Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKSPVAIIILDGFGKRAETVGNAVAQANKPNFDRYWADFPHGELKAAGLDVGLPEGQMGNSEVGHTNIGAGRIVYQSLTRIDKAIEEGEFQENKALNNAFTHTKENNSDLHLFGLLSDGGVHSHINHLVALLETAKDKGVKNVYIHAFLDGRDVAPQSSLEYLETLQKAISDLNYGAIATVSGRFYAMDRDKRWERVEKAYKAIVSAEGEKFEDPIELVKASYANDKNDEFVVPAIITKDGKPVATVKDNDAVIFFNFRPDRAIQLSNAFTDKEWDHFDRGADHPKNIKFVTMTLYNPSIDAEVAFEPIEMKNVIGEVLSNEGLSQLRIAETEKYPHVTFFMNGGRNEEFPGENRILINSPKVETYDLQPEMSAYEVTDALVEDIKN--DKHDAIILNFANPDM-VGHSGMLEPTIKAIEAVDENLGRVVDLILEKGGSAIIFADHGNSETMSTPEGKPHTAHTTVPVPVIVTKKGV-T--LREGGRLADVAPTMLDLLGVKKPAEMTGESLIQK |
3M7V Chain:A ((229-402)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SPFAPTVLNKLADAGVSTYAVGK----IN-DIFNGSGITNDMG------------------HNKSNSHGVDTLIKTMGLSAFTKGFSFTNLVDFDALYGHRRNAHGYRDCLHEFDERLPEIIAAMKV-DDLLLITADHGNDPTY------AGTDHTREYVPLLAYSPSFTGNGVLPVGHYADISATIADNFGVDTAM--IGESFLD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3M7V.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -30070 for 1177 contacts (-25.5/contact) +
2D Compatibility (PS) -17781 + (NN) -2290 + (LL) 20288
1D Compatibility (HY) -6400 + (ID) 1850
Total energy: -38103.0 ( -32.37 by residue)
QMean score : 0.446
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