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



Input alignment information:
Query sequenceMTASQQQIQLARRPQGIPVHEDFRFET-----IPVPEPKQGEVLVKTLYVSVDPYMRGRM--QDTKSYVEPFALDKALSGGVIAEVVSDGNH--LKKGDIVIGNLSWQEFSAVSE-SALRKIDTSLAPASAYLGILGMTGLTAYFGLLDIGRPKEGETVVVSGAAGAVGSTVGQIAKIKGARVVGIAGSDEKIDYLKQELQFDEAINYKTADDIQKALQNACPDGVDVYFDNVGGPISDAVMNLLNEFARIPVCGAISSYNAESEADDMGPRVQSKLIKTKSLMQGFIVSDYSDRFSEGAKQLAEWLKAGKLHYEETITEGFENIPDAFLGLFKGENKGKQLIKVSDPS
4NH4 Chain:B ((21-349))-------------PEGAPKETDMELVTTGTIRLRVPEGSNA-VLLKNLYLSCDPYMRMRMTKHEEASYVDDFVPGAPITGFGVGKVV-DSSHPDFKTGDYVWGLIGWEEYSLITKPQGLFKIHHTEIPLSYYTGILGMVGLTAYVGFYDICSPKKGERVFVSAAAGAVGQIVGQFAKQFGCYVVGSAGSDEKVNLLKTKFGFDEAFNYKKEPDLTKALKRYFPEGIDIYFENVGGPMLEAVLHNMRIKGRIAACGMISQYNLEKPE---GVHNLFLIVGKRIRLEGFLVFDHYGSYPEFEEKVVQLIKEEKIKYLEDIVEGLENAPAALIGLFEGRNVGKQVVVVS---


General information:
TITO was launched using:
RESULT:

Template: 4NH4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1792 -193551 -108.01 -608.65
target 2D structure prediction score : 0.57
Monomeric hydrophicity matching model chain B : 0.82

3D Compatibility (PKB) : -108.01
2D Compatibility (Sec. Struct. Predict.) : 0.57
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.533

(partial model without unconserved sides chains):
PDB file : Tito_4NH4.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4NH4-query.scw
PDB file : Tito_Scwrl_4NH4.pdb: