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



Input alignment information:
Query sequenceMENRQEVQELTLEEVMGDRFGRYSKYIIQERALPDIRDGLKPVQRRILFAMNKDGNTYDKGFRKSAKSVGNIMGNYHPHGDSSIYEAMVRMSQDWKLREVLIEMHGNNGSMDGDPPAAMRYTEARLSKLSGEMLADIEKETVDLVWNFDDTEKEPTVLPARYPNLLVNGSTGISAGYATEIPTHNLAEVIDGTIYMIDHPQASLEKLMEYIPGPDFPTGGILQGKDEIKKAYETGRGKVILRSKTKIEAMKGNKQQIVITEIPYEVNKATLVKKMDEIRLNKKIDGIAEVRDESD-RTGLQIVVELKKDANAQGILNYLFKNTELQINYNFNMVAIDHMTPHQVGLKDILRSYIEHRKQVITKRSQFDLAKAQKRQHIVEGLMKALSILDEVIATIRESKDKKDAKKNLVDVFQFTEEQAEAIVTLQLYRLTNTDITELQKESESLIAQITELNKILSNDKELFSVMKKELREVKKNYSSARLTTIEDEIEEIKIDTQVLVAQEDVIVSVTREGYVKRTSLRSYSASKPEEIGMREGDYLLYSGELSTLDHVLLITNKANVIYRPVHELPDLKWKDAGEHISQTISNLSVDESILAVFPYQKIQAEKTFVFISKNGLIKQTRMTEFEPWRTYKSRPLSCMKLKAEEDELIAVYLKEDQPGLDVFLVTHQGMGLRYPLTDVPVVGAKAAGVKSMNLKDGDRIINGLLVLAEGDTPIVIVTQRGAVKRMLAQEISQTSRAKRGVTVMRELKKNPHRIIYMSEGRSKEITLMNQKGQQLTIDPTDFPIGDRTSNGSFAMDEKKGGEVIEVIDAPEIFIES
4BUL Chain:A ((210-690))------INERNITSEMRESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTPDKSYKKSARIVGDVMGKYHPHGDSSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDGAAAMRFTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNLLANGASGIAVGMATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFPTAGLILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRIVVTEIPFQVNKARMIEKIAELVRDKKIDGITDLRDETSLRTGVRVVIDVRKDANASVILNNLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQKTVVRRRTQYNLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKLSEKQAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETILADEEVLLQLVRDELTEIRDRFGDDRRTEIQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4BUL.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 : 2284 -21172 -9.27 -44.11
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain A : 0.72

3D Compatibility (PKB) : -9.27
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.72
QMean score : 0.527

(partial model without unconserved sides chains):
PDB file : Tito_4BUL.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4BUL-query.scw
PDB file : Tito_Scwrl_4BUL.pdb: