Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIGQVLSNDDWNRYKKEGFLVTKFGSLIDYVINWARSGSLWPMTFGLACCAVEMMHTASSRY-DLDRYGIMFRASP---------------------RQADVMIVAGTLTNKM--------------AAALRKVYDQMADPKYVVSMGSCANGGGYYHYSYS--VVRGCDRIV------PVDIYVPGCPPTAEALLYGMLCLQNKIKRTQNI
2WPN Chain:A ((41-213))
-----------------------------------RPPVFWLQGQGCTGCSVTLLNSVHPSIADVLLKVISLEFHPTVMAWEGEHAIEHMRKVAEKFKGKFFLVIEGSVPVEADGKYCIIGEANHHEISMVDALKEFGPNAAAVLAVGTCAAYGGIPAAEGSETGATAVSKFLGDNGIKTPVVNIPGCPPHPDWIVGTVVLALDAIKKNGLE
General information:
TITO was launched using:
RESULT:
Template:
2WPN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86900 for 1034 contacts (-84.0/contact) +
2D Compatibility (PS) -13815 + (NN) -7635 + (LL) 2356
1D Compatibility (HY) -6800 + (ID) 1150
Total energy: -113944.0 ( -110.20 by residue)
QMean score : 0.309
(partial model without unconserved sides chains):
PDB file :
Tito_2WPN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WPN-query.scw
PDB file :
Tito_Scwrl_2WPN.pdb
: