Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIFTQEHEELRRTVRSFVEREINPNVDQWEKDGRFPIHEIFRKAGELGLLGISKPEKFGGMGLDYSYSIVAAEEFGSITCGGIPMAIGVQTDMCTPALARFGSDELREEFLRPAIAGEMVGCIGVSEVGAGSDVAGLKTTARKDGDDYVINGSKMWITNSPSADFMCLLANTSDD-KPHVNKSL--IVVPMKTPGITLSPHLDKLGMRSSETAQVFFDNVRVPQRNRIGAEGAGFMMQMLQFQEERLFGAANMIKGLEHCIDVTIEYCKERRTFGQPLIDNQVIHFRMAEMMTEVEALRALVYQATELYV-KGRDVTRLASMAKLKAGRLGREVSDACLQYWGGMGFMWDNPVSRAYRDTRLVSIGGGADEIMLGIICKLMGILPGKKKG |
| 3MDD Chain:B ((6-378)) | --LTEQQKEFQATARKFAREEIIPVAAEYDRTGEYPV-PLLKRAWELGLMNTHIPESFGGLGLGIIDSCLITEEL-AYGCTGVQTAIEANTLGQVP-LIIGGNYQQQKKYLGRMTEEPLMCAYCVTEPGAGSDVAGIKTKAEKKGDEYIINGQKMWITNGGKANWYFLLARSDPDPKAPASKAFTGFIVEADTPGVQIGRKEINMGQRCSDTRGIVFEDVRVPKENVLTGEGAGFKIAMGTFDKTRPPVAAGAVGLAQRALDEATKYALERKTFGKLLAEHQGISFLLADMAMKVELAR-LSYQRAAWEIDSGRRNTYYASIAKAYAADIANQLATDAVQVFGGNGFNTEYPVEKLMRDAKIYQIYEGTAQIQRIIIAR----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MDD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185000 for 3311 contacts (-55.9/contact) +
2D Compatibility (PS) -40390 + (NN) -20223 + (LL) 872
1D Compatibility (HY) -18800 + (ID) 6600
Total energy: -270141.0 ( -81.59 by residue)
QMean score : 0.535
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