Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFHIRKATNSDAEAIQHVAITSWHHTYQDLIPGDVQDDFLERFYNVETLHN-RISATPFAVVEQADKVIGFANFIEL-E---KGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHVP--LPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDF--YGYPLETIRFNLNHHAFEEE
3DR6 Chain:A ((3-170))
-AMTIRFADKADCAAITEIYNHAVLHTAA-IWNDRTVDTD--NR--LAWYEARQLLGYPVLVSEENGVVTGYASFGDWRSFDGFRYTVEHSVYVHPAHQGKGLGRKLLSRLIDEARRCGKHVMVAGIESQNAASIRLHHSLGFTVTAQMPQVGVKFGRWLDLTFMQLQLDEHAA-
General information:
TITO was launched using:
RESULT:
Template:
3DR6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74156 for 1125 contacts (-65.9/contact) +
2D Compatibility (PS) -16815 + (NN) -2192 + (LL) 528
1D Compatibility (HY) -4000 + (ID) 1600
Total energy: -98235.0 ( -87.32 by residue)
QMean score : 0.337
(partial model without unconserved sides chains):
PDB file :
Tito_3DR6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DR6-query.scw
PDB file :
Tito_Scwrl_3DR6.pdb
: