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Fragment Libraries			Alanine Scanning			DNA Interface Scan
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Job 85048 [SSGCID - NegoA.17946.a] [2018-08-01] [D-172-16-30-137.dhcp4.x.x] [Structure] [Complete] DNA ligase - BATCH:85027

Features and Secondary Structure

1 . 10 . 20 . 30 . 40 . 50 . 60 . 70 . 80 . 90 . 100 . 110 . 120 . 130 . 140 . 150 . 160 . 170 . 180 . 190 . 200 . 210 . 220 . 230 . 240 . 250 . 260 . 270 . 280 . 290 . 300 . 310 . 320 . 330 . 340 . 350 . 360 . 370 . 380 . 390 . 400 . 410 . 420 . 430 . 440 . 450 . 460 . 470 . 480 . 490 . 500 . 510 . 520 . 530 . 540 . 550 . 560 . 570 . 580 . 590 . 600 . 610 . 620 . 630 . 640 . 650 . 660 . 670 . 680 . 690 . 700 . 710 . 720 . 730 . 740 . 750 . 760 . 770 . 780 . 790 . 800 . 810 . 820

MNPTAQRIHELTDLLNRYAYEYYTLDAPSIPDAEYDRLFRELEALERNHPELKLPDSPTQRVGGEPLAGFAEVRHEVPMLSLTNAFSPQDENGVFDHAEMYAFDQRVRDGLDGGNPEYVIEPKFDGLAISLLYRDGVLVQAATRGDGTTGEDVTRNVKTVSNIPLRLHGENVPELIEVRGEVLMLKADFAGLNKRQAENGQKPFANPRNAAAGSLRQLDSRITAQRKLHFFPYSIARQQGGFEAEEHIQELAYFQELGFSLPNGNFGCFKNIGEVLAFYEHMQQKRPELPYEIDGMVVKVNSLAQQRELGFISRAPRWAVAHKFPAEEALTIVEAIDVQIGRTGAVTPVARLQPVFVGGVTVTNATLHNQDEVSRKDVRVGDTVVVRRAGDVIPEVVRVIFERRPMQETAVAVSDGIGHQQDDLFAETPSAKQTESVPLHKPYRLPARCPICRSEIEREEGEAVARCSGGMLCQAQRAQGLIHFASRKAMDIDGLGEKQIEQLVAQDLVRHFADLYRIDIPTLQKMKETADKGSSENENGDAETVSGDLSKYNTQNGKKQPTKWAQNILAGIESGKTPELARFLFALGIRHVGERTAKTLAQAFGTLERVRRAPEPVLACLPDIGTVVARSIAHFFAQAEQQAMIDELLAAGVAPQAQAVSLPAAQYAGPQRWITRLPGFKISENKAQALWELAGQSIEGLQNDKALPADWQAWRSKAQNTALLENLKTFFAQMPSEDEAAQGSDGINKAVAGKTFVLTGTLPTFKRDQAQALIEAAGGKVSGSVSKKTDYVVAGEAAGSKLEKANALGVSVLSEAELLTLLC

tmhmm (0)
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low complexity (2%)
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coiled-coils (0%)
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disordered (5%)
XXX-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------XXXXXXXXXX--------------------------------------------------------------------------------------------------------------------XXXXXXXXXXX---------------------------------------------------------------------XXXXXXXXXXXXXX-------------------------------------------------------------------------

psipred
--HHHHHHHHHHHHHHHHHHHHH--------HHHHHHHHHHHHHHHHHH-----------------------EE-------------HHHHHHHHHHHHHHHHHHHHHH-------EEEEEE---EEEEEEEEE--EEEEEEE---------HHHHH-HH----HH--------EEEEEEEEE--HHHHHHHHHHHHH--------HHHHH--------HHHHHH---EEEEE-------------HHHHHHHHHH---------EEE---HHHHHHHHHHHHHH-----EEE--EEEEE--HHHHHH----------EEEE---HHEEEEEEEEEEEEE---EEEEEEEEEEEEEE--EEEEEEEE--HHHHHH-------EEEEEE-------EEEEE------------------------------------------------------EEEE----EEEEE------HHHHHHHHHE-------------HHHHHHHHHH-----HHHHHH--HHHHH----------------------HHHHHHHH--------HHHHHHHHHHHHH----HHHHHHH----EE-HHHHHHHHHHH--HHHHHH--HHHHHH------HHHHHHHHHHH--HHHHHHHHHHH---------------------HHHHHHHHHHHHHHHHHHHHHHH-----------EEEEEE-HH---HHHHHHHHHHHHH--------HH--------------EEEE--------HHHHHHHHHH---EEE-------EEEEE-----HHHHHHHH---EEE-HHHHHHHH-

# SignalP-4.0 gram- predictions
# Measure  Position  Value  Cutoff  signal peptide?
  max. C    20	    0.112
  max. Y    44	    0.111
  max. S    36	    0.145
  mean S     1-43   0.099
       D     1-43   0.105    0.570  NO
Name=tmp_signalp_seq	SP='NO' D=0.105 D-cutoff=0.570 Networks=SignalP-noTM

Domain Repeats Prediction

Boundary STD (+/-) Consensus

-- -- --

Ginzu Domain Prediction 1

Domain Span Source Reference Parent Parent Span Confidence Annotations

1-414 alignment 5tt5A_201 1-581 0.635700 --

415-475 alignment 2owoA_201 1-586 0.736100 LIGASE/DNA

476-581 alignment 5tt5A_201 1-581 0.607700 --

582-645 alignment 4glxA_101 1-573 0.858100 LIGASE/LIGASE INHIBITOR/DNA

646-703 alignment 5d4bB_103 1-349 0.307500 --

704-823 alignment 2xnkA_101 1-291 0.607600 ISOMERASE

PSI-BLAST Sequence Hits (Top 20 by Identity) ALL DATA

TaxID Species Alignments PSI-Blast Data (alignment with lowest E value)

E value Query Span Sbjct Span Bit Score Identity HSP Length Accession Description

940296 Neisseria gonorrhoeae TCDC-NG08107 1 (0.03%) 0.0 1-823 1-823 1104 100 823 ref|YP_002000994.1| putative DNA ligase [Neisseria gonorrhoeae NCCP11945] ref|YP...

528346 Neisseria gonorrhoeae 35/02 1 (0.03%) 0.0 1-823 5-827 1104 100 823 ref|WP_003690721.1| DNA ligase [Neisseria gonorrhoeae] gb|EEZ43090.1| DNA ligase...

528358 Neisseria gonorrhoeae PID332 1 (0.03%) 0.0 1-823 7-829 1104 100 823 ref|WP_003699528.1| DNA ligase [Neisseria gonorrhoeae] gb|EEZ54222.1| DNA ligase...

528345 Neisseria gonorrhoeae 1291 1 (0.03%) 0.0 1-823 7-829 1103 100 823 ref|WP_003687575.1| DNA ligase [Neisseria gonorrhoeae] gb|EEH61525.1| DNA ligase...

528348 Neisseria gonorrhoeae DGI2 1 (0.03%) 0.0 1-823 7-829 1102 100 823 ref|WP_003692677.1| DNA ligase [Neisseria gonorrhoeae] gb|EEZ51866.1| DNA ligase...

528354 Neisseria gonorrhoeae MS11 1 (0.03%) 0.0 1-823 1-823 1102 100 823 ref|YP_008501975.1| DNA ligase [Neisseria gonorrhoeae MS11] ref|WP_010359822.1| ...

528352 Neisseria gonorrhoeae FA19 1 (0.03%) 0.0 1-823 1-823 1101 100 823 ref|WP_017146732.1| DNA ligase [Neisseria gonorrhoeae] gb|EEZ45084.2| DNA ligase...

528351 Neisseria gonorrhoeae F62 1 (0.03%) 0.0 1-823 7-829 1103 99 823 ref|WP_003696765.1| DNA ligase [Neisseria gonorrhoeae] gb|EEZ49560.1| DNA ligase...

242231 Neisseria gonorrhoeae FA 1090 1 (0.03%) 0.0 1-823 1-823 1102 99 823 ref|YP_207400.1| DNA ligase [Neisseria gonorrhoeae FA 1090] ref|WP_010951014....

485 Neisseria gonorrhoeae 1 (0.03%) 0.0 1-823 1-823 1101 99 823 ref|WP_010357094.1| DNA ligase [Neisseria gonorrhoeae]

295996 Neisseria meningitidis alpha275 2 (0.06%) 1E-179 4-400 26-422 635 95 397 emb|CBA09270.1| DNA ligase [Neisseria meningitidis alpha275]

1145126 Neisseria meningitidis 75689 1 (0.03%) 0.0 4-822 26-840 1084 93 819 ref|WP_002252837.1| DNA ligase, NAD-dependent [Neisseria meningitidis] gb|EOB551...

1145195 Neisseria meningitidis NM3223 1 (0.03%) 0.0 4-822 26-840 1082 93 819 ref|YP_005893514.1| NAD-dependent DNA ligase [Neisseria meningitidis G2136] ref|...

1145178 Neisseria meningitidis 98002 1 (0.03%) 0.0 4-822 26-840 1080 93 819 ref|WP_002245518.1| DNA ligase, NAD-dependent [Neisseria meningitidis] gb|ELK666...

935588 Neisseria meningitidis M01-240355 1 (0.03%) 0.0 4-822 26-840 1079 93 819 ref|YP_005901325.1| NAD-dependent DNA ligase [Neisseria meningitidis M01-240355]...

1095700 Neisseria meningitidis 87255 1 (0.03%) 0.0 4-822 26-840 1079 93 819 ref|WP_002244484.1| DNA ligase, NAD-dependent [Neisseria meningitidis] gb|ELK594...

1145157 Neisseria meningitidis 73696 1 (0.03%) 0.0 4-822 26-840 1078 93 819 ref|WP_002255814.1| DNA ligase, NAD-dependent [Neisseria meningitidis] gb|EOC135...

1145177 Neisseria meningitidis NM134 1 (0.03%) 0.0 4-822 26-840 1076 93 819 ref|WP_002248264.1| DNA ligase, NAD-dependent [Neisseria meningitidis] gb|ELK899...

869214 Neisseria lactamica Y92-1009 1 (0.03%) 0.0 1-822 9-826 1071 93 822 ref|WP_003713451.1| DNA ligase [Neisseria lactamica] emb|CBX22396.1| unnamed pro...

489653 Neisseria lactamica 020-06 1 (0.03%) 0.0 1-822 9-826 1071 93 822 ref|YP_004049144.1| DNA ligase [Neisseria lactamica 020-06] ref|WP_013449324.1| ...