Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHSSWHDLIKRELPNHYYNKINTFMDAVYESGIVYPPRDKVFNAIQITPLENVKVVIIGQDPYHGPQQAQGLSFSVPDNLPAPPSLQNILKELAEDIG---SRSHHDLTSWAQQGVLLLNACLTVPEHQANGHAGLIWEPFTDAVIKVVNQKETPVVFILWGGYARKKKSLIDNPIHHIIESPHPSPLSAYRGFFGSRPFSRTNHFLEEEGINEIDWLN
2BOO Chain:A ((27-238))
-----WQEALLPEFSAPYFHELTDFLRQERKEYTIYPPAPDVFNALRYTPLGEVKVLILGQDPYHGPNQAHGLSFSVRPGVRVPPSLRNIYKELTEDIPGFVAPKHGYLRSWAEQGVLLLNAVLTVRAGQANSHQGKGWEHFTDAVIKAVNAKEERVVFILWGSYARKKKKLITGKNHVVIESGHPSPLSE-QYFFGTRPFSKTNEALEKAGRGPVEWQL
General information:
TITO was launched using:
RESULT:
Template:
2BOO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120367 for 1696 contacts (-71.0/contact) +
2D Compatibility (PS) -22250 + (NN) -10381 + (LL) 352
1D Compatibility (HY) -20800 + (ID) 5900
Total energy: -179346.0 ( -105.75 by residue)
QMean score : 0.558
(partial model without unconserved sides chains):
PDB file :
Tito_2BOO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BOO-query.scw
PDB file :
Tito_Scwrl_2BOO.pdb
: