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:B ((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) -225603 for 2198 contacts (-102.6/contact) +
2D Compatibility (PS) -27164 + (NN) -9651 + (LL) 340
1D Compatibility (HY) -21200 + (ID) 4300
Total energy: -287578.0 ( -130.84 by residue)
QMean score : 0.541
(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
: