Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRESDVEAQQSHGSSACSQPHGSVTQSQGSSSQSQGISSSSTSTMPNSSQSSHSSSGTLSSLETVSTQELYSIPEDQEPEDQEPEEPTPAPWARLWALQDGFANLECVNDNYWFGRDKSCEYCFDEPLLKRTDKYRTYSKKHFRIFREVGPKNSYIAYIEDHSGNGTFVNTELVGKGKRRPLNNNSEIALSLSRNKVFVFFDLTVDDQSVYPKALRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKRKFAIGSAREADPALNVETEIEILKKLNHPCIIKIKNFFDAEDY-YIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVLAQPSTSRKRPREGEAEGAETTKRPAVCAAVL |
3UPZ Chain:A ((26-286)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKES-----LLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVL----HGTYDEKCDVWSTGVILYILLSGCPPFNGANEYDILK-KVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQ-------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UPZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169556 for 1997 contacts (-84.9/contact) +
2D Compatibility (PS) -27754 + (NN) -14545 + (LL) 13320
1D Compatibility (HY) -24000 + (ID) 5500
Total energy: -228035.0 ( -114.19 by residue)
QMean score : 0.458
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