Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKSPVAIIILDGFGKRAETVGNAVAQANKPNFDRYWADFPHGELKAAGLDVGLPEGQMGNSEVGHTNIGAGRIVYQSLTRIDKAIEEGEFQENKALNNAFTHTKENNSDLHLFGLLSDGGVHSHINHLVALLETAKDKGVKNVYIHAFLDGRDVAPQSSLEYLETLQKAISDLNYGAIATVSGRFYAMDRDKRWERVEKAYKAIVSAEGEKFEDPIELVKASYANDKNDEFVVPAIITKDGKPVATVKDNDAVIFFNFRPDRAIQLSNAFTDKEWDHFDRGADHPKNIKFVTMTLYNPSIDAEVAFEPIEMKNVIGEVLSNEGLSQLRIAETEKYPHVTFFMNGGRNEEFPGENRILINSPKVETYDLQPEMSAYEVTDALVEDIKNDKHDAIILNFANPDM-VGHSGMLEPTIKAIEAVDENLGRVVDLILEKGGSAIIFADHGNSETMSTPEGKPHTAHTTVPVPVIVTKKGV-T----LREGGRLADVAPTMLDLLGVKKPAEMTGESLIQK |
3OT9 Chain:A ((222-395)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKPFGRTVMNELKDSDYDVIAIGK----IS-DIYDGEGVTESL-------------------RTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKE-DDLLLITADHGNDPIH------PGTDHTREYVPLLAYSPSMKEGGQELPLRQTFADIGATVAENFGVKMPE--YGTSFLN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OT9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -30347 for 1190 contacts (-25.5/contact) +
2D Compatibility (PS) -17579 + (NN) -1821 + (LL) 20288
1D Compatibility (HY) -7200 + (ID) 2050
Total energy: -38709.0 ( -32.53 by residue)
QMean score : 0.417
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