Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLEIKELKKSYAIDRGLFKPKRVIHALNGISFEVEQNEVLSIVGESGCGKSTTAKILAGIERQDSGAIYFNGKRHLHFSKQDWFDYRKKVQMIFQDPYSSLNPRWKVGEIIAEPLLLNSHFSKKEIKTKVLEIMQKVGLKLEWIDRYPHQFSGGQRQRIGIARALILHPSVVICDEPVSALDVSIQAQVLNLLLDLQKEMGLTYIFISHDLGVVEHISDKIIVMNQGQIVETGDVDSVISAPKHPYTQKLLNAVPHLEKSMQRFAE
1VCI Chain:A ((27-245))
---------------------------AVNKLNLTIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTEGRIYFGDRDVTYLPPKD-----RNISMVFQ--------HMTVYENIAFPL--KK-FPKDEIDKRVRWAAELLQIE-ELLNRYPAQLSGGQRQRVAVARAIVVEPDVLLMDEPLSNLDAKLRVAMRAEIKKLQQKLKVTTIYVTHDQVEAMTMGDRIAVMNRGQLLQIGSPTEVYLRPNSVFVATFIGAPEMNILEVSVGDG
General information:
TITO was launched using:
RESULT:
Template:
1VCI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -168539 for 1667 contacts (-101.1/contact) +
2D Compatibility (PS) -22939 + (NN) -9523 + (LL) 3256
1D Compatibility (HY) -19600 + (ID) 3700
Total energy: -221045.0 ( -132.60 by residue)
QMean score : 0.605
(partial model without unconserved sides chains):
PDB file :
Tito_1VCI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VCI-query.scw
PDB file :
Tito_Scwrl_1VCI.pdb
: