Orange: nodes, hubs and links specific of ep_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ep_on network

Index: hub id, click on each number to highlight the corresponding hub in the 3D visualization.

Hub: the hub being considered.

Owner: the name of the network the hub belong to or "Shared" if the corresponding hub is present in both networks.

Avg Int. Strength: the average interaction strength of all the links of the corresponding hub in the corresponding network.

Num Of Links: the number of links of the corresponding hub in the corresponding network.

ConSurf: this column reports the ConSurf conservation grades of each hub.


Index Hub Owner ep_off Avg Int. Strength ep_on Avg Int. Strength ep_off Num Of Links ep_on Num Of Links ConSurf
11x39 ep_off10033.3333427
21x54 ep_off00428
32x39 ep_off1000438
4E1x50 ep_off1000536
5E1x51 ep_off00424
63x33 ep_off10025417
73x37 ep_off500428
83x39 ep_off1000419
93x50 ep_off10022.2222529
104x38 ep_off1000528
114x59 ep_off00428
125x51 ep_off00427
136x38 ep_off00417
146x58 ep_off10033.3333426
156x59 ep_off500436
167x34 ep_off1000436
177x35 ep_off10016.6667436
18I1 Shared10016.6667846
193x34 Shared10033.3333457
203x35 Shared10050447
213x51 Shared027.7778448
22I2x53 Shared10016.6667548
23E2 Shared10010021225
24E2x51 Shared10033.3333546
255x39 Shared10058.3333448
266x54 Shared10016.6667466
27E3 Shared10066.6667462
28Lig Shared10010012140
292x46 ep_on033.3333149
302x50 ep_on030.5556249
31E1 ep_on033.3333054
323x46 ep_on00349
334x40 ep_on00145
344x50 ep_on038.8889278
355x58 ep_on016.6667249
365x69 ep_on00145
375x72 ep_on00040
386x29 ep_on00247
396x30 ep_on00158
406x37 ep_on00348
416x48 ep_on033.3333148
427x39 ep_on058.3333267
437x45 ep_on5033.3333359
447x49 ep_on033.3333359
457x50 ep_on00349
467x53 ep_on080.5555359
477x55 ep_on00046
   
Orange: nodes, hubs and links specific of ep_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ep_on network

Index: link id, click on each number to highlight the corresponding link in the 3D visualization.

Node1 Node2: the two nodes of the corresponding link.

Owner: the name of the network the link belong to or "Shared" if the corresponding link is present in both networks.

Recurrence: the relative Recurrence in the filtered pool of shortest paths.

Hub1?, Hub2?: "Yes" if the corresponding node has more than 3 links, otherwise "No".

ConSurf1, ConSurf2: these columns report the ConSurf conservation grades of the two nodes involved in a link.


Index Node1 Node2 Owner ep_off Recurrence ep_on Recurrence ep_off Hub1? ep_on Hub1? ep_off Hub2? ep_on Hub2? ConSurf1 ConSurf2
12x64 Lig ep_off11.86455.702NoNoYesYes60
21x42 Lig ep_off11.86455.17184NoNoYesYes80
31x42 7x47 ep_off10.21270NoNoNoNo88
45x39 E2 ep_off74.37028.13035YesYesYesYes85
55x39 5x42 ep_off78.18680YesYesNoNo85
64x56 5x42 ep_off78.69213.9521NoNoNoNo75
74x56 5x46 ep_off70.33490NoNoNoNo76
85x46 5x50 ep_off99.32121.72765NoNoNoNo68
93x40 5x50 ep_off99.77373.4516NoNoNoNo88
103x40 5x51 ep_off1000NoNoYesNo87
115x51 6x49 ep_off27.68890YesNoNoNo77
126x49 6x50 ep_off26.18043.89649NoNoNoNo79
136x50 7x40 ep_off24.65681.9501NoNoNoNo98
146x47 7x40 ep_off23.11810NoNoNoNo98
153x39 7x45 ep_off15.06260YesNoNoYes99
163x39 7x46 ep_off11.87211.31613YesNoNoNo99
172x54 7x46 ep_off10.22020NoNoNoNo89
185x51 6x45 ep_off98.9440YesNoNoNo76
195x54 6x45 ep_off98.73280NoNoNoNo86
205x54 6x41 ep_off95.41410NoNoNoNo88
213x43 6x41 ep_off39.43280NoNoNoNo88
223x43 3x46 ep_off38.27120NoNoNoYes89
232x43 3x46 ep_off50.10560NoNoNoYes89
242x43 2x47 ep_off29.18240NoNoNoNo88
251x50 2x47 ep_off19.87480NoNoNoNo98
261x50 7x50 ep_off16.81250.975049NoNoNoYes99
272x43 7x53 ep_off23.86480NoNoNoYes89
286x36 7x53 ep_off14.63270NoNoNoYes89
296x37 6x41 ep_off55.91340NoYesNoNo88
302x39 6x37 ep_off50.09050YesNoNoYes88
312x39 6x33 ep_off15.10030YesNoNoNo89
326x33 I1 ep_off14.71560NoNoYesYes96
332x39 3x50 ep_off42.58560YesNoYesNo89
343x50 I2x53 ep_off13.78040YesNoYesYes98
353x50 4x38 ep_off14.37620YesNoYesNo98
363x49 3x50 ep_off15.92250NoNoYesNo99
372x42 4x46 ep_off14.14240NoNoNoNo88
383x33 E2x51 ep_off20.68192.00942YesNoYesYes76
393x33 5x43 ep_off25.52420YesNoNoNo77
403x37 5x43 ep_off26.32372.30601YesNoNoNo87
413x37 4x53 ep_off34.90723.61102YesNoNoNo88
423x38 4x53 ep_off30.39670NoNoNoNo88
433x34 3x38 ep_off28.11890YesYesNoNo78
44E2 E2x51 ep_off14.00664.47484YesYesYesYes56
45E1x50 E2 ep_off17.46126.42494YesNoYesYes65
463x47 5x54 ep_off16.81250NoNoNoNo98
473x47 5x57 ep_off15.19843.89649NoNoNoNo97
483x51 5x57 ep_off11.92490YesYesNoNo87
49I2x53 I2x57 ep_off10.92177.96352YesYesNoNo87
504x41 I2x57 ep_off18.77360NoNoNoNo57
514x41 I2x56 ep_off15.68110NoNoNoNo55
524x38 I2x57 ep_off10.92170YesNoNoNo87
536x55 E2 ep_off14.43660NoNoYesYes75
545x44 6x55 ep_off12.87520NoNoNoNo77
555x44 6x56 ep_off11.08011.32355NoNoNoNo76
565x58 6x38 ep_off15.17570NoYesYesNo97
573x37 5x46 ep_off28.79770YesNoNoNo86
58E2 Lig Shared34.183157.3499YesYesYesYes50
596x47 7x45 Shared19.995511.9601NoNoNoYes99
602x42 3x49 Shared15.733948.3965NoNoNoNo89
613x34 3x35 Shared16.503229.3034YesYesYesYes77
625x58 6x37 Shared16.706936.5884NoYesNoYes98
632x39 3x46 Shared14.293311.8415YesNoNoYes89
647x46 Lig ep_on099.062NoNoYesYes90
652x50 7x46 ep_on0100NoYesNoNo99
662x50 7x50 ep_on031.9542NoYesNoYes99
677x49 7x50 ep_on032.8884NoYesNoYes99
687x45 7x49 ep_on3.3413849.6719NoYesNoYes99
692x46 2x50 ep_on070.793NoYesNoYes99
702x46 7x49 ep_on037.7377NoYesNoYes99
712x46 3x46 ep_on052.7083NoYesNoYes99
722x42 3x46 ep_on049.2455NoNoNoYes89
733x49 I2x53 ep_on045.7272NoNoYesYes98
742x56 Lig ep_on038.6386NoNoYesYes70
752x56 3x31 ep_on035.6987NoNoNoNo75
763x31 3x35 ep_on6.9014932.7068NoNoYesYes57
773x34 4x50 ep_on4.8951620.2239YesYesNoYes78
784x46 4x50 ep_on011.6079NoNoNoYes88
792x45 4x46 ep_on010.3474NoNoNoNo88
806x48 7x45 ep_on024.6395NoYesNoYes89
815x51 6x48 ep_on014.7629YesNoNoYes78
825x51 6x52 ep_on013.0909YesNoNoNo77
837x49 7x53 ep_on038.1233NoYesNoYes99
843x46 7x53 ep_on028.6694NoYesNoYes99
856x40 7x53 ep_on8.5759543.703NoNoNoYes89
863x50 6x40 ep_on042.2089YesNoNoNo98
873x50 6x37 ep_on040.9335YesNoNoYes98
883x51 5x58 ep_on024.2798YesYesNoYes89
893x53 I2x53 ep_on1.7725139.8287NoNoYesYes98
903x53 3x54 ep_on038.9946NoNoNoNo99
913x54 5x61 ep_on5.1968637.4263NoNoNoNo99
925x61 5x65 ep_on036.7886NoNoNoNo99
935x65 6x30 ep_on014.3254NoNoNoYes98
945x65 6x33 ep_on023.4753NoNoNoNo99
956x33 8x48 ep_on013.9287NoNoNoNo96
968x48 8x49 ep_on013.1279NoNoNoNo67
976x44 7x45 ep_on010.2732NoNoNoYes89

Here, those paths that begin and end at given residue pair(s) or that pass through a residue are used to generate a novel metapath. Such a path filtering is particularly recommended if some information on allosteric residues is available. The selection syntax for a residue pair ("Pairs") is C:C:c534,A:A:?600 (the lower-case "c" stands for cytosine and "?" indicates any non standard amino acid or nucleotide residue). Selection of more than one apical residue pair has the following syntax: C:C:c534,A:A:?600,C:C:c534,A:A:E41. Only one residue can be selected as a tail ("Tail"). For midway residue(s), each residue must be separated by a comma as well e.g. A:A:?600,A:A:E41.

Midway



Download PSN data

2D representation of the global metapath, ligand(s) interactions and
histograms of path distribution according to several parameters
(click on the image to enlarge it 🔍):

A 2D representation of the global communication in the network.

Number of shortest communication paths as a function of the average residue correlation.

Number of shortest communication paths as a function of the average interaction strength of their links.

Number of shortest communication paths as a function of the % of hub nodes in each path.

Number of shortest communication paths as a function of the number of nodes in each path.

Number of shortest communication paths as a function of the % of correlated nodes in each path.


2D representation of the interactions of this orthosteric/allosteric ligand.


Node1Node2OwnerNet1LinkStrengthNet2LinkStrengthComm1Comm2Node1ShellNode2Shell
1x362x64Shared3.795.83750021
1x381x39ep_off3.3901011
1x38Ligep_off3.9101010
1x392x60ep_off3.501011
1x392x61Shared4.2351.861012
1x39LigShared3.3756.883891010
1x427x47ep_off4.3700112
1x432x57Shared15.8511.80860021
2x503x39ep_off20.2503222
2x542x57ep_off3.200011
2x547x46ep_off5.2500011
2x572x58Shared5.342.996110012
2x60LigShared10.615.556941110
2x64LigShared12.8553.410280110
E1x50E2Shared3.424.778331121
E1x50E2x50ep_off7.8401122
3x25E2ep_off6.8901021
3x25E2x50Shared7.287.281022
3x26E2Shared5.753.676941121
3x29E2Shared6.48.043890021
3x32E2x51Shared6.095.199720012
3x32LigShared4.748.658610010
3x397x46Shared10.093.242223021
4x594x60ep_off3.2801122
4x59E2Shared11.073.973611121
4x595x39ep_off5.8601122
4x60E2Shared4.0610.19061121
4x605x39Shared10.4355.404171122
5x39E2Shared6.8653.956671121
5x36E2Shared18.627.749171121
E2E2x50Shared8.22.985561112
E2E2Shared12184.97251111
E2E2x51Shared18.1259.506671112
E2E3Shared15.56517.23971112
E2LigShared10.83510.17281110
7x34E2Shared10.059.739721121
7x35E2Shared5.6915.34671111
7x38E2Shared13.5055.76251011
6x55E2ep_off4.2901021
6x58E2Shared25.994.049171121
6x59E2ep_off3.22501021
5x33E2ep_off4.7601021
5x335x36Shared4.8454.26751022
6x58E3ep_off5.70501122
6x587x34ep_off12.1201122
E3E3Shared26.17522.75831122
7x327x35ep_off13.04500021
7x357x39Shared4.259.111111111
7x35LigShared4.744.171951110
7x38Ligep_off10.74501010
7x39LigShared38.6857.899721110
7x42LigShared12.8513.81220010
7x43Ligep_off3.0600010
2x563x32ep_off2.9800011
1x352x64ep_off2.7800021
3x365x43ep_off2.5400012
3x28E1x50ep_off2.4700022
1x42LigShared1.946.775830110
4x594x63ep_off1.7101122
5x335x35ep_off1.701022
1x387x39ep_on05.393891011
1x427x39ep_on03.685560111
2x507x46ep_on07.61753221
2x54Ligep_on011.23940010
2x563x31ep_on04.4450012
2x56Ligep_on05.198890010
2x57Ligep_on06.676940010
2x64E2ep_on08.913890111
3x36Ligep_on03.326110010
7x32E3ep_on03.60750022
7x46Ligep_on04.465280010
2x563x28ep_on04.123890012
2x60E2ep_on03.173331111
7x34E3ep_on03.715561122
6x477x43ep_on02.760280021
7x437x47ep_on02.614170012
E1x49E2ep_on02.48750121
1x351x36ep_on01.582220022
5x35E2ep_on01.51750021
7x367x39ep_on01.427780021
1x411x42ep_on01.130021
5x436x55ep_on01.040022
7x39NTep_on00.5166671112
4x63E2ep_on00.2850021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
ep_off ep4_off
ep_on ep4_on
ep2_on
ep3_on
Network Difference
Value ep_off ep_on
Imin 3.075 2.99417
Number of Linked Nodes 226 260
Number of Specific Nodes 1 (0.44%) 35  (13.46%)
Number of Shared Nodes 225 (99.56%) 225  (86.54%)
Number of Links 257 279
Number of Specific Links 151 (58.75%) 173  (62.01%)
Number of Shared Links 106 (41.25%) 106  (37.99%)
Number of Hubs 28 30
Number of Specific Hubs 17 (60.71%) 19  (63.33%)
Number of Shared Hubs 11 (39.29%) 11  (36.67%)
Average % Shared Neighbours (Jaccard) 25.31
Average % Shared Neighbours (Otsuka) 33.16
Average % Shared Neighbours (Overlap Coefficient) 40.33
Average % Shared Cliques (k3-6) 52.34
Graphlets Similarity 0.509059
Paths Difference
Value ep_off ep_on
Number Of Nodes in MetaPath 61 39
Specific Nodes in MetaPath 40 (65.57%) 18  (46.15%)
Shared Nodes in MetaPath 225 (99.56%) 225  (99.56%)
Number Of Links MetaPath 63 40
Specific Links in MetaPath 57 (90.48%) 34  (85.00%)
Shared Links in MetaPath 106 (41.25%) 106  (41.25%)
Number of Shortest Paths 27740 46329
Length Of Smallest Path 3 3
Average Path Length 13.5544 13.1766
Length of Longest Path 27 31
Minimum Path Strength 1.395 0.597917
Average Path Strength 6.58788 4.40717
Maximum Path Strength 25.77 13.7416
Minimum Path Correlation 0.7 0.700833
Average Path Correlation 0.916982 0.90055
Maximum Path Correlation 0.99 0.984167
Minimum % Of Corr. Nodes 4.16667 3.57143
Average % Of Corr. Nodes 45.4158 39.2748
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 29.3075 45.1409
Maximum Path Hubs % 100 100

Details about the values in these tables can be found in the corresponding documentation page .

You can download a compressed (zip) file with structure(s), 3D outputs (as PyMol and VMD scripts) and numerical data files (as csv and plain text files).

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