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 |
| 3WQS Chain:B ((80-462)) | VAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPD--RIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNF-YPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WQS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172282 for 2842 contacts (-60.6/contact) +
2D Compatibility (PS) -36058 + (NN) -4311 + (LL) 384
1D Compatibility (HY) -32800 + (ID) 6950
Total energy: -252017.0 ( -88.68 by residue)
QMean score : 0.403
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