Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFHIRKATNSDAEAIQHVAITSWHHTYQD--------LIPGDVQDDFLERFYNVETLHNRIS--ATPFAVVEQADKVIGFANFIEL-E---KGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHVP--LPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDF---YGYPLETIRFNLNHHAFEEE
1GHE Chain:A ((4-173))
--AQLRRVTAESFAHYRHGLAQLLFETVHGGASVGFMADLDMQQAYAWC------DGLKADIAAGSLLLWVVAEDDNVLASAQLSLCQKPNGLNRAEVQKLMVLPSARGRGLGRQLMDEVEQVAVKHKRGLLHLDTE-AGSVAEAFYSALAYTRVGELPGYCATPDGRLHPTAIYFKTL------
General information:
TITO was launched using:
RESULT:
Template:
1GHE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82972 for 1095 contacts (-75.8/contact) +
2D Compatibility (PS) -15426 + (NN) 3751 + (LL) 1368
1D Compatibility (HY) -4800 + (ID) 1400
Total energy: -99479.0 ( -90.85 by residue)
QMean score : 0.440
(partial model without unconserved sides chains):
PDB file :
Tito_1GHE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GHE-query.scw
PDB file :
Tito_Scwrl_1GHE.pdb
: