Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MIRLEKVNKWYGAYHALADVDE----QVGRGEVVVVCGPSGSGKSTLIRTLNRL----EPIQGGRILIDG-------------QDIHAPGLDLNRFRSHIGFVFQQFNLFPHLNVLDNCTLA-----SLRLRGLKPAEARRQAMALLERVGLADKAAAF--PARLSGGQQQRVAIARALAM-EPPLMLFDEPTSALDPEMVGEVLLVMRDLARDGMTMVVVTHEMGFAHDVADRVLFMDA-GRVLERASPDDFFNRPQHPRARKFLADIRTPFAQPL
1B0U Chain:A ((5-261))
NKLHVIDLHKRYGG---HEVLK-GVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPS----EGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRT-R-LTMVFQHFNLWSHMTVLENVMEAPIQVL-----GLSKHDARERALKYLAKVGIDERAQG-KYPVHLSGGQQQRVSIARALAME-PDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLH-QGKIEEEGDPEQVFGNP-QS--PRLQQFLKGSLKKLE
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) -152580 for 1736 contacts (-87.9/contact) +
2D Compatibility (PS) -25108 + (NN) -15393 + (LL) 2084
1D Compatibility (HY) -22400 + (ID) 5100
Total energy: -218497.0 ( -125.86 by residue)
QMean score : 0.535
(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
: