Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRIEALPTHIKAQVLAEALPWLKQLHGKVVVVKYGGNAMTDDTLRRAFAADMAFLRNCGIHPVVVHGGGPQITAMLRRLGIEGDFKGGFRVTTPEVLDVARMVLFGQVGRELVNLINAHGPYAVGITGEDAQLFTAVRRSVTVDGVATDIGLVGDVDQVNTAAMLDLVAAGRIPVVSTLAPDADGVVHNINADTAAAAVAEALGAEKLLMLTDIDGLYTRWPDRDSLVSEIDTGTLAQLLP--TLESGMVPKVEACLRAVIGGVPSAHIIDGRVTHCVLVELFTDAGTGTKVVRG
4USJ Chain:A ((40-316))
-----------RVEILSESLPFIQKFRGKTIVVKYGGAAMTSPELKSSVVSDLVLLACVGLRPILVHGGGPDINRYLKQLNIPAEFRDGLRVTDATTMEIVSMVLVGKVNKNLVSLINAAGATAVGLSGHDGRLLTA--RPVP---NSAQLGFVGEVARVDPSVLRPLVDYGYIPVIASVAADDSGQAYNINADTVAGELAAALGAEKLILLTDVAGILENKEDPSSLIKEIDIKGVKKMIEDGKVAGGMIPKVKCCIRSLAQGVKTASIIDGRRQHSLLHEIMSDEGAGTMI---
General information:
TITO was launched using:
RESULT:
Template:
4USJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -223164 for 2391 contacts (-93.3/contact) +
2D Compatibility (PS) -30790 + (NN) -18275 + (LL) 1424
1D Compatibility (HY) -30400 + (ID) 5900
Total energy: -307105.0 ( -128.44 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_4USJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4USJ-query.scw
PDB file :
Tito_Scwrl_4USJ.pdb
: