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



Input alignment information:
Query sequence----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTNKKNLGIGGIIVLLIAAYLGLDLSGHKNNPTPSS--IPVNQRTETTFSNDGVDTIKAAYE---RRQSNVQVQG---SGRVKAILREDNDGSRHQ-KFILVLKNG----LSILVAHNIDLAP------KIEDLRKGDIVEFNGEYEYNEKG-----------GVLHWTHHDPQNRHENGWLKHNGRIYQ--
5CYL Chain:A ((4-364))NEVALNCSFDNGKGLPWRVVNELTSGTAKGTVLFARPVSLFLNYKPQASQEAHELVIGGNWSGVGYPGPYGTVASDVKGIGYRISVDAQDGVKRVIPVDNQPHALDKRVTSFSGSTTSDYLQELVLTVDPGELPAGDLKVTSVSGSATLNLWAVDRLKGEASIGSVLAVPADNYPTGVCRKPYSLIGPASIAIGG---------------GPPPPPIPKKCKVEVGREINVKLGSVALKNFPRVNDTSTERSFDISLSECAALAKPEIAFRDKYVSAQQADPTILSLKSGGAAGFGIVVKNGLDQQRIRFDGTPYPMRRVGDSADLPLSAAYIRIGAEGELKAGVADGAAEFTFTFPSDNKVDGIVNFSGNITELE


General information:
TITO was launched using:
RESULT:

Template: 5CYL.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 : 600 23499 39.17 162.06
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.57

3D Compatibility (PKB) : 39.17
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.57
QMean score : 0.358

(partial model without unconserved sides chains):
PDB file : Tito_5CYL.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5CYL-query.scw
PDB file : Tito_Scwrl_5CYL.pdb: