Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVEPIISIQGLHKSFGKNEVLKGIDLDIHQGEVVVIIGPSGSGKSTFLRTMNLLEVPTKGTVTFEGIDITDKK-----------NDIFKMREKMGMVFQQFNLFPNMTVLENITLSPIKTKGLSKLDAQTKAYELLEKVGLKEKA-NAYPASLSGGQQQRIAIARGLAMNPDVLLFDEPTSALDPEMVGEVLTVMQDLAKSGMTMVIVTHEMGFAREVADRVIFMDAGIIVEQGTPKEVFEQTKEIRTRDFLSKVL
1B0U Chain:A ((5-256))
---NKLHVIDLHKRYGGHEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQHFNLWSHMTVLENVMEAPIQVLGLSKHDARERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLHQGKIEEEGDPEQVFGNPQSPRLQQFLKGSL
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) -147397 for 1950 contacts (-75.6/contact) +
2D Compatibility (PS) -26329 + (NN) -14060 + (LL) 504
1D Compatibility (HY) -24400 + (ID) 6500
Total energy: -218182.0 ( -111.89 by residue)
QMean score : 0.620
(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
: