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



Input alignment information:
Query sequenceMSGRRELCTPLRTIMTPGPVEVDPRVLRVMSTPVVGQFDPAFTGIMNETMEMLRELFQTKNRWAYPIDGTSRAGIEAVLASVIEPEDDVLIPIYGRFGYLLTEIAERYGANVHMLECEWGTVFDPEDIIREIKKVKPKIVAMVHGETSTGRIHPLKAIGEACRTEDALFIVDAVATIGGCEVKVDEWKIDAAIGGTQKCLSVPSGMAPITYNERVADVIAARKKVERGIATQADRAALSGNRPITSNYFDLSQLEDYWSERRLNHHTEATTMLYALREGVRLVLEEGLETRFERHRHHEAALAAGIKAMGLRLFGDDSCKMPVVTCVEIPGGIDGESVRDMLLAQFGIEIASSFGPLAGKIWRIGTMGYSCRKENVLFVLAGLEAVLLRHNAGIEAGKALQAALDVYENAGRQAAV
3NNK Chain:A ((8-409))-----QLNPPSRLLMGPGPINADPRVLRAMSSQLIGQYDPAMTHYMNEVMALYRGVFRTENRWTMLVDGTSRAGIEAILVSAIRPGDKVLVPVFGRFGHLLCEIARRCRAEVHTIEVPWGEVFTPDQVEDAVKRIRPRLLLTVQGDTSTTMLQPLAELGEICRRYDALFYTDATASLGGNPLETDVWGLDAVSAGMQKCLGGPSGTSPITLSARMEEAIRRRKCVEEGIRTDAHRDG--DEEMIYSNYFDLGMVMDYWGPERLNHHTEATTALFGARECARLILQEGLDYGIARHKLHGDALVKGIQAMGLETFGDLKHKMNNVLGVVIPQGINGDQARKLMLEDFGIEIGTSFGPLHGKVWRIGTMGYNARKDCVMTTLSALEAVLNYLKFPTTQGAAMQAAWDHYRS-------


General information:
TITO was launched using:
RESULT:

Template: 3NNK.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 : 2361 -265869 -112.61 -661.37
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain A : 0.85

3D Compatibility (PKB) : -112.61
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.85
QMean score : 0.558

(partial model without unconserved sides chains):
PDB file : Tito_3NNK.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NNK-query.scw
PDB file : Tito_Scwrl_3NNK.pdb: