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



Input alignment information:
Query sequenceMRGYVQMEKSEGSLRRKSMNPVSPLFEKIDASIEKKANLFENSFSRYAVRAVLACLFLTLGTAVAFA----IAMKGEDIAHGLGKILYAFMFSWGLVMILYMNAELGTSNMLYMTVGVFRQRLALSKAAKILFACIFFNMIGGILCGFLISMTTPFQDLTLDNFMLESIAVKLAKPSATILVE---GMFANIVVNTAVLISMRMKEDVGKVITVVFIIFIFAFLGYEHVIANF---P-AFTLTYFA--SHGQMDGMTVSN---------VLHNLFFALAGNYIGGGLVMGLGYAWLNQSKSSYVD
3KLY Chain:A ((22-275))---------------------------------------GEGKAKKAAYKSFLLAISAGIQIGIAFVFYTVVTTGAHDMPYGVTKLLGGLAFSLGLILVVITGGELFTSSVLIL-VAKASGKISWKELVRNWTVVYFGNLCGSIILVFIMLATRQFME-DGGQLGLNAMAISQHKLHHTFLQAFALGLMCNILVCLAVWMTFSARSLTDKVMVLILPVAMFVSSGFEHCIANMFQVPMAIGIKYFAPESFWAMTGANIAQYADLNFVNFIVNNLIPVTLGNIVGGGVFVGMWY-WL---------


General information:
TITO was launched using:
RESULT:

Template: 3KLY.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 : 999 -141777 -141.92 -611.11
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain A : 0.73

3D Compatibility (PKB) : -141.92
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.73
QMean score : 0.204

(partial model without unconserved sides chains):
PDB file : Tito_3KLY.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3KLY-query.scw
PDB file : Tito_Scwrl_3KLY.pdb: