconserved sides chains):
PDB file :
Tito_2YPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YPI-query.scw
PDB file :
Tito_Scwrl_2YPI.pdb
: