Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLGNYSSATEFFLLGFPGSQEVCRILFATFFLLYAVTVMGNVVIIITVCVDKCLQSPIYFFLGHLCVLEILITSTAVPFMLWGLLLPSTQIMSLTACAA-QLYLYLSLGTLELALMGV-----MAVDRYVAVCNPLRYNIIMNSSTFIWVIIVSWVLGFLSEIWPVYATFQLTFCKSSVLDHFYCDRGQLLKVSC--EDTLFREFILFLMAVFIIIGSLIPTIVSYTYIISTNLKIPSASGWRKSFSTCASHFTYVVIGYGSCLFLYVKPK
3PWH Chain:A ((19-179))
-----------------------------------LAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIPFAI---------TISTGFCAACHGCLFIACFVLVLAQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQP--------GCGEGQ---VACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFAAARRQLKQMESQPLPGERARSTLQKEVHAAKSAAIIAGLF
General information:
TITO was launched using:
RESULT:
Template:
3PWH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136280 for 954 contacts (-142.9/contact) +
2D Compatibility (PS) -14366 + (NN) -1106 + (LL) 4244
1D Compatibility (HY) -14000 + (ID) 2200
Total energy: -163708.0 ( -171.60 by residue)
QMean score : 0.235
(partial model without unconserved sides chains):
PDB file :
Tito_3PWH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PWH-query.scw
PDB file :
Tito_Scwrl_3PWH.pdb
: