Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAINIIEYNRSYKEELIEFILSIQKNEFNIKIDRDDQPDLENIEHNYLNSGGQFWLAINNHQNIVGTIGLIRL----DNNMSALKKMFVDKGYRNLKIGKKLLDKVIMTCKEQNIDGIYLGTIDKFISAQYFYSNNGFREIKRGDLPSSFPKLDVDNRFYYRNLKD
3LD2 Chain:A ((34-192))
-SMKISPMLLSDIEQVVELENKTWSEQNTPVPLPV--ASKDQIIQKFE-SNTHFLVAKIK-DKIVGVLDYSSLYPFPSGQHIVTFGIAVAEKERRKGIGRALVQIFLNEVKS-DYQKVLIHVLSSNQEAVLFYKKLGFDLEARLTKQFFLKGQYVDDLIYSYDLE-
General information:
TITO was launched using:
RESULT:
Template:
3LD2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52014 for 1114 contacts (-46.7/contact) +
2D Compatibility (PS) -16494 + (NN) -7431 + (LL) 260
1D Compatibility (HY) -5600 + (ID) 1400
Total energy: -82679.0 ( -74.22 by residue)
QMean score : 0.427
(partial model without unconserved sides chains):
PDB file :
Tito_3LD2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LD2-query.scw
PDB file :
Tito_Scwrl_3LD2.pdb
: