Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVRLAFPNEIDQIMLLIEEARAEIAKTGSDQ-----WQKEDGYPNRNDIIDDILNGYAWVGIEDGMLATYAAVIDGHEEVYDAIYEGKWLHDNHRYLTFHRIAISNQFRGRGLAQTFLQGLIE-GHKGPDFRCDTHEKNVTMQHILNKLGYQYCGKVPLDGVRLAYQKIKEKGETSIYREIDERNPM
3FNC Chain:A ((6-147))
FHIRKATNSDAEAIQHVATTSWHHTYQDLIPSDVQDDFL--KRFYNVETLHNRISATPFAVLEQADKVIGFANFIELE----------------KGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHVPLPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDFYGYPLETIRFNLNH------------
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) -86684 for 948 contacts (-91.4/contact) +
2D Compatibility (PS) -15268 + (NN) -9123 + (LL) 2252
1D Compatibility (HY) -2800 + (ID) 850
Total energy: -112473.0 ( -118.64 by residue)
QMean score : 0.455
(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
: