Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLQTRFAQLKQENRAALVTFVTAGDPDYASSLEILKGLPAAGADVIELGMPFTDPMADGPAIQLANIRALDGGQTLARTLQMVREFRSGDSETPLVLMGYFNPIHHYGVERFIAEAKEVGVDGLIVVDLPPEHNEDLCHPAQAAGIDFIRLTTPTTGDQRLPTVLEGSSGFVYYVSVAGVTGANAATLEHVEEAVARLRRHTDLPIGIGFGIRSAEHAAAVAR-LADGVVVGSALIDRIAKARDNAQAVKDVLALCGELAEGVRNAR
1RD5 Chain:A ((6-260))
----SDTMAALMAKGKTAFIPYITAGDPDLATTAEALRLLDGCGADVIELGVPCSDPYIDGPIIQASVARALASGTTMDAVLEMLREVTPE-LSCPVVLLSYYKPIM----FRSLAKMKEAGVHGLIVPDLPYVAAHSLWSEAKNNNLELVLLTTPAIPEDRMKEITKASEGFVYLVSVNGVTGPRANVNPRVESLIQEVKKVTNKPVAVGFGISKPEHVKQIAQWGADGVIIGSAMVRQLGEAASPKQGLRRLEEYARGMKNALG---
General information:
TITO was launched using:
RESULT:
Template:
1RD5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -181492 for 2189 contacts (-82.9/contact) +
2D Compatibility (PS) -29044 + (NN) -22127 + (LL) 748
1D Compatibility (HY) -22000 + (ID) 4850
Total energy: -258765.0 ( -118.21 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_1RD5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1RD5-query.scw
PDB file :
Tito_Scwrl_1RD5.pdb
: