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



Input alignment information:
Query sequenceMPAVPHSSLNPVLIQLEQVSVHRDQRDILKKVDFALHENEIVTLIGPNGAGKSTLIKVLLGILKPSSGRVISNK-----------KLKMAYVPQKFNPSHSLPLRVQDLLDLEKCS--PALRQEIIQDTGIA-----------KLQQSKVQQLSGGERQRVLLARALLRKPDILVLDEPMQGLDIQSEAELYEYVRSLPERYGCAILIVSHDLQWVMQGTQRVVCLN-KHICCSGLPESIQQHPEYQAIFGTHRVFYQHHHDHCAHGDAAHPCPHNNRPHIHPEPEA
3NHB Chain:A ((50-277))---------QKGRIEFENVHFSYADRETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVL---FNDTIADNIRYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVC--ANRTTIVVAHRLSTVV-NADQILVIKDGCIVERGRHEALLS---------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3NHB.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 : 993 -51401 -51.76 -254.46
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.72

3D Compatibility (PKB) : -51.76
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.72
QMean score : 0.531

(partial model without unconserved sides chains):
PDB file : Tito_3NHB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NHB-query.scw
PDB file : Tito_Scwrl_3NHB.pdb: