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



Input alignment information:
Query sequenceMELFKYMEKYDYEQLVFCQDEQSGLKAIIAIHDTTLGPALGGTRMWTYENEEAAIEDALRLARGMTYKNAAAGLNLGGGKTVIIGDPRKDKNEEMFRAFGRYIQGLN-----GRYITAEDVGTTVEDMDIIHDE---------TDYVTGISPAFGSSGNPSPVTAYGVYRGMKAAAKAAFGTDSLEGKTIAVQGVGNVAYNLCRHLHEEGANLIVTD-----------INKQSVQRAVEDFG-------ARAVDPDDIYSQDCDIYAPCALGATINDDTIKQLKAKVIAGAANNQLKETRHGDQIHEMGIVYAPDYVINAGGVINVADEL------YGYNAERALKKVEGIYGN-IERVLEISQRDGIPAYLAADRLAEERIERMRRSRSQFLQNGHSVLSRR
3AOE Chain:A ((70-423))-------------------------------HNTARGPAKGGVRY----HPEVTLSEVMALAGWMTIKNAAVGLPYGGGKGGIRVDPRKLSPGELERLTRRYTSEIGILLGPDRDIPAPDVNTGEREMAWMMDTYSMNVGRTVPGVVTGKPIALGGSLGRRDATGRGVF--ITAAAAAEKIGLQVEGARVAIQGFGNVGNAAARAFHDHGARVVAVQDHTGTVYNEAGIDPYDLLRHVQEFGGVRGYPKAEPLPAADFWGLPVEFLVPAALEKQITEQNAWRIRARIVAEGANGPTTPAAD-DILLEKGVLVVPDVIANAGGVTVSYFEWVQDFNSYFWTEEEINARLERVLRNAFEAVWQVAQEKKIPLRTAAYVVAATRVLEARALRGLY-----------


General information:
TITO was launched using:
RESULT:

Template: 3AOE.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 : 1786 43170 24.17 137.05
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain A : 0.71

3D Compatibility (PKB) : 24.17
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.71
QMean score : 0.490

(partial model without unconserved sides chains):
PDB file : Tito_3AOE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3AOE-query.scw
PDB file : Tito_Scwrl_3AOE.pdb: