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



Input alignment information:
Query sequenceMKKQRMLVLFTALLFVFTGCSHSPETKESPKEKAQTQKVSSASASEKKDLPNIRILATGGTIAGADQSKTSTTEYKAGVVGVESLIEAVPEMKDIANVSGEQIVNVGSTNIDNKILLKLAKRINHLLASDDVDGIVVTHGTDTLEETAYFLNLTVKSDKPVVIVGSMRPSTAISADGPSNLYNAVKVAGAPEAKGKGTLVVLNDRIASARYVTKTNTTTTDTFKSEEMGFVGTIAD-DIYFNNEITRKHTKDTDFSVSNLDELPQVDIIYGYQNDGSYLFDAAVKAGAKGIVFAGSGNGSLSDAAEKGADSAVKKGVTVVRSTRTGNGVVTPNQ--DYAEKDLLASNSLNPQKARMLLMLALTKTNDPQKIQAYFNEY
3ECA Chain:C ((1-326))-------------------------------------------------LPNITILATGGTIAGGGDSATKS-NYTVGKVGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDNVWLTLAKKIN--TDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKSVFDTLATAAKTGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFNQY


General information:
TITO was launched using:
RESULT:

Template: 3ECA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2020 -169127 -83.73 -523.61
target 2D structure prediction score : 0.72
Monomeric hydrophicity matching model chain C : 0.83

3D Compatibility (PKB) : -83.73
2D Compatibility (Sec. Struct. Predict.) : 0.72
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.539

(partial model without unconserved sides chains):
PDB file : Tito_3ECA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3ECA-query.scw
PDB file : Tito_Scwrl_3ECA.pdb: