Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSEKIDYLARLWIMEAAAKIKQSFKETLDIDVKSGRNDLVTNMDKETEAFFVQQIKDHFPDHCLFGEEGMASDVTDLDGVVWILDPIDGTLNFVEQQRDFAISLAVYEDGIGRLAYIYDVTRDELYFGEKGKGATVNGRTIPKLDPAIDLKDTLLIANLSVTRKFPTMWEAVKVSRGLRLHGAASLEYMDVATGRAGAYLSANLAPWDIAAGKIIVEELGGKVTRINGEKINMLEKGSSIVASPKIHQTLLDNYLP
4I3E Chain:B ((13-258))
---QQIDKLICSWLKQIDNVIPQLIME-MTTETKRHRFDLVTNVDKQIQQQFQQFLATYFPEHQLLAEEKSNAMITNEINHLWIMDPIDGTANLVKQQEDYCIILAYFYEGKPMLSYVYDYPHKKLYKAIRGEGAFCNGIKMEE-PPSLKLEDAIISFNAQVMN-LDTVQDLFDASFSYRLVGACGLDSMRVAKGQFGAHINTNPKPWDIAAQFLFAELLNLKMTTLDGKAIDHLKGAPFIISNKACHETVL-----
General information:
TITO was launched using:
RESULT:
Template:
4I3E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121074 for 2007 contacts (-60.3/contact) +
2D Compatibility (PS) -26791 + (NN) -13162 + (LL) 368
1D Compatibility (HY) -16800 + (ID) 4450
Total energy: -181909.0 ( -90.64 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_4I3E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4I3E-query.scw
PDB file :
Tito_Scwrl_4I3E.pdb
: