Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPIKIAINGTGRIGLCAIRVASQRKDVEIVAINST-AELETLLHLIRHDSVHGHF--EAKLNANRTLNIGHSKNILVLSERDINKLDFSVANAEIIIECTGKFNSLEASSAHLKNSVKKVIISAPAQNAPTFVYGVNHTNYH-NESVISNASCTTNATAPLLKILDEAFKVENALLTTIHSYTNDQNLLDTKH-KDIRRARAASLNLIPTSTGVSKAISLVLPHLGPKITGLAIRVPTPNVSLVDLSLNFKKVVSKASVQHALKDASKHAFKGIVSVDEERLVSSDFISSPFSAIVIDDQIMTIGEKNAKVLAWYDNEMGYSERLIDMAQYIAQN |
3PYM Chain:A ((1-331)) | -MVRVAINGFGRIGRLVMRIALSRPNVEVVALNDPFITNDYAAYMFKYDSTHGRYAGEVSH-DDKHIIVD-GKKIATYQERDPANLPWGSSNVDIAIDSTGVFKELDTAQKHIDAGAKKVVITAPSSTAPMFVMGVNEEKYTSDLKIVSNASCTTNCLAPLAKVINDAFGIEEGLMTTVHSLTATQKTVDGPSHKDWRGGRTASGNIIPSSTGAAKAVGKVLPELQGKLTGMAFRVPTVDVSVVDLTVKLNKETTYDEIKKVVKAAAEGKLKGVLGYTEDAVVSSDFLGDSHSSIFDASAGIQLSPKFVKLVSWYDNEYGYSTRVVDLVEHVAKA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PYM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -220441 for 2872 contacts (-76.8/contact) +
2D Compatibility (PS) -34647 + (NN) -7882 + (LL) 172
1D Compatibility (HY) -25200 + (ID) 6450
Total energy: -294448.0 ( -102.52 by residue)
QMean score : 0.463
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