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


Input alignment information:
Query sequenceMAETHTAIVFFAGDRAYKVKKAVDLGFVDYTDRQARRAACVREVALNRRFAPDVYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWEASFEQVRATTEGGSGFDGVPEVQRLVRRYLAGREALFDSRIEQRRVVDGHGDLLAEDIFCLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRLGVTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAARLSTRSPGPSDADLGVADALAAREPPWPDA--VVVDTSGPLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP
1SHK Chain:A ((1-173))---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTEPIFMVG-ARGCGKTTVGRELARALGYEFVDTDIFMQHTSG---MTVADVVAAEG-------WPGFRRRESEALQAVATPNRVVA-TGGGMVLLEQNRQFMRAHG----TVVYLFAPAEELALRLQI--------AEEMEAVLREREALYQDVAHYVVDATQPPAAIVCELMQTMRLPAA------------------------


General information:
TITO was launched using:
RESULT:

Template: 1SHK.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 : 776 -64589 -83.23 -414.03
target 2D structure prediction score : 0.71
Monomeric hydrophicity matching model chain A : 0.59

3D Compatibility (PKB) : -83.23
2D Compatibility (Sec. Struct. Predict.) : 0.71
1D Compatibility (Hydrophobicity) : 0.59
QMean score : 0.163

(partial model without unconserved sides chains):
PDB file : Tito_1SHK.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1shk-query.scw
PDB file : Tito_Scwrl_1SHK.pdb: