Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLPFAPQDEPWDREMEVFSGGGASSGEVNGLKMVDEPMEEGEADSCHDEGVVKEIPITHHVKEGYEKAD-PAQFELLKVLGQG-SFGKVFLVRKKTGPDAGQLYAMKVLKKASLK-VRDRVRTKMERDILV--EVNHPFIVKLHYAFQTEGKLYLILDFLRGGDVFTRLSK-EVLFTEEDVKFYLAELALALDHLH-QLGIVYRDLKPENILLD-EIGHIKLTDFGLSKESVDQEKKAY--SFCGTVEYMAPEVVNRR---GHSQSADWWSYGVLMFEMLTG-TLPFQGKDRNETMNMILKAKLGMP-QFLSAEAQSLLRMLFKRNPANRLGS--EGVEEIKRHLFFANID---WDKLYKREVQPPFKPASGKPDDTFCFDPEFTAK---TPKDSPGLPASANAHQLFKGFSFVATSIAEEYKITPITSANVLPIVQINGNAAQFGEVYELKEDIGVGSYSVCKRCIHATTNMEFAVKIIDKSKRDPSEEIEILMRYGQHPNIITLKDVFDDGRYVYLVTDLMKGGELLDRILKQKCFSEREASDILYVISKTVDYLHCQGVVHRDLKPSNILYMDESASADSIRICDFGFAKQLRGENGLLLTPCYTANFVAPEVLMQQGYDAACDIWSLGVLFYTMLAGYTPFANGPNDTPEEILLRIGNGKFSLSGGNWDNISDGAKDLLSHMLHMDPHQRYTAEQILKHSWITHRDQLPNDQPKRNDVSHVVKGAMVATYSALTHKTFQPVLEPVAASSLAQRRSMKKRTSTGL |
| 1CDK Chain:A ((8-350)) | --------------------------------KGSEQESVKEFLAKAKEDFLKKWENPAQNTA------HLDQFERIKTLGT-GSFGRVMLVKHK--ETG-NHFAMKILDKQKVVKLKQIEHTLNEKRILQAV--NFPFLVKLEYSFKDNSNLYMVMEYVPGGEMFSHLRRI-GRFSEPHARFYAAQIVLTFEYLHS-LDLIYRDLKPENLLIDQ-QGYIQVTDFGFAKRV-K--G--RTWTLCGTPEYLAPEIILS-KGY--NKAVDWWALGVLIYEMAAGY-PPFFADQPIQIYEKIVSGKVRFPS-HFSSDLKDLLRNLLQVDLTKRFGNLKDGVNDIKNHKWFA---TTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSI--------NEKCGKEFSEF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1CDK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -147877 for 2516 contacts (-58.8/contact) +
2D Compatibility (PS) -34437 + (NN) -14514 + (LL) 25068
1D Compatibility (HY) -25200 + (ID) 5800
Total energy: -202760.0 ( -80.59 by residue)
QMean score : 0.168
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