Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLEIKELKKSYAIDRGLFKPKRVIHALNGISFEVEQNEVLSIVGESGCGKSTTAKILAGIERQDSGAIYFNGKRHLHFSKQDWFDYRKKVQMIFQDPYSSLNPRWKVGEIIAEPLLLNSHFSKKEIKTKVLEIMQKVGLKLEWIDRYPHQFSGGQRQRIGIARALILHPSVVICDEPVSALDVSIQAQVLNLLLDLQKEMGLTYIFISHDLGVVEHISDKIIVMNQGQIVETGDVDSVISAPKHPYTQKLLNAVPHLEKSMQRFAE
1V43 Chain:A ((11-245))
-VEVKLENLTKRFGN----------FTAVNKLNLTIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTEGRIYFGDRDVTYLP-----PKDRNISMVFQ--------HMTVYENIAFPL--KKF-PKDEIDKRVRWAAELLQIEE-LLNRYPAQLSGGQRQRVAVARAIVVEPDVLLMDEPLSNLDAKLRVAMRAEIKKLQQKLKVTTIYVTHDQVEAMTMGDRIAVMNRGQLLQIGSPTEVYLRPNSVFVATFIGAPEMNILEVSVGDG
General information:
TITO was launched using:
RESULT:
Template:
1V43.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169819 for 1861 contacts (-91.3/contact) +
2D Compatibility (PS) -24392 + (NN) -7321 + (LL) 1408
1D Compatibility (HY) -19600 + (ID) 3650
Total energy: -223374.0 ( -120.03 by residue)
QMean score : 0.597
(partial model without unconserved sides chains):
PDB file :
Tito_1V43.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1V43-query.scw
PDB file :
Tito_Scwrl_1V43.pdb
: