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



Input alignment information:
Query sequenceMKIKKFTAASMQEAALLIRKELGNEAVILNSKKIKKRKWFGLVNKPAVEVIAVLDQDFLEKKTPQKAAEPKQTLKTPVSSPKIEERTYPPQIPAQQELGDFSAYQSVLPEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADK-WQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEF-----QQAKEL-FSEYDHVFVDTAGRNFKDPQYIDELKETIPFE------SSIQSFLVLSATAKYEDMKHIVKRFS-SVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR
1VMA Chain:A ((46-305))-------------------------------------------------------------------------------------------------------------ETREELEELLIQADVGVETTEYILERLEEKDG--------DALESLKEIILEILNFDTKLNVPPEPPFVIMVVGVNGTGKTTSCGKLAKMFV-DEGKSVVLAAADTFRAAAIEQLKIWGERVGATVISHSEGADPAAVAFDAVAHALARNKDVVIIDTAGRLHTKKNLMEELRKVHRVVKKKIPDAPHETLLVIDATTGQNGLVQA-KIFKEAVNVTGIILTKLDGTAKGGITLAIARELGIPIKFIGVGEK-AEDLRPFDPEAFVEVLLS


General information:
TITO was launched using:
RESULT:

Template: 1VMA.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 : 1298 -146796 -113.09 -596.73
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain A : 0.68

3D Compatibility (PKB) : -113.09
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.68
QMean score : 0.520

(partial model without unconserved sides chains):
PDB file : Tito_1VMA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1VMA-query.scw
PDB file : Tito_Scwrl_1VMA.pdb: