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



Input alignment information:
Query sequenceMLYFYSEKVYNYSKKISGGFIMAQRYQNIMVAIDGSKEADLAFVKGVHSALRNDAKLTIVHVIDTRALQSVS-----TFDAEVYEELQVDAESLMKEYEKRAKDAGVADVHIVIEMGNPKTLLARTIPDAEEVDLILVGATGLN-AFERLLVGSSSEYILRHAKVDLLVVREQEKTL------------------------------------------------------------------------------------------------------------------
3AB8 Chain:A ((1-268))--------------------------MRILLATDGSPQARGAEALAEWLAYKLSAPLTVLFVVDTRLARIPELLPVPVLRTELERALALRGEAVLERVRQSALAAGV-AVEAVLEEGVPHEAILRRARAA---DLLVLGRSGEAHGDGFGGLGSTADRVLRASPVPVLLAPGEPVELEGALLGYDASESAVRALHALAPLARALGLGVRVVSVHEDPARAEAWALEAEAYLRDHGVEASALVLGGDAADHLLRLQGPGDLLALGAPVRRLVFGSTAERVIRNAQGPVLTAR


General information:
TITO was launched using:
RESULT:

Template: 3AB8.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 : 683 -12058 -17.65 -85.51
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain A : 0.60

3D Compatibility (PKB) : -17.65
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.60
QMean score : 0.656

(partial model without unconserved sides chains):
PDB file : Tito_3AB8.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3AB8-query.scw
PDB file : Tito_Scwrl_3AB8.pdb: