Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAIERITKAAHLIDMNDIIREGNPTLRTVAEEVTFPLSDQEIILGEKMMQFLKHSQDPVMAEKMGLRGGVGLAAPQLDISKRIIAVLVPNIVE-EGETPQEAYDLEAIMYNPKIVSHSVQDAALGEGEGCLSVDRNVPGYVVRHARVTVDYFDKDGEKHRIKLKGYNSIVVQHEIDHINGIMFYDRINEKDPFAVKDGLLILE
2OS3 Chain:A ((1-203))
-SAQDKLIKPSHLITMDDIIREGNPTLRAVAKEVSLPLCDEDILLGEKMMQFLKHSQDPVMAEKLGLRAGVGLAAPQIDVSKRIIAVLVPNLPDKEGNPPKEAYSWQEVLYNPKIVSHSVQDAALSDGEGCLSVDRVVEGYVVRHARVTVDYYDKEGQQHRIKLKGYNAIVVQHEIDHINGVLFYDRINAKNPFETKEELLILD
General information:
TITO was launched using:
RESULT:
Template:
2OS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103017 for 1568 contacts (-65.7/contact) +
2D Compatibility (PS) -21272 + (NN) -4497 + (LL) 208
1D Compatibility (HY) -26800 + (ID) 7550
Total energy: -162928.0 ( -103.91 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_2OS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OS3-query.scw
PDB file :
Tito_Scwrl_2OS3.pdb
: