Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-----MAGRPLHAFEVVATRHLAPHMVRVVLGGSGFDTFVPSDFTDSYIKLVFVDDDVDVGRLPRPLTLDSFADLPTAKRPPVRTMTVRHVDAAAREIAVDIVLHGEHGVAGPWAAGAQRGQPIYLMGPGGAYAPDPAADWHLLAGDESAIPAIAAALEALPPDAIGRAFIEVAGPDDEIGLTAPDAVEVNWVYRGGRADLVPEDRAGDHAPLIEAVTTTAWLPGQVHVFIHGEAQAVMHNLRPYVRNERGVDAKWASSISGYWRRGRTEEMFRKWKKELAEAEAGTH
4YHB Chain:A ((7-267))
ERTVEMYPLKSRLLEVVNVRRITPRMVRVDLGGSDIAGLRSDNFAD-HVKLWF--PNPETGEHVLPVVEDDRCLNFRAPGVIYRDYTVRRFDAKARLLTIDFVVHDN-GPGGRWAATAQPGDRLGVLGPRGTVYY-PEADHYVLLADETALPAAARRIEELPRDASVTAFFEVADAAEEQELDAPEGAEITWLHRNGAA-------PGTTDLLLRALEQTEFPKGRVFVWAGGE-ADALKPIRRLLKERGLVRGRD-FEVDGYWRRGVSNLDHHA-------------
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) -153327 for 2046 contacts (-74.9/contact) +
2D Compatibility (PS) -27419 + (NN) -11416 + (LL) 1752
1D Compatibility (HY) -13600 + (ID) 4550
Total energy: -208560.0 ( -101.94 by residue)
QMean score : 0.419
(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
: