Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEKAPQKSVADFWFDPLCPWCWITSRWILEVAKVR--DIEVNFHVMSLAILNENRDDLPEQYREGMARAWGPVRVAIAAEQAHGAKVLDPLYTAMGNRIHNQGNHE-LDEVITQSLADAGLPAELAKAAT-S-DAYDNALRKSHHAGMDAVGEDVGTPTIHVNGVAFFGPVLSKIPRGEEAGKLWDASVTFASYPHFFELKRTRTEPPQFD
4JRR Chain:A ((21-187))
-STNKDKTPLITEFFSYGCPWCYKIDAPLNDWATRMGKGAHLERVPVVFKP-----------------NWDLYAKAYYTAKTL-A--MSDKMNPILFKAIQEDKNPLATKQSMVDFFVAHGVDREIAKSAFENSPTIDMRVNSGMSLM-AHYQ-INAVPAFVVNNKYKTD--LQMAGSEERLFEILNYLVRK--------------------
General information:
TITO was launched using:
RESULT:
Template:
4JRR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82221 for 1237 contacts (-66.5/contact) +
2D Compatibility (PS) -17791 + (NN) -7379 + (LL) 2652
1D Compatibility (HY) -2400 + (ID) 1100
Total energy: -108239.0 ( -87.50 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_4JRR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JRR-query.scw
PDB file :
Tito_Scwrl_4JRR.pdb
: