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



Input alignment information:
Query sequenceMTNTLDVLKARASVKEYDTNAPISKEELTELLDLATKAPSAWNLQHWHFTVFHSDESKAELLPVAYNQKQIVESSAVVAILGDLKANENGEEVYAEL-ASQGYITDEIKQTLLGQINGAYQSE--QFARDSAFLNASLAAMQLMIAAKAKGYDTCAIGGFNKEQFQKQFDISERYVPVMLISIGKAVKPAHQSNRLPLSKVSTWL
3GAG Chain:A ((3-204))MNDYLNFLDGRVSVRRFDPDAVLPNDLIKDMLEHASYAPSGNNFQPWRVVVVKNKNKQEDLKKLAALQPQVATASAVFLLFGDENAYDL--TWWQEFHVQKGIITKDEAAARAERIRQYFDLHPEDKETQGLRLDVGLFAMNLMQVVRVYGYDSVPMRGVDFDAIKTYLDMPNGWEPILMLPVGKALQAGNPHVRKSVAEFAEI-


General information:
TITO was launched using:
RESULT:

Template: 3GAG.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 : 860 -56226 -65.38 -282.54
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain A : 0.79

3D Compatibility (PKB) : -65.38
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.589

(partial model without unconserved sides chains):
PDB file : Tito_3GAG.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3GAG-query.scw
PDB file : Tito_Scwrl_3GAG.pdb: