Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLSAKNLKITFNPGTPIETRALRGLSLDIPAGQFVTVIGSNGAGKSTFLNAV-------SGDLPIDSGQIL-IDDEDVTRKPVWARANRVARVFQD----PMAGTCEDLTIEENMALA---QRRGAGRGLGRAVQASMRDGFRESLATLGLG-LENRLGD-RIGLLSGGQRQAVSLLMAALQPSRILLLDEHTAALDPRTADFVLHLTARIVAEKKLTTMMVTHSMRQALDVGERTVMLHQGQVVLDVSGEQRKGLDVPDLLAMFEKVRGEKLADDALLLG
3TIF Chain:B ((1-223))
MVKLKNVTKTYKMGEEI-IYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTK----IRRDKIGFVFQQFNLIPL------LTALENVELPLIFKYRGAMSGEERRKRA---------LECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVA-RFGERIIYLKDGEV-------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3TIF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131046 for 1582 contacts (-82.8/contact) +
2D Compatibility (PS) -22468 + (NN) -6470 + (LL) 3536
1D Compatibility (HY) -14800 + (ID) 3850
Total energy: -175098.0 ( -110.68 by residue)
QMean score : 0.474
(partial model without unconserved sides chains):
PDB file :
Tito_3TIF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TIF-query.scw
PDB file :
Tito_Scwrl_3TIF.pdb
: