Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKILLSLFTALLITFGGMTSIQADEYLRVGMEAAYAPFNWTQNDNTNGAVPIEGTDQYANGYDVQVAKKLAKKLNKKVVVVKTKWEGLVPALTSGKLDMIIAGMSPTEERKKEINFSKPYYISEPTLVVNAEGKYTNAKNISDFKNAKVTAQQGVYLYNLIDQINGVKKEVAMGDFNQLRQAVESGVVDAYVSERPDATSAQTANP---KLKMIELHQGFKTSDADTNISVGMRKGDN-RINQVNQVLESISRDK-QIALMDKMIKEQPSVKKEKNGKPNFFEQMATILKNNGSQFLRGTATTLLISMVGTIVGLFIGLLIGVFRTAPKSDNKLKAALQKLLGWLLNIYIEVFRGTPMIVQSMVIYYGTAQAFGVSLDRTLAAIFIVSINTGAYMSEIVRGGIFSVDKGQFEAATALGFTHGQTMRKIVLPQVVRNILPATGNEFVINIKDTSVLNVISVVELYFSGNTVATQTYQYFQTFTIIAIIYFILTFTVTRILRYIEKRFDSDNYTTGANQLQV |
3VV5 Chain:A ((30-257)) | -------------------EEIKRSGEIRIGTEGAFPPFNYFD-ER----------NQLT-GFEVDLGNAIAERLGLKPRWIAQSFDTLLIQLNQGRFDFVIASHGITEERARAVDFTNPHYCTGGVIVSRKGG----PRTAKDLQGKVVGVQVGTTYMEAAQKIPGIKEVRTYQRDPDALQDLLAGRIDTWITDRFVAKEAIKERKLENTLQVG-EL-----V-FQERVAMAVAKGNKSLLDALNRALAELMQDGTYARISQKWFGEDVRCK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VV5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -87224 for 1868 contacts (-46.7/contact) +
2D Compatibility (PS) -24445 + (NN) -7522 + (LL) 22072
1D Compatibility (HY) -12000 + (ID) 2500
Total energy: -111619.0 ( -59.75 by residue)
QMean score : 0.459
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