Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQFDRIHLVVLDSVGIGAAPDANDFVNAGVPDGASDTLGHISKTVGLAVPNMAKIGLGNIPRPQALKTVPAEENPSGYATKLQEVSLGKDTMTGHWEIMGLNITEPFDTFWNGFPEDIITKIEDFSGRKVIREANKPYSGTAVIDDFGPRQMETGELIIYTSADPVLQIAAHEDIIPLEELYRICEYARSITMERPALLGRIIARPYVGEPGNFTRTANRHDYAVSPFEDTVLNKLDQAGIDTYAVGKINDIFNGSGINHDMGHNKSNSHGIDTLIKTMGLSEFEKGFSFTNLVDFDALYGHRRDPHGYRDCLHEFDERLPEIISAMRDKDLLLITADHGNDPTYAGTDHTREYIPLLAYSPSFTGNGLIPVGHFADISATVADNFGVDTAMIGESFLQDLV |
3M7V Chain:B ((5-405)) | --TFNRIHLVVLDSVGIGAAPDANNFSNAGVPDGASDTLGHISKTVGLNVPNMAKIGLGNIPRDTPLKTVPAENHPTGYVTKLEEVSLGKDTMTGHWEIMGLNITEPFDTFWNGFPEEIISKIEKFSGRKVIREANKPYSGTAVIDDFGPRQMETGELIIYTSADPVLQIAAHEDVIPLDELYRICEYARSITLERPALLGRIIARPYVGKPRNFTRTANRHDYALSPFAPTVLNKLADAGVSTYAVGKINDIFNGSGITNDMGHNKSNSHGVDTLIKTMGLSAFTKGFSFTNLVDFDALYGHRRNAHGYRDCLHEFDERLPEIIAAMKVDDLLLITADHGNDPTYAGTDHTREYVPLLAYSPSFTGNGVLPVGHYADISATIADNFGVDTAMIGESFLDKLI |
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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) -210957 for 3695 contacts (-57.1/contact) +
2D Compatibility (PS) -42111 + (NN) -10612 + (LL) 180
1D Compatibility (HY) -51600 + (ID) 17700
Total energy: -332800.0 ( -90.07 by residue)
QMean score : 0.596
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