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


Input alignment information:
Query sequenceMENRQEVQELTLEEVMGDRFGRYSKYIIQERALPDIRDGLKPVQRRILFAMNKDGNTYDKGFRKSAKSVGNIMGNYHPHGDSSIYEAMVRMSQDWKLREVLIEMHGNNGSMDGDPPAAMRYTEARLSKLSGEMLADIEKETVDLVWNFDDTEKEPTVLPARYPNLLVNGSTGISAGYATEIPTHNLAEVIDGTIYMIDHPQASLEKLMEYIPGPDFPTGGILQGKDEIKKAYETGRGKVILRSKTKIEAMKGNKQQIVITEIPYEVNKATLVKKMDEIRLNKKIDGIAEVRDESD-RTGLQIVVELKKDANAQGILNYLFKNTELQINYNFNMVAIDHMTPHQVGLKDILRSYIEHRKQVITKRSQFDLAKAQKRQHIVEGLMKALSILDEVIATIRESKDKKDAKKNLVDVFQFTEEQAEAIVTLQLYRLTNTDITELQKESESLIAQITELNKILSNDKELFSVMKKELREVKKNYSSARLTTIEDEIEEIKIDTQVLVAQEDVIVSVTREGYVKRTSLRSYSASKPEEIGMREGDYLLYSGELSTLDHVLLITNKANVIYRPVHELPDLKWKDAGEHISQTISNLSVDESILAVFPYQKIQAEKTFVFISKNGLIKQTRMTEFEPWRTYKSRPLSCMKLKAEEDELIAVYLKEDQPGLDVFLVTHQGMGLRYPLTDVPVVGAKAAGVKSMNLKDGDRIINGLLVLAEGDTPIVIVTQRGAVKRMLAQEISQTSRAKRGVTVMRELKKNPHRIIYMSEGRSKEITLMNQKGQQLTIDPTDFPIGDRTSNGSFAMDEKKGGEVIEVIDAPEIFIES
5NPP Chain:B ((210-690))------INERNITSEMRESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTPDKSYKKSARIVGDVMGKYHPHGDSSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDGAAAMRYTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNLLANGASGIAVGMATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFPTAGLILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRIVVTEIPFQVNKARMIEKIAELVRDKKIDGITDLRDETSLRTGVRVVIDVRKDANASVILNNLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQKTVVRRRTQYNLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKLSEKQAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETILADEEVLLQLVRDELTEIRDRFGDDRRTEIQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 5NPP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2290 -24228 -10.58 -50.47
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain B : 0.72

3D Compatibility (PKB) : -10.58
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.72
QMean score : 0.526

(partial model without unconserved sides chains):
PDB file : Tito_5NPP.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5NPP-query.scw
PDB file : Tito_Scwrl_5NPP.pdb: