Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGPTDTSTQPQGFSMTRLRLIGSAVLLSLSSMAMADSASQAEQFLKLVHADKLTVPVYAQVQQMLAQRFAQAKAPESKKAVLERYQAKANAELDRAIGWDKIKPELIKLYTTNFTES-ELKDLNAFYQSPLGKKVLEKMPRLTAESAQLTQAKLQGAVEPVNKLMADMDKELGVAAPAQKKK
2ABO Chain:A ((6-136))
--------------SGTYWATLITAFLKTVS---------------KVEELDCVDSAVLVDVSKIITLTQEFRRHYDS------VYRADYGPALK------NWKRDLSKLFTSLFVDVINSGRIVGFFD--VGRYVCE---------EVLCPGSWTEDHELLNDCMTHFFIENNLMNHFPLED
General information:
TITO was launched using:
RESULT:
Template:
2ABO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -39733 for 979 contacts (-40.6/contact) +
2D Compatibility (PS) -13208 + (NN) -288 + (LL) 3076
1D Compatibility (HY) -8800 + (ID) 1400
Total energy: -60353.0 ( -61.65 by residue)
QMean score : 0.501
(partial model without unconserved sides chains):
PDB file :
Tito_2ABO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ABO-query.scw
PDB file :
Tito_Scwrl_2ABO.pdb
: