Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEELLKRFTKYVKVDTQSNEESTVCPTTPGQMELANILVTELKEIGMQEVTVDEFGYVMATLPSNSTKEVPVIGFLAHLDTATDLTGKNVQPQVHENYDGKDIILNKDLNVVLSPKQFPELAGYKGKTLITTDGTTLLGADDKAGITEIMVAMNHLINHPEIKHGKIRIAFTPDEEIGRGPERFDVEAFGAKYAYTMDGGPLGELEYESFNAASAKITFKGNSVHPGTAKNKMVNAVKMAMEFDARIPKDEAPEYTEGYEGFYHLISLNGDVEQARSYYIIRDFDHLKFVERKTHIASIAKELEEK-YGEGSVELKLNDQYYNMREKIEPVKEIVDIVSAAMRNLDIEPKISPIRGGTDGAQLSYKGLPTPNIFGGGENFHGKFEYVALESMVKATEVIIEVARLFEEKE |
1VIX Chain:A ((4-410)) | --DKLLERFLNYVSLDTQSKAGVRQVPSTEGQWKLLHLLKEQLEEMGLINVTLSEKGTLMATLPANVPGDIPAIGFISHVDTSPDCSGKNVNPQIVENYRGGDIALGIG-DEVLSPVMFPVLHQLLGQTLITTDGKTLLGADDKAGIAEIMTALA-VLQQKKIPHGDIRVAFTPDEEVGKGAKHFDVDAFDARWAYTVDGGGVGELEFENFNAASVNIKIVGNNVHPGTAKGVMVNALSLAARIHAEVPADESPEMTEGYEGFYHLASMKGTVERADMHYIIRDFDRKQFEARKRKMMEIAKKVGKGLHPDCYIELVIEDSYYNMREKVVEHPHILDIAQQAMRDCDIEPELKPIRGGTDGAQLSFMGLPCPNLFTGGYNYHGKHEFVTLEGMEKAVQVIVRIAELTAQRK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1VIX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130100 for 3540 contacts (-36.8/contact) +
2D Compatibility (PS) -43770 + (NN) -25032 + (LL) 492
1D Compatibility (HY) -38000 + (ID) 11000
Total energy: -247410.0 ( -69.89 by residue)
QMean score : 0.590
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