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



Input alignment information:
Query sequenceMRKKVRKAVIPAAGLGTRFLPATKAQPKEMLPIVDKPAIQYIVEEAAESGIEDILIITGRNKRSIEDHFDRSAELEFNLREKGKTETLKEMQQIADLANIHYIRQKEPLGLGHAVLCAEHFIGDEP--FAVLLGDDIMVSETPALRQLMDVYDVYGTEVVGVQSVLPEDVSKYGI--INTSGSQGHVYEVNDLVEKPSPEEAPSEIAVMGRYVLNSSIFSVLKTIGRGAGNEIQLTDALREVCRK-EPIHARLLEGNRYDIGDKLGCFKASTEIGLMRPEMRSQLLAYLEDVIKRETKEMLR
2PA4 Chain:D ((12-297))----VKTVVVPAAGLGTRFLPATKTVPKELLPVVDTPGIELIAAEAAELGATRLAIITAPNKAGVLAHFERSSELEETLMER---DQVEIIRRAADLIKAVPVTQDKPLGLGHAVGLAESVLDDDEDVVAVMLPDDLVLP-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 D - contact count / total energy / energy per contact / energy per residue : 1530 -64556 -42.19 -232.22
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain D : 0.82

3D Compatibility (PKB) : -42.19
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.481

(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: