Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSFLIVANWKMNGTRSLFVNFIGKLNDKSNEITSKLVICPPFTSLPGNIEL--NSNISIGAQNCHYKKSGSYTGEISAEMLKELGCTYVILGHSERT---HETNGEIKLKSETAIESGLHPIICVGENLEDRESSKTKEVVEYQCKSRLPIHGEYT---VAYEPIWAIGTGHVPSNNAIAEVIEVIQSYTSKK---------HVIYGGSVSLENIENLSNILNLSGVLIGSASLDFDRFHKIVQQVEKAY
3YPI Chain:A ((3-235))
-TFFVGGNFKLNGSKQSIKEIVERLNTASIPENVEVVICPPATYLDYSVSLVKKPQVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGQSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLEEVKDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPEFVDIINSRN----
General information:
TITO was launched using:
RESULT:
Template:
3YPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125096 for 1739 contacts (-71.9/contact) +
2D Compatibility (PS) -23411 + (NN) -6666 + (LL) 288
1D Compatibility (HY) -14000 + (ID) 4000
Total energy: -172885.0 ( -99.42 by residue)
QMean score : 0.381
(partial model without unconserved sides chains):
PDB file :
Tito_3YPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3YPI-query.scw
PDB file :
Tito_Scwrl_3YPI.pdb
: