Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLAKGKEMGKLEGKIALIAGASGGMGSAVAKRFVREGAYVILISRSIDNLKQLYDEIEKLDEFKEGSVKLIQLDLLDFENVKILANMIESLKLSESGALDILVACTGILGKLNLVHDCELEELQNVMNTNFTANWYLLKNLDPVLKKSNSGRVIFMTSEVTLSPSSYPYWVPYAASKAALEIMVKIYASETKHTKLCVNAVYSEGPVDSEMYKQAFPG-------K-DIS-EL-ILPNKLTDKFVELASED-CS-ISGQVLPLSKSLE
1SPX Chain:A ((2-261))
---------TRFAEKVAIITGSSNGIGRATAVLFAREGAKVTITGRHAERLEETRQQILAAG-VSEQNVNSVVADVTTDAGQDEILSTTL----GKFGKLDILVNNAG----------QSIESYDATLNLNLRSVIALTKKAVPHLSST-KGEIVNISSIASGLHA-TPDFPYYSIAKAAIDQYTRNTAIDLIQHGIRVNS-ISPGLVATGF-------YSTMATMKECVPAGVMGQPQDIAEVIAFLADRKTSSYIIGHQLVVDGGSS
General information:
TITO was launched using:
RESULT:
Template:
1SPX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164287 for 1870 contacts (-87.9/contact) +
2D Compatibility (PS) -24001 + (NN) -13482 + (LL) 2240
1D Compatibility (HY) -2400 + (ID) 2800
Total energy: -204730.0 ( -109.48 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_1SPX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SPX-query.scw
PDB file :
Tito_Scwrl_1SPX.pdb
: