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



Input alignment information:
Query sequenceMAEKILVEHLVKKYGDNTVLNDINVSINEGDVVCIIGPSGSGKSTFLRCLNRLEEPSDGEIIIDGAHLMDKSTDINLVRQHIGMVFQHFNLFPHLSILENIILAPMDLKKESREEAEKKAIKLLQTVGLEDKKDMYPEMLSGGQKQRVAIARALAMNPDIMLFDEPTSALDPEMVGDVLNVMKKLAEQGMTMVIVTHEMGFAKEVANRVMFIDDGNFLEDGTPQQIFENPQNERTKDFLNKVLNI
4YMS Chain:J ((2-240))----IFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKIL--


General information:
TITO was launched using:
RESULT:

Template: 4YMS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1241 -162778 -131.17 -681.08
target 2D structure prediction score : 0.69
Monomeric hydrophicity matching model chain J : 0.91

3D Compatibility (PKB) : -131.17
2D Compatibility (Sec. Struct. Predict.) : 0.69
1D Compatibility (Hydrophobicity) : 0.91
QMean score : 0.618

(partial model without unconserved sides chains):
PDB file : Tito_4YMS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4YMS-query.scw
PDB file : Tito_Scwrl_4YMS.pdb: