Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MILDYNKLK-QETKAIVVDIIERSALKKGQIFVLG----LSSSEVSGGLIGKNSSSEIGEIIVEVILKELHSRGIYLAVQGCEHVNRALVVEAELAERQQLEVVNVVPNLHAGGSGQVAAFKLMTSPVEVEEIVAHAGIDIGDTSIGMHIKRVQVPLI--PISR-ELGGAHVTALASRPKLIGGARA----GYTSDPIRKF--
4S1A Chain:A ((4-197))
ALYLTGWTVGSDERLQHYVDLANRTEINAYVVDIKDDDGYVGYESNIPAVREIGAWKSKYN--VDKVLKTFHDNNIHVIGRLVCFKDPVLSSK-----KPELAVKSVNGGSWRDNHNLT-----WLDPYN--KDSWPYLIEIAKEAVEKGFDEIQFDYIRFPNKSMSFNTGGKEKHEIINEFLAYAREQLPGVVLSADVFGIIL
General information:
TITO was launched using:
RESULT:
Template:
4S1A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -44194 for 1286 contacts (-34.4/contact) +
2D Compatibility (PS) -17667 + (NN) 4757 + (LL) 2036
1D Compatibility (HY) -6000 + (ID) 1150
Total energy: -62218.0 ( -48.38 by residue)
QMean score : 0.213
(partial model without unconserved sides chains):
PDB file :
Tito_4S1A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S1A-query.scw
PDB file :
Tito_Scwrl_4S1A.pdb
: