Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNYYKTHTCNELRKNDVEKEVTLSGWMYRKRDHGNLIFVDLRDFYGITQLVFNNDKDFFCKI-SDLKPESVITVTGIVKARTEDTINISISTGEIEVTVNNLQIESEVEFHHNEETAKEERSILASIADDQEYPENMRFKYRFLDLRREKVRNNIVLRSQIIAELRKFMIEQGFLEIQTPILTASSPEGARDYLVPSRLNPGKFYALPQAPQIFKQLLMISGFDKYFQIAPCFRDEDARADRSPGEFYQLDLEMSFVTQEDVFQVIESTLYKVFAKFSRKSVDKG-FSRITYKEAMLKYGSDKPDLRNPLLISDVTEIFRDSEFNIFK--SNIERGMVVRAIPAPKTAEEPRSFFDKKIEHTQKEFGAKGLGYITFNKDGTAKG------PIAKFLDDNRLNHIREATNIKPGDSVFFASDKENEAATIAGKVRTLLGSELGLIDNNIFKFCWVVDFPYFVYDDKSKKIDFFHNPFSMPHGGLKDLEEKNPLDILAYQYDLVCNGIELSSGAIRNNKLDIMYKAFATAGYNKEEVNKKFGALVRAFRFGVPPHGGIAPGIDRIVMLLADAPNIREITCFPMNQQGEDVLMDAPSKVDNKHLRELSLKVVE |
1IL2 Chain:A ((2-585)) | ----RTEYCGQLRLSHVGQQVTLCGWVNRRRDLGSLIFIDMRDREGIVQVFFDPDRADALKLASELRNEFCIQVTGTVRARDEKNINRDMATGEIEVLASSLTIIN--------------RADVLPLDSNHVNTEEARLKYRYLDLRRPEMAQRLKTRAKITSLVRRFMDDHGFLDIETPMLTKATPEGARDYLVPSRVHKGKFYALPQSPQLFKQLLMMSGFDRYYQIVKCFRDEDLRADRQP-EFTQIDVETSFMTAPQVREVMEALVRHLWLEV--KGVDLGDFPVMTFAEAERRYGSDKPDLRNPMELTDVADLLKSVEFAVFAGPANDPKGRVA-ALRVPGGASLTRKQIDEYGNFV-KIYGAKGLAYIKVNE--RAKGLEGINSPVAKFLNAEIIEDILDRTAAQDGDMIFFGADNKKIVADAMGALRLKVGKDLGLTDESKWAPLWVIDFPMF-EDDGEGGLTAMHHPFTSPKDMTAAELKAAPENAVANAYDMVINGYEVGGGSVRIHNGDMQQTVFGILGINEEEQREKFGFLLDALKYGTPPHAGLAFGLDRLTMLLTGTDNIRDVIAFPKTTAAACLMTEAPSFANPTALAELSIQVVK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IL2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -221863 for 4573 contacts (-48.5/contact) +
2D Compatibility (PS) -61879 + (NN) -31379 + (LL) 1592
1D Compatibility (HY) -41600 + (ID) 12550
Total energy: -367679.0 ( -80.40 by residue)
QMean score : 0.514
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