Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMPNVALFKQDGSQNGEITLNEEIFGIEPNESVVYDAIVMQRASLRQGTHAVKNRSAVRGGGRKPWRQKGTGRARQGSIRSPQWRGGGVVFGPTPRSYSYKLPKKVRRLAMKSVLSEKVAENNLVAIEGLNFDAPKTKEFKQVLANLSI-DSKVLVVL---EKGNDFAALSARNLPNVSVVTSDN---------------VSVLDVVSNTKVLATQTALTQIEEVLA
1DMG Chain:A ((3-225))---VDLLNVKGEKVGTLEISDFVFNIDPNYDVMWRYVDMQLS-----------------------------------------------------DWSKKLNKKMKKLALRSALSVKYRENKLLVLDDLKLERPKTKSLKEILQNLQLSDKKTLIVLPWKEEGYMNVKLSGRNLPDVKVIIADNPNNSKNGEKAVRIDGLNVFDMLKYDYLVLTRDMVSKIEEVLG


General information:
TITO was launched using:
RESULT:

Template: 1DMG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 542 -38550 -71.12 -255.29
target 2D structure prediction score : 0.72
Monomeric hydrophicity matching model chain A : 0.75

3D Compatibility (PKB) : -71.12
2D Compatibility (Sec. Struct. Predict.) : 0.72
1D Compatibility (Hydrophobicity) : 0.75
QMean score : 0.560

(partial model without unconserved sides chains):
PDB file : Tito_1DMG.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1DMG-query.scw
PDB file : Tito_Scwrl_1DMG.pdb: