Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVRSVAWAGFMVLLMIPWGSAAKLVCYFTNWAQYRQGEARFLPKDLDPSLCTHLIYAFAGMT-------------------------------NHQLSTT-EWNDE--------------TLYQEFNGLKKMNPKLKTLLAIGGWNFGTQKFTDMVATANNRQTFVNSAIRFLRKYSFDGLDLDWEYPGSQGS-----PAVDKERFTTLVQDLANAFQQEAQTSGKERLLLSAAVPAGQTYVDAGYEVDKIAQNLDFVNLMAYDFHGSWEKVTGHNSPLYKRQEESGAA----ASLNVDAAVQQWLQKGTPASKLILGMPTYGRSFTLASSSDTRVGAPATGSGTPGPFTKEGGMLAYYEVCS-W---KGATKQRIQDQKVPYIFR--DNQWVGFDDVESFKTKVSYLKQKGLGGAMVWALDLDDFAGFSCNQGRYPLIQTLRQELSLPYLPSGTPELEVPKPGQPSEPEHGPSPGQDTFCQGKADGLYPNPRERSSFYSCAAGRLFQQSCPTGLVFSNSCKCCTWN |
1ITX Chain:A ((9-419)) | ------------------ADSYKIVGYYPSWAAYG---RNYNVADIDPTKVTHINYAFADICWNGIHGNPDPSGPNPVTWTCQNEKSQTINVPNGTIVLGDPWIDTGKTFAGDTWDQPIAGNINQLNKLKQTNPNLKTIISVGGWTW-SNRFSDVAATAATREVFANSAVDFLRKYNFDGVDLDWEYPVSGGLDGNSKRPEDKQNYTLLLSKIREKLDAAGAVDGK-KYLLTIASGASATYAA-NTELAKIAAIVDWINIMTYDFNGAWQKISAHNAPLNYDPAASAAGVPDANTFNVAAGAQGHLDAGVPAAKLVLGVPFYGRGWDGCAQAGNGQYQTCTGGSSVGTW--EAGSFDFYDLEANYINKNGYTRYWNDTAKVPYLYNASNKRFISYDDAESVGYKTAYIKSKGLGGAMFWELSGDR---------NKTLQNKLKADL--------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ITX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168410 for 3161 contacts (-53.3/contact) +
2D Compatibility (PS) -37241 + (NN) -15147 + (LL) 3928
1D Compatibility (HY) -26000 + (ID) 6750
Total energy: -249620.0 ( -78.97 by residue)
QMean score : 0.549
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