Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTITTFENKKVLVLGLARSGEAAARLLAKLGAIVTVNDGKPFDENPTAQSLLEEGIKVVCGSHPLELLDEDFCYMIKNPGIPYNNPMVKKALEKQIPVLTEVE-LAYLVSESQLIGITGSNGKTTTTTMIAEVLNA---------GGQRGLLAGNIGFPASE-VVQAADDKDILVMELSSFQLMGVKEFRPHIAVITNLMPTHLD-YHGSFEDYVAAKWNIQNQMSSSDFLVLNFNQGISKELAKTTKATIVPFSTTEKVDGAYVQDKQLFYKGENIMLVDD-------IGVPGSHNVENALATIAVAKLAGISNQVIRETLSNFGGVKHRLQSL-------GKVHGISFYNDSKSTNILATQKALSGFDNTKVILIAGGLDRGNEFDELIPDITGLKHMVVLGESASRVKRAAQKAGVTYSDALDVRDAVHKAYEVAQQGDVILLSPANASWDMYKNFEVRGDEFIDTFESLRGE |
1P3D Chain:A ((57-372)) | -------------------------------------------------QRLAQAGAKIYIG-HAEEHI-EGASVVVVSSAIKDDNPELVTSKQKRIPVIQRAQMLAEIMRFRHGIAVAGTHGKTTTTAMISMIYTQAKLDPTFVNGGLVKSAGKNAHLGASRYLIAEADESDASFLHL-----------QPMVSVVTNMEPDHMDTYEGDFEKMKATYVKFLHNLPFYGLAVMCADDPVLMELVPKVGRQVITYGFSEQADYRIEDYEQTGFQGHYTVICPNNERINVLLNVPGKHNALNATAALAVAKEEGIANEAILEALADFQGAGRRFDQLGEFIRPNGKVRLVDDYGHHPTEVGVTIKAAREGWGDKRIVMIFQPHRYSRTRDLFDDFVQVLSQVDALIMLDVYAAGEAPIVGADSKSLCRSIRNLGKVDPILVSDTSQLGDVLDQIIQDGDLILAQGAGSVSKISRGLAE |
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General information:
TITO was launched using:
| RESULT:
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Template: 1P3D.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -106892 for 2294 contacts (-46.6/contact) +
2D Compatibility (PS) -31197 + (NN) -7256 + (LL) 4212
1D Compatibility (HY) -14800 + (ID) 4200
Total energy: -160133.0 ( -69.81 by residue)
QMean score : 0.406
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