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



Input alignment information:
Query sequenceMKIQGKHFVITGGGSGLGAATAEYLVKQGASVTLVDMNVEAGEQQAKHLGPKAGFVKLDVTDEATAEQFFKDVLVKHGHLHGLVNCAGIGPSAKVVGREGVHDLGLFAKTLNINVTGTFNMLRFAADAMSKNTVEEGEEDRGIIVNTASVAAFDGQIGQAAYSASKGAIVAMTLPIARELARHAIRIMTIAPGIMETPMLKGMPQNVQDALGQMVPYPSRLGKPEEFARLVAHIAENSYLNGEVIRLDGAIRMAAK
4PN3 Chain:A ((9-263))MQIENRVFLITGAGSGLGAAVSKMAVEAGAKVVLLDVNAEAGEAGAKALGASARFQRTDVASDTDGKAAIAAAIEAFSRIDVLVNCAGVAPGEKVLGREGAHKLETFTRTISINLIGTFNMLRLAAEAMAKNEPGQGGE-RGVIINTASVAAFDGQIGQAAYSASKGGVAAMTLPVARELARHGIRVMTIAPGIFKTPMMAGMPQEVQDALGASVPFPPRLGEPAEYAALVRHIVENQMLNGEVIRLDGALRMAAK


General information:
TITO was launched using:
RESULT:

Template: 4PN3.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 : 1415 -145365 -102.73 -570.06
target 2D structure prediction score : 0.72
Monomeric hydrophicity matching model chain A : 0.90

3D Compatibility (PKB) : -102.73
2D Compatibility (Sec. Struct. Predict.) : 0.72
1D Compatibility (Hydrophobicity) : 0.90
QMean score : 0.568

(partial model without unconserved sides chains):
PDB file : Tito_4PN3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4PN3-query.scw
PDB file : Tito_Scwrl_4PN3.pdb: