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



Input alignment information:
Query sequenceMKKFPKKLLPIAVLSSIAFSSLASGSVPEASAQEKKKGNQDEIKNVIVLIGDGMGVSYTSAYRYLKDNKKTKVVEPTAFDQYLVGQQ-TTYPDDPEQNVTDSAAAATAMSAGIKTYNNAIAVDNDGSEAKTVLEAAKEKGKATGLVATSEITHATPASFGSHDHSRKNMNSIADDYFDEMVNGKHKIDVLLGGGKSNFDRKDRNLIKEFKKAGYSYVDDRKDMLKNKDSQVLGLFADGGLPKKIDRTKDIPSLKDMTNTAIKKLNKDKDGFFLMVEGSQIDWAGHDNDIVGAMSEMEDFEQAYKAAIDFAKKDKHTLVVATADHSTGGYSIGADGIYNWFSEPIK-AAKRTPDFMAEKIADGADVEKTLKTYIDQKKLALTKAEIQSVEEAAKSKEVLDIDNAIENIFNKRSHTGWTTGGHTGEDVPVYAYGPSSETFAGQIDNTEIAKNVFKALQYNIKINDK
3A52 Chain:A ((1-399))-------------------------------------------MGMIIMVGDGMGPAYTSAYRYFQDNPDTEEIEQTVFDRLLV-GMASTYPARESGYVTDSAASATALATGFKSYNGAIAVDINKRPLTTIMQMAKARGMSTGVAVTAQVNHATPAAFLTHNESRKNYEAIAADMLKS------DADVILGGGRKYFSEA---LVSQFSAKGYQHITELAQLDSITQPKVLGLFAEVQLPWVIDD-TDANTLSKLTQKSLDLLSQNEKGFVLLVEGSLIDWAGHNNDIATAMAEMQGFANAIEVVEQYIRQHPDTLLVVTADHNTGGLSIGANGEYQWDT-KLPKGISASPASIATHAIAADDWQAGVNQQLG---FDVNSTELQQLTNARMQ-GKSTLEVALKKIIDTRSYTGWTTSGHTGVDVQVFAMGPAADLFKGNQDNTHIAEKMMSLLPKV------


General information:
TITO was launched using:
RESULT:

Template: 3A52.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 : 2483 -157430 -63.40 -396.55
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain A : 0.79

3D Compatibility (PKB) : -63.40
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.494

(partial model without unconserved sides chains):
PDB file : Tito_3A52.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3A52-query.scw
PDB file : Tito_Scwrl_3A52.pdb: