Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTILVVTGTGTGVGKTVVCAALASAARQAGIDVAVCKPVQTGTARGDDDLAEVGRLAGVTQL---------AGLARYPQPMAPAAAAEHAGMALPA-RDQIVRLIADLDRPGRLTLVEGAGGLLVELAEPGVTLRDVAVDVAAAALVVVTADLGTLNHTKLTLEALAAQQVSCAGLVIGSWPDPPGLVAASNRSALARIAMVRAALPAGAASLDAGDFAAMSAAAFDRNWVAGLVG
3MLE Chain:A ((23-190))
--MLFISATNTNAGKTTCARLLAQYCNACGVKTILLKPIETGVNDAINHSSDAHLFLQDNRLLDRSLTLKDISFYRYHKVSAPLIAQQEEDPNAPIDTDNLTQRLHNFTKTYDLVIVEGAGGLCVPITLEENML-DFALKLKAKMLLISHDNLGLINDCLLNDFLLKSHQL-----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3MLE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94582 for 1232 contacts (-76.8/contact) +
2D Compatibility (PS) -17603 + (NN) -10975 + (LL) 4428
1D Compatibility (HY) -8400 + (ID) 2050
Total energy: -129182.0 ( -104.86 by residue)
QMean score : 0.389
(partial model without unconserved sides chains):
PDB file :
Tito_3MLE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MLE-query.scw
PDB file :
Tito_Scwrl_3MLE.pdb
: