Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFIVIKIGGSTL--SDMHPSIINNIKHLRSNNIYPIIVHGGGPFINEALSNQQIEPHFVNGLRVTDKATMTITKHTLIADVNTALVAQFNQHQCSAIGLCGLDAQLFEITSFDQQ-YGYVGVPTALNKDALQYLCTK-FVPIINSIGFNNHDGEFYNINADTLAYFIASSLKAP-IYVLSNIAGVLIN----DVVIPQLPLVDIHQYIEHGDIYGGMIPKVLDAKNAIENGCPKVIIASGNKPN-IIESIYNNDFVGTTILNS
2JJ4 Chain:A ((50-311))
-RTVVVKYGGAAMKQEELKEAVMRDIVFLACVGMRPVVVHGGGPEINAWLGRVGIEPQFHNGLRVTDADTMEVVEMVLVGRVNKDIVSRINTTGGRAVGFCGTDGRLVLARPHDQEGIGFVGEVNSVNSEVIEPLLERGYIPVISSVA-ADENGQSFNINADTVAGEIAAALNAEKLILLTDTRGILEDPKRPESLIPRLNIPQSRELIAQGIVGGGMIPKVDCCIRSLAQGVRAAHIIDGRIPHALLLEIFTDAGIGTMIVGS
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) -227715 for 2200 contacts (-103.5/contact) +
2D Compatibility (PS) -27130 + (NN) -9568 + (LL) 340
1D Compatibility (HY) -21200 + (ID) 4300
Total energy: -289573.0 ( -131.62 by residue)
QMean score : 0.545
(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
: