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



Input alignment information:
Query sequenceMRKKVRKAVIPAAGLGTRFLPATKAQPKEMLPIVDKPAIQYIVEEAAESGIEDILIITGRNKRSIEDHFDRSAELEFNLREKGKTETLKEMQQIADLANIHYIRQKEPLGLGHAVLCAEHFIGDEP--FAVLLGDDIMVSETPALRQLMDVYDVYGTEVVGVQSVLPEDVSKYGI--INTSGSQGHVYEVNDLVEKPSPEEAPSEIAVMGRYVLNSSIFSVLKTIGRGAGNEIQLTDALREVCRK-EPIHARLLEGNRYDIGDKLGCFKASTEIGLMRPEMRSQLLAYLEDVIKRETKEMLR
2PA4 Chain:B ((12-297))----VKTVVVPAAGLGTRFLPATKTVPKELLPVVDTPGIELIAAEAAELGATRLAIITAPNKAGVLAHFERSSELEETLMERGKTDQVEIIRRAADLIKAVPVTQDKPLGLGHAVGLAESVLDDDEDVVAVMLPDDLVLP-TGVMERMAQVRAEFGGSVLCAVEVSEADVSKYGIFEIEADTKDSDVKKVKGMVEKPAIEDAPSRLAATGRYLLDRKIFDALRRITPGAGGELQLTDAIDLLIDEGHPVHIVIHQGKRHDLGNPGGYIPACVDFGLSHPVYGAQ----LKDAIKQ-------


General information:
TITO was launched using:
RESULT:

Template: 2PA4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1529 -59689 -39.04 -212.41
target 2D structure prediction score : 0.57
Monomeric hydrophicity matching model chain B : 0.83

3D Compatibility (PKB) : -39.04
2D Compatibility (Sec. Struct. Predict.) : 0.57
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.493

(partial model without unconserved sides chains):
PDB file : Tito_2PA4.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2PA4-query.scw
PDB file : Tito_Scwrl_2PA4.pdb: