Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFHIRKATNSDAEAIQHVAITSWHHTYQDLIPGDVQDDFLERFYNVETLHNRISATPFAVVEQADKVIGFANFIELEKGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHVPLPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDFYGYPLETIRFNLNHHAFEEE
3FNC Chain:B ((5-163))
-DFHIRKATNSDAEAIQHVATTSWHHTYQDLIPSDVQDDFLKRFYNVETLHNRISATPFAVLEQADKVIGFANFIELEKGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHVPLPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDFYGYPLETIRFNLNH------
General information:
TITO was launched using:
RESULT:
Template:
3FNC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110864 for 1176 contacts (-94.3/contact) +
2D Compatibility (PS) -16948 + (NN) -3497 + (LL) 840
1D Compatibility (HY) -22800 + (ID) 7750
Total energy: -161019.0 ( -136.92 by residue)
QMean score : 0.460
(partial model without unconserved sides chains):
PDB file :
Tito_3FNC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FNC-query.scw
PDB file :
Tito_Scwrl_3FNC.pdb
: