Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYIEMKHSYKRYQTGETEIVANNDISFSIERGELVVILGASGAGKSTVLNILGGMDSNSEGEVLIDGKNI---------ANYTIRELTRYRRYDVGFVFQFYNLVPNLTALENVELASEIVPKALDAQQA-------LENVGLGHRIN-HFPAQLSGGEQQRVAIARAIAKKPKLLLCDEPTGALDYQTGKQVLAILQKMAQSKETTVIIVTHNTALAP-IANRVIHMHDSKISDIVINENPSDIQNIEY
1B0U Chain:A ((13-233))
---------HKRY--GGHEVLKG--VSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQHFNLWSHMTVLENV-MEAPIQVLGLSKHDARERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMV-VVTHEMGFARHVSSHVIFLHQGKIEEEGDPEQVFGNPQSPR
General information:
TITO was launched using:
RESULT:
Template:
1B0U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126629 for 1550 contacts (-81.7/contact) +
2D Compatibility (PS) -22676 + (NN) -12520 + (LL) 1192
1D Compatibility (HY) -20000 + (ID) 4050
Total energy: -184683.0 ( -119.15 by residue)
QMean score : 0.472
(partial model without unconserved sides chains):
PDB file :
Tito_1B0U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1B0U-query.scw
PDB file :
Tito_Scwrl_1B0U.pdb
: