Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAPGDWSVFAWHAANLPTMPEAEDIGNEAAGGRFGVSIRSAGYLRKWFLLGITIGVIAGLGAVVFYLALKYTSEFLLGYLADYQIPTPVGEGGHRGSTGFARPWAIPLVTTGGAVLSALIVAKLAPEATGHGTDEAIESVHGDPRAIRGRAVLVKMVASALTIGSGGSGGREGPTAQISAGFCSLLTRRLNLS-NEDGRTAVALGIGAGIGAIFAAPLGGAALGAS-IPYRDDFDYRNLLPGFIASGTAYAVLGAFLGFDPLFGYIDAEYRFEKAWPLLWFVVIGLIAAAVGYLYARVFHASVAITRRLPGGPVLKPAIGGLLVGLLGLPIPQILSSGYGWAQLAADRGTLLSIPLWIVIVLPIAKILATSLSIGTGGSGGLFGPGIVIGAFVGAAIWRLGELTELPGVPHEPGIFVVVAMMACFGSVSRAPLAVMIMVAEMTGSFSVVPGAIIAVGIAALLLSRTNVTIYETQRLNRQTAEAERGGSDRPTTA |
1KPK Chain:A ((12-461)) | -----------QAARLRRRQLIRQL------------LERDKTPLAILFMAAVVGTLVGLAAVAFDKGVAWLQNQRMGALV------------HTADNYPLLLTVAFLCSAVLAMFGYFLVRKYAPEAGGSGIPEIEGALEDQRPVRWWRVLPVKFFGGLGTLGGGMVLGREGPTVQIGGNIGRMVLDIFRLKGDEARHTLLATGAAAGLAAAFNAPLAGILFIIEEMRPQFRYTLISIKAVFIGVIMSTIMYRIFNHEVALIDV--GKLSDAPLNTLWLYLILGIIFGIFGPIFNKWVLGMQDLLHRVHGGNITKWVLMGGAIGGLCGLLGFVAPATSGGGFNLIPIATAGNFSMGMLVFIFVARVITTLLCFSSGAPGGIFAPMLALGTVLGTAFGMVAVEL-FPQYHLEAGTFAIAGMGALLAASIRAPLTGIILVLEMTDNYQLILPMIITGLGATLLAQFTGGKPLYSAILARTLAKQEAEQL------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KPK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -344244 for 4288 contacts (-80.3/contact) +
2D Compatibility (PS) -46600 + (NN) -8435 + (LL) 992
1D Compatibility (HY) -24400 + (ID) 5150
Total energy: -427837.0 ( -99.78 by residue)
QMean score : 0.302
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