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



Input alignment information:
Query sequenceMTGRFTRPQWSLATGRHYASSGHSAASSCSTHTLKVNQTESYRPGPDDSGTYSANLRDSPSRTMSNTSVSVSPMDSSSPQEWGRSFRLFNSCRFLTSASGSRQRDGSIGQLYRSTFLHGRQGRGSSVGPEAERPLLGSSMIHQPQSSFFGAFSGQGGRYSFWPPDVNASGVLTAASPYAASNPSAPLSTASPLLGSSRFLGTGISPRGLADGHAVHRVVASCAMGSVVCTVSPGQNELPLAMNALRTHLALRGKTIIQGDAAHPLEIRKGPLIGAGGFAKVFAGVDTVRGELVAIKEIDISGVDDVKALNAIEAEFALLKSLHHPNIVSYSLFEHSKSQKVCRIAMELLAGDSTLHLLQKFGPLTEAVLRIVARSVLRAIRFIHKEGIFHRDIKPANILVSHRGEVKLCDFGCSKRVSELNKAASCIIGTPVYMAPEFIKGEA-NHKADIWSMACALFELSTGLLPWYHSGVKDNLPLMFYITTTSESPMVLPSPEAKSEFSAEFLSFMELCFTRNVANRPEADDLLKHPWITGSRLAPVPNLPSAVLSLHQESSAVFRAFGSPGKSSTFSSPRDSAADRDDMSFNGSDGLQKSVSTTPTLNPAEEEMACQQELETVAAATALELCSLLVCSLEIPPRTAQETVTGEVGSGTGDTSPSLTRTFSIHSPALSHRGGGVSASVAEFLSPVYTPEHSMVHENFYYSQVPLGASAGNFVLPPGLDLDGAPPQQQYLRINEEGNLDMVYLPGDEMEDSVHGRSTFGDSVYGSFHAGRIVSPARNSSFSRGTLSPRVAAGPNTVGVADGPFSPLLGISGVFSRRESPSRGGPSVPSSPQGIPAPPLLYRPGPSTTFVSQPSSHTGSMHTSHVSPTSTSKAGSNVDAATPHTPRSNSPTSTQRSESFRGLPEKLKTHADGKLHMSFSVNTAPGCAVNVELNVDVADVQCKVVDNQPNFVVAFTDDVRSQIANKIKEVAEHSSSGKPAQTAGTHASSLSPLCGMEARRSVSAGGGHFYNSPLFAAASKATPRPLSRVSTGSAQRLVAVPREALAGYSSYSGEEGSDVDSHTSSPVTAGWNERVGK
4XBR Chain:A ((93-351))-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RSYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRKQ---QRRELLFNEVVIMRDYQHENVVEMYNSYL--VGDELWVVMEFLEGGALTDIVTHT-RMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILLTHDGRVKLSDFGFCAQVSKEVPRRKSLVGTPYWMAPELISRLPYGPEVDIWSLGIMVIEMVDGEPPYFNEPPLK---AMKMIRDNLP-P----RLKNLHKVSPSLKGFLDRLLVRDPAQRATAAELLKHPFLAKAG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4XBR.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 : 1302 -123958 -95.21 -480.46
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain A : 0.57

3D Compatibility (PKB) : -95.21
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.57
QMean score : 0.443

(partial model without unconserved sides chains):
PDB file : Tito_4XBR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4XBR-query.scw
PDB file : Tito_Scwrl_4XBR.pdb: