Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMKDMTTGNPTKLIFLFAMPMLIGNLFQQFYTMIDAVIVGKFVSVDALAAVGATNSVNFFMISLIIGLMSGISVVVAQYFGFKDYDRLKDVIATATYAVVFSAIILTVAGVLLAKPLLILLRT---PANILDDSTIFLTTLFIGILPMSLYNGMAAILRALGNSITPLIFLILSSLMNIALDFLFVVYMDMGVRGAAIATVLSQTAAAIAVIYYAY-RHVPFMRIERAKFKLSTPLLKEMVRIGLPSGLQGSFISIGNMALQSL-INGFGSSVVAAYTAASRIDSLTYQPGIAFGAASSMFAGQNIGAGKIDRVREGFWSGIKVVTAISIGITILVQLFARQFLLLFVDSSETEVINIG-VSYLLIVSLFYVVVGILFVVRETLRGTGDAMVPLAMGIFE-LVSRLVIGFVLSLY--IGYVGLWWATPVAWITATILG-VW-RYKSGAWQKKAVIRRK |
3VVS Chain:A ((14-454)) | -------GDPKKAIVRLSIPMMIGMSVQTLYNLADGIWVSG-LGPESLAAVGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNV---AVHSLILSLILGVTITITMLPAIDSLFRSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIYTLGFGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVDITLRDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSVAITAGGENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFT-------IKGDLISALRTLPVFLVLTPFGMMTSAMFQGIGEGEKSLILTIFRTLVMQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIVGFLWGRMRISALKKT------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VVS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -401248 for 3702 contacts (-108.4/contact) +
2D Compatibility (PS) -43205 + (NN) -454 + (LL) 2372
1D Compatibility (HY) -36000 + (ID) 5900
Total energy: -484435.0 ( -130.86 by residue)
QMean score : 0.363
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