Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKTIKNGIMIGTLGALLLSGCSSFDAQRFACLPKDHSSKDASTKKEAQYIPKGFFDPYSSNLNHWDSTF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
1SQJ Chain:A ((4-786)) | YEFKNVAIGGGGYITGIVAHPKTKDLLYARTDIGGAYRWDAGTSKWIPLNDFIEAQDMNIMGTESIALDPNNPDRLYLAQGRYVGDEWAAFYVSEDRGQSFTIYESPFPMGANDMGRNNGERLAVNPFNSNEVWMGTRTEGIWKSSDRAKTWTNVTSIPDAFTNGIGYTSVIFDPERNGTIYASATAPQGMYVTHDGGVSWEPVAGQPSSWLNRTTGAFPDKKPASIAPQPMKVALTPNFLYVTYADYPGPWGVTFGEVWRQNRTSGAWDDITPRVGNSSPAPYNNQTFPAGGFCGLSVDATNPNRLVVITLDRDPGPALDSIYLSTDAGATWKDVTQLSSPSNLEGNWGHPTNAARYKDGTPVPWLDFNNGPQWGGYGAPHGTPGLTKFGWWMSAVLIDPFNPEHLMYGTGATIWATDTLSRVEKDWAPSWYLQIDGIEENAILSLRSPKSG-------AALLSGIGDISGMKHDDLTK---------------PQKMFGAPQFSNLDSIDAAGNFPNVVVRAGSSGHEYDSACARGAYATDGGDAWTIFPTCPPGMNASHYQGSTIAVDASGSQIVWSTKLDEQASGPWYSHDYGKTWSVPAGDLKAQTANVLSDKVQDGTFYATDGGKFFVSTDGGKSYAAKGAGLVTGTSLMPAVNPWVAGDVWVPVPEGGLFHSTDFGASFTRVGTANATLVSVGAPKAPSAVFIWGTDKPGSDIGLYRSDDNGSTWTRVNDQEHNYSGPTMIEADPKVYGRVYLGTNGRGIVYADLTNEEKSTAKCANGQKGTHCY |
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General information:
TITO was launched using:
| RESULT:
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Template: 1SQJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -12064 for 253 contacts (-47.7/contact) +
2D Compatibility (PS) -4759 + (NN) -221 + (LL) 1156
1D Compatibility (HY) -400 + (ID) 800
Total energy: -17088.0 ( -67.54 by residue)
QMean score : 0.182
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