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



Input alignment information:
Query sequence---------------------------MMDFLSKTPEPPYYAVIFSSVKSENDTGYGETAERMVSLAA---DQPGFLGVESVREADGRG----ITVSYWDSMDAINHWRHHTEHQ------AAKEKGRSVWYESYAVRVAKVDRQRLFQENTND-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3A16 Chain:A ((21-373))MESAIGEHLQCPRTLTRRVPDTYTPPFPMWVGRADDALQQVVMGYLGVQFRDEDQRPAALQAMRDIVAGFDLPDGPAHHDLTHHIDNQGYENLIVVGYWKDVSSQHRWSTSTPIASWWESEDRLSDGLGFFREIVAPRAEQFETLYAFQEDLPGVGAVMDGISGEINEHGYWGSMRERFPISQTDWMQASGELRVIAGDPAVGGRVVVRGHDNIALIRSGQDWADAEADERSLYLDEILPTLQSGMDFLRDNGPAVGCYSNRFVRNIDIDGNFLDLSYNIGHWASLDQLERWSESHPTHLRIFTTFFRVAAGLSKLRLYHEVSVFDAADQLYEYINCHPGTGMLRDAVTIAEH


General information:
TITO was launched using:
RESULT:

Template: 3A16.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 : 326 10490 32.18 92.01
target 2D structure prediction score : 0.46
Monomeric hydrophicity matching model chain A : 0.56

3D Compatibility (PKB) : 32.18
2D Compatibility (Sec. Struct. Predict.) : 0.46
1D Compatibility (Hydrophobicity) : 0.56
QMean score : 0.374

(partial model without unconserved sides chains):
PDB file : Tito_3A16.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3A16-query.scw
PDB file : Tito_Scwrl_3A16.pdb: