Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDKKSENQTEKTETKENKGMTRREMLKLSAVAGTGIAVGATGLGTILNVVDQVDKALTPKEKAETGVPFYASNQAGIITAQQTYCYIASFDIQTESRQILQDLFVKWTKFADLTTSGGVLRDVDNDMLPPNDTGEADG-LGISNFTVTLGYGPTFFEKDGKDRFGVKAKKPKYLEKIPHMAHDSLDEAYSDGDLCIQVCADDQQVAFHGIRNFIRLASGVAVVRWIEEGFLS-----APKNETPRNLFGFKDGTANVDHDSNKGYKDVVW--AEKDEPEWMRNGSYLGYRKIQMLIEIWDRSSLLDQEDTFGRKKASGAPYHKKHEHDKVDPSKLPA------DSHVRLAKDTKQQ-----MHRRAYSYTNGIDKSTGTIDAGLLFICFTQNPAKQFLPMLSIMGKMDKLNEYTVPIGSA-MFACQGGLAPGEIFGEKLL |
2Y4E Chain:B ((25-401)) | ---------------------------------------------------------LSPDARNEKQ-PFYGEHQAGILTPQQAAMMLVAFDVLASDKADLERLFRLLTQRFAFLTQGGAAPETPNPRLPPLDSGILGGYIAPDNLTITLSVGHSLFD----ERFGLAPQMPKKLQKMTRFPNDSLDAALCHGDVLLQICANTQDTVIHALRDIIKHTPDLLSVRWKREGFISDHAARSKGKETPINLLGFKDGTANPDSQNDKLMQKVVWVTADQQEPAWTIGGSYQAVRLIQFRVEFWDRTPLKEQQTIFGRDKQTGAPLGMQHEHDVPDYASDPEGKVIALDSHIRLANPRTAESESSLMLRRGYSYSLGVTNS-GQLDMGLLFVCYQHDLEKGFLTVQKRLNG-EALEEYVKPIGGGYFFALPGVKDANDYFGSALL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2Y4E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -107379 for 2885 contacts (-37.2/contact) +
2D Compatibility (PS) -37942 + (NN) -17646 + (LL) 4016
1D Compatibility (HY) -25600 + (ID) 7350
Total energy: -191901.0 ( -66.52 by residue)
QMean score : ?
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