Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEIKNLSKKFDQKTILDNVNITLQDGEILSIVGPSGGGKTTLLRCISGLEKMDAGEILIDGEKIDPM-------------SRKDVENTIGVVFQEFHLFPHLSVLDNLILAPTLARKTKKADAVKEAERLLGLLDLADKA-NSMPYQLSGGQKQRVAIARALAMNPKVLLFDEPTSALDPDLRDHVAALILSLKKVGITQIIVTHDHTFAEKVADQMMEVEPLKKEAI
1B0U Chain:A ((7-233))
-LHVIDLHKRYGGHEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQHFNLWSHMTVLENVMEAPIQVLGLSKHDARERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLHQGKIEE-
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) -130916 for 1703 contacts (-76.9/contact) +
2D Compatibility (PS) -23304 + (NN) -11101 + (LL) 412
1D Compatibility (HY) -21600 + (ID) 4250
Total energy: -190759.0 ( -112.01 by residue)
QMean score : 0.591
(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
: