Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MVVLGSTGSIGKNALKIAKKFG-----VKIEALSCGKNIALINEQIKVFKPKKVAILDPNDLNNLEPLGAEVF----VGLDGIDAMIEECVSNLVINAIVGV---AGLKASFKSLQRNKKLALANKESLVSAG----HLLDI---SQITPVDSEHFGLWALL-QNKTLKPKSL-------------IISASGGAFRDTPLDLIAIQNAQNALKHPNWSMGDKITIDSASMVNKLFEILETYWLFGASLK-IDALIERSSIVHALVEFEDNSVIAHLASADMQLPISYAIN-PKLASLSASIKPLDLYALSAIKFEPISVERYTLWR--YKDLLLENPKLGVVLNASNEVAMKKFLNQEIAFGGFIQIISQALELYAKKSFKLSSLDEVLALDKEVRERFGSVARV |
| 3AUA Chain:A ((80-462)) | VAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPD--RIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNF-YPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AUA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167461 for 2847 contacts (-58.8/contact) +
2D Compatibility (PS) -36165 + (NN) -3941 + (LL) 384
1D Compatibility (HY) -32800 + (ID) 6950
Total energy: -246933.0 ( -86.73 by residue)
QMean score : 0.408
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