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



Input alignment information:
Query sequenceMRSKKLWISLLFALTLIFTMAFSNMSAQAAGKSSTEKKYIVGFKQTMSAMSSAKKKDVISEKGGKVQKQFKYVNAAAATLDEKAVKELKKDPSVAYVEEDHIAHEYAQSVPYGISQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLNVRGGASFVPSETNPYQDGSSHGTHVAGTIAALNNSIGVLGVAPSASLYAVKVLDSTGSGQYSWIINGIEWAISNNMDVINMSLGGPTGSTALKTVVDKAVSSGIVVAAAAGNEGSSGSTSTVGYPAKYPSTIAVGAVNSSNQRASFSSAGSELDVMAPGVSIQSTLPGGTYGAYNGTSMATPHVAGAAALILSKHPTWTNAQVRDRLESTATYLGNSFYYGKGLINVQAAAQ
1Y3B Chain:E ((1-270))----------------------------------------------------------------------------------------------------------AQSVPYGVSQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLKVAGGASMVPSETNPFQDNNSHGTHVAGTVAALNNSIGVLGVAPSASLYAVKVLGADGSGQYSWIINGIEWAIANNMDVINMSLGGPSGSAALKAAVDKAVASGVVVVAAAGNEGTSGSSSTVGYPGKYPSVIAVGAVDSSNQRASFSSVGPELDVMAPGVSIQSTLPGNKYGAYNGTSMASPHVAGAAALILSKHPNWTNTQVRSSLENTTTKLGDSFYYGKGLINV-----


General information:
TITO was launched using:
RESULT:

Template: 1Y3B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1894 -166934 -88.14 -618.27
target 2D structure prediction score : 0.61
Monomeric hydrophicity matching model chain E : 0.84

3D Compatibility (PKB) : -88.14
2D Compatibility (Sec. Struct. Predict.) : 0.61
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.825

(partial model without unconserved sides chains):
PDB file : Tito_1Y3B.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1Y3B-query.scw
PDB file : Tito_Scwrl_1Y3B.pdb: