Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRPQRISVLGATGSIGLSTLDVV---QRHPDRYEAFALTGFSRLAEL---------EALCLRHRPVYAVVPEQAAAIALQGSLAAAGIRTRVLFGEQALCEVASAPEVDMVMAAIVGAAGLPSTLAAVEAGKRVLLANKEALVMSGALFMQAVK-RSGAVLLPIDSEHNAIFQSLPRNYA-------DGLERVG-VRRILLTASGGPFRETPLEQLASVTPEQACAHPNWSMGRKISVDSASMMNKGLELIEACWLFDAQPSQVEVVIHPQSVIHSMVDYVDGSVIAQLGNPDMRTPISYAMAWPERIDSGVSPLDMFAVGRLDFQRPDEQRFPCLRLASQAAETGGSAPAMLNAANEVAVAAFLERHIRFSDIAVIIEDVL---NREAVT--AVESLDQVLAADRRARSVAGQWLTRHAG |
3AU9 Chain:A ((77-485)) | ---PINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIK--------DYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKH-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AU9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -245376 for 3284 contacts (-74.7/contact) +
2D Compatibility (PS) -41558 + (NN) -18621 + (LL) 956
1D Compatibility (HY) -38400 + (ID) 7300
Total energy: -350299.0 ( -106.67 by residue)
QMean score : 0.492
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