Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKLKVTGLKKSFGANE---VLKGIDIEVKEGEVVCVIGPSGSGKSTFLRCMNNL----EEITAGEVVVDD-------------FNITDKKVDINKVRENIGMVFQHFNLFPHLSVLENITLAPVELKK-MDKEAAKSNALRLLEQVGLREKAEEF--PNQLSGGQKQRVAIARALAM-DPDIMLFDEPTSALDPEMVGEVLGVMKELAKGGMTMMIVTHEMGFAREVGDRVIFM-DGGYIVEEGKPADIFDNPT-NERTISFLDKVL----
1B0U Chain:A ((5-261))
-NKLHVIDLHKRYGG--HEVLK-GVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPS----EGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRT-R-LTMVFQHFNLWSHMTVLENVMEAPIQVL-GLSKHDARERALKYLAKVGIDERAQG-KYPVHLSGGQQQRVSIARALAME-PDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLH-QGKIEEEGDPEQVFGNP-QSPRLQQFLKGSLKKLE
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) -141164 for 1800 contacts (-78.4/contact) +
2D Compatibility (PS) -25539 + (NN) -17223 + (LL) 876
1D Compatibility (HY) -24800 + (ID) 5850
Total energy: -213700.0 ( -118.72 by residue)
QMean score : 0.612
(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
: