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



Input alignment information:
Query sequence--MDKLLKIMQELREK---CPWDQEQTSMSLTKYAIEEAYEVEAAIRQGDINEIRNELGDLLLQVVFQSQMFSEQGAFNFQDVVEAISEKLVRRHPHVFQADQFNNLIPEQVSELWKQIKQQEKQGKPQ-SRLDEIKHG-PALSQAQEIQKNVAKVGFDFETVEDAYTKLEEELDEFKQALKNQ--NSDEIQDEFGDCLFSLVNVGRKLGISSESSLLSTIHKFRSRFAFIEEQAIKQQRTLEDMTLSEMDELWNQAKRQLKSGEKPHAIQHEILEK
3CRA Chain:A ((2-260))NQIDRLLTIMQRLRDPENGCPWDKEQTFATIAPYTLEETYEVLDAIAREDFDDLRGELGDLLFQVVFYAQMAQEEGRFDFNDICAAISDKLERRLAR------------------WEQIKTEERAQKAQHSALDDIPRSLPALMRAQKIQKRCANVGFDWTTLGPVVDKVYEEIDEVMYEARQAVVDQAKLEEEMGDLLFATVNLARHLGTKAEIALQKANEKFERRFREVERIVAARGLEMTE----TMEEVWQQVKRQE----------------


General information:
TITO was launched using:
RESULT:

Template: 3CRA.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 : 508 30489 60.02 132.56
target 2D structure prediction score : 0.83
Monomeric hydrophicity matching model chain A : 0.80

3D Compatibility (PKB) : 60.02
2D Compatibility (Sec. Struct. Predict.) : 0.83
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.450

(partial model without unconserved sides chains):
PDB file : Tito_3CRA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3CRA-query.scw
PDB file : Tito_Scwrl_3CRA.pdb: