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



Input alignment information:
Query sequenceMDMNEHRNRRLKLIMISATFGGLLFGYDTGVINGALPFMARP------DQLD------LTPVTEGLVTSILLLGAAFGALLCGRLADRYGRRKMILNLSFLFFLASLGTALA---PNVFIMAVFRFLLGLAVGGASAMVPAFLAEMAPHEKRGRMVTQNELMIVGGQFLAYVFNAILGVTMANTGHVWRYMLVICAVPAIMLFASMLKVPESPRWLISK-GKNSEALRVLKQIREDKRAEAECREIQEAVEKDTALEKASLKDF-STPWLRRLLWIGIGVAIVNQITGVNSIMYYGTQILKESGFGTKAALIANIGNGLISVIAVIFGIWLVGKVRRRPILLIGLAGTTTALLLIAIFSIVLDGSMALPYVVLSLTVLFLAFMQGCVGPVTWLVIAEIFPQRLRGLGSGISVFFLWILNFVIGFAFPILLSSVGLSFTFFIFVALGVLAIGFVYKFMPETKGRTLEELEEHFRSRHDHNTPEQSVIEV
4PYP Chain:A ((17-455))---------------GGAVLGSLQFGYNTGVINAPQKVIEEFYTQTWVHRYGESILPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSI--M-GNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQ--QPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGP-YVFIIFTVLLVLFFIFTYFKVPET----------------------------


General information:
TITO was launched using:
RESULT:

Template: 4PYP.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 : 2133 -215247 -100.91 -510.06
target 2D structure prediction score : 0.71
Monomeric hydrophicity matching model chain A : 0.77

3D Compatibility (PKB) : -100.91
2D Compatibility (Sec. Struct. Predict.) : 0.71
1D Compatibility (Hydrophobicity) : 0.77
QMean score : 0.428

(partial model without unconserved sides chains):
PDB file : Tito_4PYP.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4PYP-query.scw
PDB file : Tito_Scwrl_4PYP.pdb: