CryoZeta

Job ID: 817776499505e9050a736da45145cdd3
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CryoZeta models. 5 top-scoring models are shown.

Job is finished!
==> Total residues: 2516, stages: 1
sending incremental file list
./
input.json

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input.map

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msa/
msa/prot/
msa/prot/prot.fasta

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Connection established.
INFO: cd /scratch/negishi/dklab/em-server/working/817776499505e9050a736da45145cdd3/scratch/msa/prot/ && sbatch -J msa_prot_817776499505e9050a736da45145cdd3 --parsable /depot/dkihara/data/dklab/em-server/pkgs/CryoZeta/helper/x-mmseqs.sh prot.fasta

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[prot_MSA] Job 40069891 has completed.

All jobs have completed.
receiving incremental file list
msa/prot/
msa/prot/done.txt

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29 100% 28.32kB/s 0:00:00 (xfr#1, to-chk=6/12)
msa/prot/results.zip

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msa/prot/slurm-40069891.out

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msa/prot/8250A0650B614B99/
msa/prot/8250A0650B614B99/mmseqs_other_hits.a3m

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msa/prot/8250A0650B614B99/uniref100_hits.a3m

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adding: 817776499505e9050a736da45145cdd3/ (in=0) (out=0) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/ (in=0) (out=0) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/input.json (in=3111) (out=1823) (deflated 41%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/ (in=0) (out=0) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/ (in=0) (out=0) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/8250A0650B614B99/ (in=0) (out=0) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/8250A0650B614B99/mmseqs_other_hits.a3m . (in=16347713) (out=978997) (deflated 94%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/8250A0650B614B99/uniref100_hits.a3m (in=4346942) (out=829942) (deflated 81%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/prot.fasta (in=2535) (out=1485) (deflated 41%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/slurm-40069891.out (in=81854) (out=8298) (deflated 90%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/done.txt (in=29) (out=29) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/results.zip (in=5542855) (out=5542855) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/input.map ................ (in=174457856) (out=164666030) (deflated 6%)
total bytes=200782895, compressed=172029459 -> 14% savings
sending incremental file list
./
input.json

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input.map

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msa/
msa/prot/
msa/prot/done.txt

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msa/prot/prot.fasta

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msa/prot/results.zip

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msa/prot/slurm-40069891.out

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msa/prot/8250A0650B614B99/
msa/prot/8250A0650B614B99/mmseqs_other_hits.a3m

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msa/prot/8250A0650B614B99/uniref100_hits.a3m

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receiving incremental file list
./
CryoZeta_model_1.cif

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CryoZeta_model_2.cif

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CryoZeta_model_3.cif

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CryoZeta_model_4.cif

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CryoZeta_model_5.cif

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1.85M 100% 4.03MB/s 0:00:00 (xfr#5, to-chk=71/77)
done.txt

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slurm-11171236.out

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output/
output/817776499505e9050a736da45145cdd3/
output/817776499505e9050a736da45145cdd3/CryoZeta-Detection/
output/817776499505e9050a736da45145cdd3/CryoZeta-Detection/817776499505e9050a736da45145cdd3.pt

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output/817776499505e9050a736da45145cdd3/CryoZeta-Detection/817776499505e9050a736da45145cdd3_CA.pdb

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output/817776499505e9050a736da45145cdd3/CryoZeta-Detection/817776499505e9050a736da45145cdd3_timing.txt

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output/817776499505e9050a736da45145cdd3/CryoZeta-Final/
output/817776499505e9050a736da45145cdd3/CryoZeta-Final/817776499505e9050a736da45145cdd3_sample_0.cif

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output/817776499505e9050a736da45145cdd3/CryoZeta-Final/817776499505e9050a736da45145cdd3_sample_1.cif

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output/817776499505e9050a736da45145cdd3/CryoZeta-Final/817776499505e9050a736da45145cdd3_sample_2.cif

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output/817776499505e9050a736da45145cdd3/CryoZeta-Final/817776499505e9050a736da45145cdd3_sample_3.cif

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output/817776499505e9050a736da45145cdd3/CryoZeta-Final/817776499505e9050a736da45145cdd3_sample_4.cif

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output/817776499505e9050a736da45145cdd3/CryoZeta/
output/817776499505e9050a736da45145cdd3/CryoZeta/saved_data/
output/817776499505e9050a736da45145cdd3/CryoZeta/saved_data/output_dict_817776499505e9050a736da45145cdd3.pt

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output/817776499505e9050a736da45145cdd3/CryoZeta/saved_data/scores.csv

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output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/
output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/
output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/817776499505e9050a736da45145cdd3_sample_0.cif

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output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/817776499505e9050a736da45145cdd3_sample_1.cif

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output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/817776499505e9050a736da45145cdd3_sample_2.cif

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output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/817776499505e9050a736da45145cdd3_sample_3.cif

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output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/817776499505e9050a736da45145cdd3_sample_4.cif

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output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/817776499505e9050a736da45145cdd3_summary_confidence_sample_0.json

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output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/817776499505e9050a736da45145cdd3_summary_confidence_sample_1.json

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output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/817776499505e9050a736da45145cdd3_summary_confidence_sample_2.json

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output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/817776499505e9050a736da45145cdd3_summary_confidence_sample_3.json

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output/817776499505e9050a736da45145cdd3/CryoZeta/seed_101/predictions/817776499505e9050a736da45145cdd3_summary_confidence_sample_4.json

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adding: 817776499505e9050a736da45145cdd3/scratch/output/817776499505e9050a736da45145cdd3/CryoZeta-Detection/ (in=0) (out=0) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/output/817776499505e9050a736da45145cdd3/CryoZeta-Detection/817776499505e9050a736da45145cdd3_timing.txt (in=207) (out=141) (deflated 32%)
adding: 817776499505e9050a736da45145cdd3/scratch/output/817776499505e9050a736da45145cdd3/CryoZeta-Detection/817776499505e9050a736da45145cdd3_CA.pdb (in=977947) (out=210210) (deflated 79%)
adding: 817776499505e9050a736da45145cdd3/scratch/output/817776499505e9050a736da45145cdd3/CryoZeta-Detection/817776499505e9050a736da45145cdd3.pt (in=1822658) (out=1383061) (deflated 24%)
adding: 817776499505e9050a736da45145cdd3/scratch/output/817776499505e9050a736da45145cdd3/CryoZeta-Final/ (in=0) (out=0) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/output/817776499505e9050a736da45145cdd3/CryoZeta-Final/817776499505e9050a736da45145cdd3_sample_1.cif (in=1825565) (out=488519) (deflated 73%)
adding: 817776499505e9050a736da45145cdd3/scratch/output/817776499505e9050a736da45145cdd3/CryoZeta-Final/817776499505e9050a736da45145cdd3_sample_3.cif (in=1805606) (out=486678) (deflated 73%)
adding: 817776499505e9050a736da45145cdd3/scratch/output/817776499505e9050a736da45145cdd3/CryoZeta-Final/817776499505e9050a736da45145cdd3_sample_0.cif (in=1845524) (out=491254) (deflated 73%)
adding: 817776499505e9050a736da45145cdd3/scratch/output/817776499505e9050a736da45145cdd3/CryoZeta-Final/817776499505e9050a736da45145cdd3_sample_4.cif (in=1845524) (out=491110) (deflated 73%)
adding: 817776499505e9050a736da45145cdd3/scratch/output/817776499505e9050a736da45145cdd3/CryoZeta-Final/817776499505e9050a736da45145cdd3_sample_2.cif (in=1845524) (out=490878) (deflated 73%)
adding: 817776499505e9050a736da45145cdd3/scratch/CryoZeta_model_4.cif (in=1805606) (out=486678) (deflated 73%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/ (in=0) (out=0) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/ (in=0) (out=0) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/8250A0650B614B99/ (in=0) (out=0) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/8250A0650B614B99/mmseqs_other_hits.a3m . (in=16347713) (out=978997) (deflated 94%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/8250A0650B614B99/uniref100_hits.a3m (in=4346942) (out=829942) (deflated 81%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/results.zip (in=5542855) (out=5542855) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/slurm-40069891.out (in=81854) (out=8298) (deflated 90%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/prot.fasta (in=2535) (out=1485) (deflated 41%)
adding: 817776499505e9050a736da45145cdd3/scratch/msa/prot/done.txt (in=29) (out=29) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/CryoZeta_model_1.cif (in=1845524) (out=491254) (deflated 73%)
adding: 817776499505e9050a736da45145cdd3/scratch/done.txt (in=32) (out=32) (stored 0%)
adding: 817776499505e9050a736da45145cdd3/scratch/slurm-11171236.out (in=74437) (out=9663) (deflated 87%)
total bytes=356118092, compressed=251592863 -> 29% savings
Processing: /net/kihara/scratch/webdklab/em-server/817776499505e9050a736da45145cdd3/CryoZeta_model_1.cif as Model 1
Processing: /net/kihara/scratch/webdklab/em-server/817776499505e9050a736da45145cdd3/CryoZeta_model_2.cif as Model 2
Processing: /net/kihara/scratch/webdklab/em-server/817776499505e9050a736da45145cdd3/CryoZeta_model_3.cif as Model 3
Processing: /net/kihara/scratch/webdklab/em-server/817776499505e9050a736da45145cdd3/CryoZeta_model_4.cif as Model 4
Processing: /net/kihara/scratch/webdklab/em-server/817776499505e9050a736da45145cdd3/CryoZeta_model_5.cif as Model 5
<gemmi.cif.Block CryoZeta_prediction_817776499505e9050a736da45145cdd3>
Creating output directory: /net/kihara/scratch/webdklab/em-server/817776499505e9050a736da45145cdd3/
Joined file: /net/kihara/scratch/webdklab/em-server/817776499505e9050a736da45145cdd3/CryoZeta_model_all.cif
User Email ppunuru@purdue.edu
contour_level 1.12
resolution 3.2

cryo_em_map: cryosparc_P21_J25_002_volume_map_sharp.mrc

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fasta(protein): protein.fasta

>A
MNESVKEIPDVLKSQCGFNCLTDISHSSFNEFRQQVSEHLSWSETHDLYHDAQQAQKDNRLYEARILKRANPQLQNAVHLAILAPNAELIGYNNQFSGRASQYVAPGTVSSMFSPAAYLTELYREARNLHASDSVYYLDTRRPDLKSMALSQQNMDIELSTLSLSNELLLESIKTESKLENYTKVMEMLSTFRPSGATPYHDAYENVREVIQLQDPGLEQLNASPAIAGLMHQASLLGINASISPELFNILTEEITEGNAEELYKKNFGNIEPASLAMPEYLKRYYNLSDEELSQFIGKASNFGQQEYSNNQLITPVVNSSDGTVKVYRITREYTTNAYQMDVELFPFGGENYRLDYKFKNFYNASYLSIKLNDKRELVRTEGAPQVNIEYSANITLNTADISQPFEIGLTRVLPSGSWAYAAAKFTVEEYNQYSFLLKLNKAIRLSRATELSPTILEGIVRSVNLQLDINTDVLGKVFLTKYYMQRYAIHAETALILCNAPISQRSYDNQPSQFDRLFNTPLLNGQYFSTGDEEIDLNSGSTGDWRKTILKRAFNIDDVSLFRLLKITDHDNKDGKIKNNLKNLSNLYIGKLLADIHQLTIDELDLLLIAVGEGKTNLSAISDKQLATLIRKLNTITSWLHTQKWSVFQLFIMTSTSYNKTLTPEIKNLLDTVYHGLQGFDKDKADLLHVMAPYIAATLQLSSENVAHSVLLWADKLQPGDGAMTAEKFWDWLNTKYTPGSSEAVETQEHIVQYCQALAQLEMVYHSTGINENAFRLFVTKPEMFGAATGAAPAHDALSLIMLTRFADWVNALGEKASSVLAAFEANSLTAEQLADAMNLDANLLLQASIQAQNHQHLPPVTPENAFSCWTSINTILQWVNVAQQLNVAPQGVSALVGLDYIQSMKETPTYAQWENAAGVLTAGLNSQQANTLHAFLDESRSAALSTYYIRQVAKAAAAIKSRDDLYQYLLIDNQVSAAIKTTRIAEAIASIQLYVNRALENVEENANSGVISRQFFIDWDKYNKRYSTWAGVSQLVYYPENYIDPTMRIGQTKMMDALLQSVSQSQLNADTVEDAFMSYLTSFEQVANLKVISAYHDNINNDQGLTYFIGLSETDAGEYYWRSVDHSKFNDGKFAANAWSEWHKIDCPINPYKSTIRPVIYKSRLYLLWLEQKEITKQTGNSKDGYQTETDYRYELKLAHIRYDGTWNTPITFDVNKKISELKLEKNRAPGLYCAGYQGEDTLLVMFYNQQDTLDSYKNASMQGLYIFADMASKDMTPEQSNVYRDNSYQQFDTNNVRRVNNRYAEDYEIPSSVSSRKDYGWGDYYLSMVYNGDIPTINYKAASSDLKIYISPKLRIIHNGYEGQKRNQCNLMNKYGKLGDKFIVYTSLGVNPNNSSNKLMFYPVYQYSGNTSGLNQGRLLFHRDTTYPSKVEAWIPGAKRSLTNQNAAIGDDYATDSLNKPDDLKQYIFMTDSKGTATDVSGPVEINTAISPAKVQIIVKAGGKEQTFTADKDVSIQPSPSFDEMNYQFNALEIDGSGLNFINNSASIDVTFTAFAEDGRKLGYESFSIPVTLKVSTDNALTLHHNENGAQYMQWQSYRTRLNTLFARQLVARATTGIDTILSMETQNIQEPQLGKGFYATFVIPPYNLSTHGDERWFKLYIKHVVDNNSHIIYSGQLTDTNINITLFIPLDDVPLNQDYHAKVYMTFKKSPSDGTWWGPHFVRDDKGIVTINPKSILTHFESVNVLNNISSEPMDFSGANSLYFWELFYYTPMLVAQRLLHEQNFDEANRWLKYVWSPSGYIVHGQIQNYQWNVRPLLEDTSWNSDPLDSVDPDAVAQHDPMHYKVSTFMRTLDLLIARGDHAYRQLERDTLNEAKMWYMQALHLLGDKPYLPLSTTWSDPRLDRAADITTQNAHDSAIVALRQNIPTPAPLSLRSANTLTDLFLPQINEVMMNYWQTLAQRVYNLRHNLSIDGQPLYLPIYATPADPKALLSAAVATSQGGGKLPESFMSLWRFPHMLENARGMVSQLTQFGSTLQNIIERQDAEALNALLQNQAAELILTNLSIQDKTIEELDAEKTVLEKSKAGAQSRFDSYGKLYDENINAGENQAMTLRASAAGLTTAVQASRLAGAAADLVPNIFGFAGGGSRWGAIAEATGYVMEFSANVMNTEADKISQSETYRRRRQEWEIQRNNAEAELKQIDAQLKSLAVRREAAVLQKTSLKTQQEQTQSQLAFLQRKFSNQALYNWLRGRLAAIYFQFYDLAVARCLMAEQAYRWELNDDSARFIKPGAWQGTYAGLLAGETLMLSLAQMEDAHLKRDKRALEVERTVSLAEVYAGLPKDNGPFSLAQEIDKLVSQGSGSAGSGNNNLAFGAGTDTKTSLQASVSFADLKIREDYPASLGKIRRIKQISVTLPALLGPYQDVQAILSYGDKAGLANGCEALAVSHGMNDSGQFQLDFNDGKFLPFEGIAIDQGTLTLSFPNASMPEKGKQATMLKTLNDIILHIRYTIK

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