Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAGRPLHAFEVVATRHLAPHMVRVVLGGSGFDTF---VPSDFTDSYIKLVFVDDDVDVGRLPRPLTLDSFADLPTAKRPPVRTMTVRHVDAAAREIAVDIVLHGEHGVAGPWAAGAQRGQPIYLMGPGGAYAPDPAADWHLLAGDESAIPAIAAALEALPPDAIGRAFIEVAGPDDEIGLTAPDAVEVNWVYRGGRADLVPEDRAGDHAPLIEAVTTTAWL-PGQVHVFIHGEAQAVMHNLRPYVRNERGVDAK-WASSISGYWRRGRTEEMFRKWKKELAEAEAGTH
4YHB Chain:A ((14-267))
--PLKSRLLEVVNVRRITPRMVRVDLGGSDIAGLRSDNF----ADHVKLWFPNPETGEHVLPVVE-DDRC-LNFRAPGVIYRDYTVRRFDAKARLLTIDFVVHD-NGPGGRWAATAQPGDRLGVLGPRGTVYYP-EADHYVLLADETALPAAARRIEELPRDASVTAFFEVADAAEEQELDAPEGAEITWLHRNGAAPGTT----D----LLLRALEQTEFPKGRVFVWAGGEAD-ALKPIRRLLKE-RGLV-RGRDFEVDGYWRRGVSNLDHHA-------------
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) -151252 for 1964 contacts (-77.0/contact) +
2D Compatibility (PS) -27223 + (NN) -13121 + (LL) 2356
1D Compatibility (HY) -11600 + (ID) 4300
Total energy: -205140.0 ( -104.45 by residue)
QMean score : 0.454
(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
: