Orange: nodes, hubs and links specific of adenosine_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of adenosine_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 adenosine_off Avg Int. Strength adenosine_on Avg Int. Strength adenosine_off Num Of Links adenosine_on Num Of Links ConSurf
11x50 adenosine_off037.5439
21x55 adenosine_off00434
31x60 adenosine_off500426
4E1x50 adenosine_off00433
53x49 adenosine_off350539
63x50 adenosine_off850539
73x53 adenosine_off500428
83x54 adenosine_off00539
9I2x52 adenosine_off00425
106x24 adenosine_off00512
116x59 adenosine_off650434
127x45 adenosine_off250439
137x56 adenosine_off100527
148x54 adenosine_off00427
151x35 Shared2593.75555
161x39 Shared5093.75546
17I1x50 Shared3543.75558
182x40 Shared2075468
192x42 Shared100458
202x50 Shared40100559
212x57 Shared90100646
223x37 Shared1000546
23I2x53 Shared3550457
24E2 Shared10010018183
255x39 Shared100100776
265x40 Shared8043.75645
275x44 Shared7575545
285x461 Shared5050458
296x30 Shared00446
306x44 Shared10037.5559
316x48 Shared70100558
32E3 Shared4568.75683
337x35 Shared050453
347x42 Shared8093.75557
357x49 Shared4093.75449
367x53 Shared7093.75559
378x50 Shared7043.75669
38Lig Shared10010013110
391x32 adenosine_on00144
402x46 adenosine_on00349
413x40 adenosine_on050348
423x43 adenosine_on031.25248
434x56 adenosine_on06.25245
444x61 adenosine_on00245
45E2x52 adenosine_on00344
465x42 adenosine_on075345
475x58 adenosine_on0100369
486x43 adenosine_on00346
497x39 adenosine_on050355
508x53 adenosine_on00246
   
Orange: nodes, hubs and links specific of adenosine_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of adenosine_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 adenosine_off Recurrence adenosine_on Recurrence adenosine_off Hub1? adenosine_on Hub1? adenosine_off Hub2? adenosine_on Hub2? ConSurf1 ConSurf2
11x35 Lig adenosine_off12.05630YesYesYesYes50
23x39 6x44 adenosine_off1000NoNoYesYes99
32x50 3x39 adenosine_off53.04671.90903YesYesNoNo99
42x46 3x39 adenosine_off47.20980NoYesNoNo99
57x49 7x53 adenosine_off99.85940YesYesYesYes99
67x53 8x50 adenosine_off59.84530YesYesYesYes99
78x50 8x54 adenosine_off11.58480YesYesYesNo97
82x43 7x53 adenosine_off40.45880NoNoYesYes89
92x40 2x43 adenosine_off39.77831.8613YesYesNoNo88
102x40 8x50 adenosine_off41.1026.34752YesYesYesYes89
112x37 3x53 adenosine_off78.71890NoNoYesNo78
123x53 I2x53 adenosine_off12.19493.04343YesNoYesYes87
132x45 4x50 adenosine_off17.69050NoNoNoNo99
143x40 6x44 adenosine_off28.91956.78072NoYesYesYes89
153x37 3x40 adenosine_off26.6050YesYesNoYes68
163x53 6x30 adenosine_off55.91130YesNoYesYes86
173x54 6x30 adenosine_off50.36820YesNoYesYes96
183x54 5x61 adenosine_off27.62279.55248YesNoNoNo99
193x51 5x61 adenosine_off26.20580NoNoNoNo79
203x51 3x55 adenosine_off19.23141.97878NoNoNoNo77
213x55 3x56 adenosine_off17.47750NoNoNoNo76
223x56 I2x52 adenosine_off13.95715.86659NoNoYesNo65
236x52 Lig adenosine_off14.14120NoNoYesYes70
245x44 6x52 adenosine_off10.1390.0110136YesYesNoNo57
257x45 7x48 adenosine_off17.69260YesNoNoNo96
266x43 7x48 adenosine_off16.75151.30328NoYesNoNo66
276x39 6x43 adenosine_off13.90343.7226NoNoNoYes66
286x39 7x56 adenosine_off12.93332.42667NoNoYesNo67
293x54 5x68 adenosine_off17.34090YesNoNoNo97
305x68 6x27 adenosine_off14.44730NoNoNoNo71
315x69 6x27 adenosine_off12.69340NoNoNoNo41
327x41 7x42 adenosine_off12.23010NoNoYesYes77
336x48 7x41 adenosine_off13.11952.94431YesYesNoNo87
345x69 6x24 adenosine_off10.9270NoNoYesNo42
356x44 7x45 adenosine_off15.80420YesYesYesNo99
366x48 Lig Shared57.971497.3788YesYesYesYes80
376x44 6x48 Shared66.087555.2663YesYesYesYes98
382x46 7x49 Shared47.122929.9607NoYesYesYes99
392x50 7x49 Shared54.343521.1425YesYesYesYes99
402x37 2x40 Shared80.348757.2782NoNoYesYes78
41E2 Lig Shared22.865556.5256YesYesYesYes30
423x37 4x53 Shared21.802319.7915YesYesNoNo68
433x38 4x53 Shared20.780617.3428NoNoNoNo78
443x38 4x50 Shared19.754712.4234NoNoNoNo79
452x45 4x46 Shared15.609797.2686NoNoNoNo98
461x35 7x39 adenosine_on2.9287714.6995YesYesNoYes55
471x35 7x38 adenosine_on025.838YesYesNoNo55
487x38 Lig adenosine_on3.2328126.6897NoNoYesYes50
496x48 7x45 adenosine_on5.6093341.1469YesYesYesNo89
507x45 7x49 adenosine_on040.5301YesNoYesYes99
512x50 7x46 adenosine_on8.5298320.6322YesYesNoNo99
521x50 2x50 adenosine_on5.3880213.231YesNoYesYes99
533x43 6x44 adenosine_on5.8802861.0118NoYesYesYes89
542x46 3x43 adenosine_on077.4111NoYesNoYes98
552x46 3x42 adenosine_on0100NoYesNoNo98
562x45 3x42 adenosine_on1.1024298.638NoNoNoNo98
572x42 4x46 adenosine_on9.2682295.8919YesYesNoNo88
582x42 3x49 adenosine_on078.7107YesYesYesNo89
592x39 3x49 adenosine_on0.0082733560.674NoNoYesNo89
602x37 2x39 adenosine_on058.8862NoNoNoNo78
612x40 I1x50 adenosine_on1.0114234.7149YesYesYesYes88
628x53 I1x50 adenosine_on028.0664NoYesYesYes68
638x52 8x53 adenosine_on025.3534NoNoNoYes46
648x48 8x52 adenosine_on0.89145418.9912NoNoNoNo44
658x48 8x51 adenosine_on2.6185217.1959NoNoNoNo48
667x55 8x51 adenosine_on012.5372NoNoNoNo68
671x57 2x40 adenosine_on012.8969NoNoYesYes88
683x49 I2x53 adenosine_on5.11519.5602YesNoYesYes97
692x53 7x46 adenosine_on7.4853113.231NoNoNoNo89
705x42 E2 adenosine_on6.4511534.6305NoYesYesYes53
714x56 5x42 adenosine_on015.8413NoYesNoYes55
723x37 4x56 adenosine_on0.78183213.4843YesYesNoYes65
735x42 5x461 adenosine_on7.5101319.3509NoYesYesYes58
743x37 5x461 adenosine_on8.1244313.6055YesYesYesYes68
753x43 7x53 adenosine_on041.3965NoYesYesYes89
765x54 6x44 adenosine_on038.1512NoNoYesYes89
775x54 5x58 adenosine_on037.3692NoNoNoYes89
783x47 5x58 adenosine_on2.2027813.7193NoNoNoYes99
793x47 5x57 adenosine_on1.1024211.7809NoNoNoNo96
803x52 I2x53 adenosine_on011.6708NoNoYesYes57
815x58 6x37 adenosine_on4.1201350.2001NoYesNoNo98
825x61 6x37 adenosine_on015.129NoNoNoNo98
832x42 4x42 adenosine_on016.1717YesYesNoNo87
844x39 4x42 adenosine_on012.6657NoNoNoNo37
854x38 4x39 adenosine_on1.7932510.8778NoNoNoNo83
866x40 7x53 adenosine_on017.3685NoNoYesYes89
875x58 6x40 adenosine_on017.0785NoYesNoNo98
885x62 6x37 adenosine_on034.5167NoNoNoNo68
895x62 6x30 adenosine_on031.0731NoNoYesYes66
905x66 6x30 adenosine_on016.748NoNoYesYes56
915x66 5x70 adenosine_on012.9006NoNoNoNo50
925x70 6x26 adenosine_on010.9512NoNoNoNo03
937x52 7x53 adenosine_on010.0261NoNoYesYes89
947x34 Lig adenosine_on1.5967610.1619NoNoYesYes40
953x50 7x53 adenosine_on017.1959YesNoYesYes99
963x50 5x58 adenosine_on016.983YesNoNoYes99
977x42 Lig adenosine_on012.3646YesYesYesYes70
982x46 2x50 adenosine_on0.057913515.7091NoYesYesYes99
993x43 7x49 adenosine_on011.5019NoYesYesYes89

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
1x322x64Shared5.283.960122
1x351x39Shared15.038522.65871112
1x352x64Shared7.39555.876251112
1x357x35Shared10.377510.08881111
1x357x39Shared3.19653.286251112
1x35Ligadenosine_off3.438501110
1x392x57Shared8.19756.236251122
1x397x39adenosine_off3.88101122
1x397x42Shared11.44910.38561121
2x563x32adenosine_off4.015500021
2x577x42Shared6.89357.04251121
E1x51E2Shared9.050.4043750021
3x213x23adenosine_off4.082501122
3x21E2Shared6.033.931121
3x22E2Shared24.7518.67370021
3x23E2adenosine_off7.503501021
3x25E2Shared7.13754.696251121
3x26E2Shared12.2049.135620121
3x32LigShared4.49654.416870010
3x335x39Shared5.04254.689371122
3x335x40adenosine_off4.09901121
3x366x48adenosine_off9.365500011
3x406x44Shared5.8395.023130122
4x594x60Shared3.67454.046881122
4x595x39Shared6.11953.280621122
4x605x39Shared14.535512.78061122
5x36E2Shared15.4524.936251121
5x39E2Shared13.4328.578751121
5x42E2Shared5.86454.6351121
E2E2Shared68.605538.871111
E2E2x51Shared10.21457.83751112
E2E2x52Shared12.408512.471111
5x40E2x52adenosine_off4.043501111
E2x52LigShared36.391531.64691110
E2LigShared7.01957.456871110
5x365x38Shared5.07555.26251122
5x376x55Shared6.37954.559370021
5x376x58adenosine_off3.462500022
5x395x40Shared4.60753.965631121
5x395x42Shared8.4085.483131122
5x395x43Shared5.7553.198751122
5x405x43Shared4.90656.046251112
5x406x55Shared3.9273.328751111
5x40LigShared4.3433.923131110
5x445x47Shared4.98054.421251122
5x446x52Shared24.32515.771121
5x476x52Shared6.712510.20311121
6x446x48Shared14.93510.27121121
6x447x45adenosine_off7.491501122
6x487x41Shared11.85555.57751112
6x487x45Shared3.8429.110631112
6x48LigShared5.0793.413751110
6x51LigShared16.78259.468120010
6x547x34adenosine_off3.5200021
6x55LigShared12.8817.741110
6x61E3Shared11.54056.503750021
7x317x35Shared5.3074.890021
7x34LigShared4.20252.058130110
7x35Ligadenosine_off6.67301110
7x387x42Shared4.5764.145630111
7x38LigShared10.9758.206870110
7x417x42adenosine_off3.546500021
3x335x43Shared4.05253.515621122
5x38E2adenosine_off5.460501021
6x52Ligadenosine_off3.5901110
6x58E3Shared7.24955.080630021
E3Ligadenosine_off3.30301110
E2E3adenosine_off4.61701111
3x29E2Shared3.1552.828750021
6x517x37Shared2.7582.998750012
6x57E3Shared2.30652.23750121
2x607x42Shared2.19753.384380021
7x30E3Shared2.15252.766881121
4x63E2Shared1.3592.120021
1x317x35adenosine_off1.10500021
1x327x35adenosine_on03.71750121
1x357x38adenosine_on09.595621111
2x647x35adenosine_on03.80750121
3x33E2x52adenosine_on03.273131121
3x36Ligadenosine_on010.96750010
3x406x48adenosine_on016.88310121
4x59E2adenosine_on03.48751121
4x60E2adenosine_on03.345621121
6x517x41adenosine_on05.344370012
E3E3adenosine_on03.141881111
7x34E3adenosine_on03.1450111
7x42Ligadenosine_on06.59751110
6x54E3adenosine_on02.9950021
3x405x47adenosine_on02.88250122
2x63E2x52adenosine_on02.353750021
2x66E2adenosine_on02.071250121
1x337x35adenosine_on01.3350021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
adenosine_off a1_off
a2_off
adenosine_on a1_on
a2_on
Network Difference
Value adenosine_off adenosine_on
Imin 3.1825 3.12812
Number of Linked Nodes 275 266
Number of Specific Nodes 10 (3.64%) 1  (0.38%)
Number of Shared Nodes 265 (96.36%) 265  (99.62%)
Number of Links 313 300
Number of Specific Links 138 (44.09%) 125  (41.67%)
Number of Shared Links 175 (55.91%) 175  (58.33%)
Number of Hubs 38 36
Number of Specific Hubs 14 (36.84%) 12  (33.33%)
Number of Shared Hubs 24 (63.16%) 24  (66.67%)
Average % Shared Neighbours (Jaccard) 43.54
Average % Shared Neighbours (Otsuka) 53.14
Average % Shared Neighbours (Overlap Coefficient) 62.49
Average % Shared Cliques (k3-6) 56.55
Graphlets Similarity 0.693638
Paths Difference
Value adenosine_off adenosine_on
Number Of Nodes in MetaPath 44 59
Specific Nodes in MetaPath 22 (50.00%) 37  (62.71%)
Shared Nodes in MetaPath 265 (96.36%) 265  (96.36%)
Number Of Links MetaPath 45 64
Specific Links in MetaPath 35 (77.78%) 54  (84.38%)
Shared Links in MetaPath 175 (55.91%) 175  (55.91%)
Number of Shortest Paths 75984 58679
Length Of Smallest Path 3 3
Average Path Length 14.6795 13.8767
Length of Longest Path 33 33
Minimum Path Strength 0.262333 0.445312
Average Path Strength 5.61616 5.4213
Maximum Path Strength 21.4355 20.5575
Minimum Path Correlation 0.7045 0.703125
Average Path Correlation 0.914885 0.922394
Maximum Path Correlation 0.99 0.989375
Minimum % Of Corr. Nodes 3.7037 3.44828
Average % Of Corr. Nodes 39.9387 44.5787
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 50.1663 44.8289
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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