Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNRQPIVQLSNLSWTFREGETRRQVLDHITFDFEPGEFVALLGQSGSGKSTLLNLISGIEKPTTGDVTINGFAITQKTERDRTL---------FRRDQIGIVFQFFNLIPTLTVLENIT-LPQELAGVSQRKAAVVARDLLEKVGMADRER-TFPDKLSGGEQQRVAISRALAHNPMLVLADEPTGNLDSDTGDKVLDVLLDLTRQAGKTLIMATHSPSMTQH-ADRVVNLQGGRLIPAVNRENQTDQPASTILLPTSYE
1B0U Chain:A ((19-231))
----------------------HEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQHFNLWSHMTVLENVMEAPIQVLGLSKHDARERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEE-GKTMVVVTHEMGFARHVSSHVIFLHQGKI------------------------
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) -106263 for 1532 contacts (-69.4/contact) +
2D Compatibility (PS) -22176 + (NN) -13782 + (LL) 3036
1D Compatibility (HY) -19600 + (ID) 3900
Total energy: -162685.0 ( -106.19 by residue)
QMean score : 0.562
(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
: