Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDLRIQSKEVSHNLKELSKTLISYPFEKHVEALGEQCSNFVSIPINNDDYSNICTFVSDFINLIASYNLLESFLDFYKDKLKLSELVTEYANVTNNLLFKKLIKHLSGNNQLVKNFYQCIREIIKYNAPNKEYKPNQFFIIGKGKQKQLAKIYSHLKELSASEIKPQDMEDILKKLEELDKIFKTTDFTKFTPKTEIKDIIKEIDEKYPINENFKRQFNEFESNIEKHDEIKKDFERNKESLIREIENHCKNECNSEEEPEYKINDLLKNIQQICKNYIESHAVNDVSKDIKSMMCQFYLKQIDLLVNSEIVRYRYSNLFEPIQRSLWESIKILDNESGIYLFPKNIGEIKDKFEANKEKFKQSKNVSEFAEYCRECNPYTAFNFHLNINNGLSHQFEKFVPIMKEYKEPKITDNDLEAISTKETGLASQLSGHWFFQLSLFNKTNFNPNKIWIPLEFNKRSKIKFDKDLEIYFDSHESFNISKKYLQEIDQESLKKIKQSKDFFSIQKIESKHDN-----NDILQLEFFENDTSFLFAKGSFAEILEYNMQLKIDSLITKEFNKLLAIVQDSPQDSYQLKIRVRHNNKLPREKYT------EHEIKLEVYDCRKSHDHN----EPIILSQQSTGFQWAFNFMFGFLYNVGSHFSFNHNIIYVMDEPATHLSVPARKEFRKFLKEYAHKNHVTFVLATHDPFLVDTDHLDEIRIVEKETEGSVIKNHFNYPLNNASKDSDALDKIKRSLGVGQHVFHNPQKHRIIFVEGITDYCYLSAFKLYLRYKEYKDNPIPFTFLPISGLKNDSNDMKETIEKLCELDNHPIVLTDDDRKCVFNQQATSERFKRANEEMHDPITILQLSDCDRHFKQIEDCFSANDRNKYAKNKQMELSMAFKTRLLYGGEDAIEKQTKRNFLKLFKWIAWATNLIKN |
2IXE Chain:A ((44-236)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGKVTALVGPNGSGKSTVAALLQNLYQ--PTGGKVLLD--GEPLVQYDHHYLHTQVAAVGQEP---LLFGRSFRENIAYGLTRTPTMEEITAVAMESGAHDFISGFPQGYDTEVGETGNQLSGGQRQAVALARALIR---------KPRLLILDNATSALDAGNQLRVQRLLYESPEWASRTVLLITQQLSLAE--RAHHILFLKE---GSVCEQGTHLQLMERGGCYRSMVEA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IXE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -28074 for 1282 contacts (-21.9/contact) +
2D Compatibility (PS) -18778 + (NN) -6409 + (LL) 47460
1D Compatibility (HY) -2400 + (ID) 1200
Total energy: -9401.0 ( -7.33 by residue)
QMean score : 0.231
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