Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMKDMTTGNPTKLIFLFAMPMLIGNLFQQFYTMIDAVIVGKFVSVDALAAVGATNSVNFFMISLIIGLMSGISVVVAQYFGFKDYDRLKDVIATATYAVVFSAIILTVAGVLLAKPLLILLRT---PANILDDSTIFLTTLFIGILPMSLYNGMAAILRALGNSITPLIFLILSSLMNIALDFLFVVYMDMGVRGAAIATVLSQTAAAIAVIYYAY-RHVPFMRIERAKFKLSTPLLKEMVRIGLPSGLQGSFISIGNMALQSL-INGFGSSVVAAYTAASRIDSLTYQPGIAFGAASSMFAGQNIGAGKIDRVREGFWSGIKVVTAISIGITILVQLFARQFLLLFVDSSETEVINIG-VSYLLIVSLFYVVVGILFVVRETLRGTGDAMVPLAMGIFE-LVSRLVIGFVLSLYIGYVGLWWATPVAWITATILG-VW-RYKSGAWQKKAVIRRK |
3VVR Chain:A ((14-454)) | -------GDPKKAIVRLSIPMMIGMSVQTLYNLADGIWVSG-LGPESLAAVGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNV---AVHSLILSLILGVTITITMLPAIDSLFRSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIYTLGFGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVDITLRDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSVAITAG-ENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFTY------IKGDLISALRTLPVFLVLTPFGMMTSAMFQGIGEGEKSLILTIFRTLVMQVGFAYIFVH--GLRGVWIGIVIGNMVAAIVGFLWGRMRISALKKT------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VVR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -400925 for 3685 contacts (-108.8/contact) +
2D Compatibility (PS) -43106 + (NN) -3370 + (LL) 2572
1D Compatibility (HY) -35200 + (ID) 5800
Total energy: -485829.0 ( -131.84 by residue)
QMean score : 0.344
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