Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRIEALPTHIKAQVLAEALPWLKQLHGKVVVVKYGGNAMTDDTLRRAFAADMAFLRNCGIHPVVVHGGGPQITAMLRRLGIEGDFKGGFRVTTPEVLDVARMVLFGQVGRELVNLINAHGPYAVGITGEDAQLFTAVRRSVTVDGVATDIGLVGDVDQVNTAAMLDLVAAGRIPVVSTLAPDADGVVHNINADTAAAAVAEALGAEKLLMLTDIDGLYTRWPDRDSLVSEIDTGTLAQLLPT--LESGMVPKVEACLRAVIGGVPSAHIIDGRVTHCVLVELFTDAGTGTKVVRG
2JJ4 Chain:B ((33-309))
-----------RVRILSEALPYLQQFAGRTVVVKYGGAAMKQEELKEAVMRDIVFLACVGMRPVVVHGGGPEINAWLGRVGIEPQFHNGLRVTDADTMEVVEMVLVGRVNKDIVSRINTTGGRAVGFCGTDGRLVLA--RPHDQEG----IGFVGEVNSVNSEVIEPLLERGYIPVISSVAADENGQSFNINADTVAGEIAAALNAEKLILLTDTRGILEDPKRPESLIPRLNIPQSRELIAQGIVGGGMIPKVDCCIRSLAQGVRAAHIIDGRIPHALLLEIFTDAGIGTMIV--
General information:
TITO was launched using:
RESULT:
Template:
2JJ4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -233127 for 2377 contacts (-98.1/contact) +
2D Compatibility (PS) -30401 + (NN) -14394 + (LL) 1600
1D Compatibility (HY) -29200 + (ID) 6350
Total energy: -311872.0 ( -131.20 by residue)
QMean score : 0.509
(partial model without unconserved sides chains):
PDB file :
Tito_2JJ4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JJ4-query.scw
PDB file :
Tito_Scwrl_2JJ4.pdb
: