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



Input alignment information:
Query sequenceMRRLPLLEVSQLKMHFDAGKKRTVKAVDGVTFQIREGETFGLVGESGCGKSTLGRVLMRLYQPTEGSVTYRGTNLHALSEKEQFAFNRKLQMIFQDPYASLNPRMTVREIILEPMEIHNLYNTHKARLLVVDELLEAVGLHPDFGSRYPHEFSGGQRQRIGIARALSLNPEFIVADEPISALDVSVQAQVVNLLKRLQKEKGLTFLFIAHDLSMVKHISDRIGVMYLGHMMEITESGTLYREPLHPYTKALLSS---IPIPDPELEDKRERILLKGELPSPVNPPSGCVFRTRCPEAMPECGESRPQLQEIEPGRFVACHLYRNAETKEKVR
3TUI Chain:D ((24-280))-----MIKLSNITKVFHQGT-RTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQH-FNLLSSRTVFGNVAL-PLELDNTPKDEVKRR--VTELLSLVGL-GDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIP----EDYQERL------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3TUI.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 : 1291 -179848 -139.31 -708.06
target 2D structure prediction score : 0.64
Monomeric hydrophicity matching model chain D : 0.77

3D Compatibility (PKB) : -139.31
2D Compatibility (Sec. Struct. Predict.) : 0.64
1D Compatibility (Hydrophobicity) : 0.77
QMean score : 0.527

(partial model without unconserved sides chains):
PDB file : Tito_3TUI.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3TUI-query.scw
PDB file : Tito_Scwrl_3TUI.pdb: