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 |
3AU9 Chain:A ((80-462)) | VAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPD--RIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNF-YPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDI |
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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) -164854 for 2845 contacts (-57.9/contact) +
2D Compatibility (PS) -35823 + (NN) -3632 + (LL) 384
1D Compatibility (HY) -32800 + (ID) 6950
Total energy: -243675.0 ( -85.65 by residue)
QMean score : 0.373
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