Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAGRPLHAFEVVATRHLAPHMVRVVLGGSGFDTFVPSDFTDSYIKLVFVDDDVDVGRLPRPLTLDSFADLPTAKRPPVRTMTVRHVDAAAREIAVDIVLHGEHGVAGPWAAGAQRGQPIYLMGP-GGAYAPDPAADWHLLAGDESAIPAIAAALEALPPDAIGRAFIEVAGPDDEIGLTAPDAVEVNWVYRGGRADLVPEDRAGDHAPLIEAVTTTAWLPGQVHVFIHGEAQAVMHNLRPYVR--NERGVDAKWASSISGYWRRGRTEEMFRKWKKELAEAEAGTH
4YHB Chain:B ((20-259))
--------LEVVNVRRITPRMVRVDLGGSDIAGLRSDNFAD-HVKLWFPNPET--GEHVLPVVEDDRCLNFRAPGVIYRDYTVRRFDAKARLLTIDFVVH-DNGPGGRWAATAQPGDRLGVLGPRGTVYYPE--ADHYVLLADETALPAAARRIEELPRDASVTAFFEVADAAEEQELDAPEGAEITWLHRNGAA-------PGTTDLLLRALEQTEFPKGRVFVWAGGEADA----LKPIRRLLKERGLVRGRDFEVDGYWRRG---------------------
General information:
TITO was launched using:
RESULT:
Template:
4YHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142252 for 1838 contacts (-77.4/contact) +
2D Compatibility (PS) -25411 + (NN) -11338 + (LL) 3060
1D Compatibility (HY) -13600 + (ID) 4850
Total energy: -194391.0 ( -105.76 by residue)
QMean score : 0.403
(partial model without unconserved sides chains):
PDB file :
Tito_4YHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YHB-query.scw
PDB file :
Tito_Scwrl_4YHB.pdb
: