Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFHIRKATNSDAEAIQHVAITSWHHTYQDL-IPGDVQDDFLERFYNVETLHNRIS-ATPFAVVEQADKVIGFANFIEL----EKGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHVP-LPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDF--YGYPLETIRFNLNHHAFEEE
3LD2 Chain:A ((34-192))
-SMKISPMLLSDIEQVVELENKTWSEQNTPVPLPVASKD----------QIIQKFESNTHFLVAKIKDKIVGVLDYSSLYPFPSGQHIVTFGIAVAEKERRKGIGRALVQIFLNEVKSDYQKVLIHVLSSNQEAVLFYKKLGFDLEARLTKQFFLKGQYVDDLIYSYDLE-----
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) -68677 for 1060 contacts (-64.8/contact) +
2D Compatibility (PS) -16039 + (NN) -1692 + (LL) 1672
1D Compatibility (HY) -8800 + (ID) 1400
Total energy: -94936.0 ( -89.56 by residue)
QMean score : 0.321
(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
: