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_off033.3333439
21x55 adenosine_off00414
3E1x50 adenosine_off00423
43x31 adenosine_off36.53850434
53x50 adenosine_off78.84620539
63x53 adenosine_off500438
73x54 adenosine_off00529
8I2x52 adenosine_off00435
96x24 adenosine_off00412
107x45 adenosine_off250439
117x56 adenosine_off00427
121x35 Shared2591.6667455
131x39 Shared48.076975556
141x60 Shared500446
15I1x50 Shared48.076925548
162x42 Shared23.076916.6667458
172x50 Shared25100459
182x57 Shared94.230866.6667646
193x37 Shared10058.3333546
203x49 Shared40.38460549
21I2x53 Shared44.2308100557
22E2 Shared10010018173
235x39 Shared10083.3333756
245x40 Shared80.769258.3333645
255x44 Shared71.1538100545
265x461 Shared5066.6667458
276x30 Shared00446
286x44 Shared10016.6667549
296x48 Shared63.4615100558
306x59 Shared73.076916.6667444
31E3 Shared38.461558.3333673
327x35 Shared033.3333443
337x42 Shared5075457
347x49 Shared2575449
357x53 Shared7591.6667659
368x50 Shared7558.3333659
37Lig Shared10010012100
382x40 adenosine_on32.692366.6667358
392x46 adenosine_on041.6667249
403x35 adenosine_on033.3333347
413x40 adenosine_on033.3333348
424x50 adenosine_on00359
434x56 adenosine_on00345
444x60 adenosine_on066.6667344
455x42 adenosine_on5.7692350345
465x58 adenosine_on050359
475x61 adenosine_on00249
485x66 adenosine_on00245
495x69 adenosine_on00244
506x51 adenosine_on00246
517x38 adenosine_on066.6667245
527x39 adenosine_on033.3333345
538x54 adenosine_on00347
   
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
11x39 2x61 adenosine_off10.28887.53466YesYesNoNo66
27x35 Lig adenosine_off22.08190YesYesYesYes30
33x32 Lig adenosine_off1000NoNoYesYes60
42x56 3x32 adenosine_off99.78022.34768NoNoNoNo66
51x50 2x50 adenosine_off10.76727.20323YesNoYesYes99
67x49 7x53 adenosine_off78.21120YesYesYesYes99
77x53 8x50 adenosine_off79.83190YesYesYesYes99
88x50 8x54 adenosine_off14.20690YesYesNoYes97
91x52 8x54 adenosine_off11.79311.87262NoNoNoYes77
108x50 I1x50 adenosine_off10.73280YesYesYesYes98
112x37 3x53 adenosine_off59.09050NoNoYesNo78
123x53 I2x53 adenosine_off21.77160.762305YesNoYesYes87
135x42 5x461 adenosine_off32.38368.03734NoYesYesYes58
143x37 5x461 adenosine_off28.84051.0385YesYesYesYes68
153x37 4x53 adenosine_off37.29310YesYesNoNo68
163x38 4x53 adenosine_off35.36641.87262NoNoNoNo78
173x38 4x50 adenosine_off33.4313.73971NoNoNoYes79
186x48 Lig adenosine_off53.75860YesYesYesYes80
193x40 6x44 adenosine_off29.254.4302NoYesYesYes89
203x37 3x40 adenosine_off26.83190YesYesNoYes68
212x42 3x46 adenosine_off11.56470YesYesNoNo89
222x53 3x35 adenosine_off15.85340NoNoNoYes87
233x37 3x41 adenosine_off16.40953.61818YesYesNoNo64
243x41 4x52 adenosine_off12.35780NoNoNoNo44
25I2x53 I2x57 adenosine_off14.45692.06043YesYesNoNo77
263x53 6x30 adenosine_off33.27590YesNoYesYes86
273x54 6x30 adenosine_off31.90950YesNoYesYes96
283x54 5x65 adenosine_off10.49140YesNoNoNo98
29I2x56 I2x57 adenosine_off14.6940NoNoNoNo47
306x52 Lig adenosine_off17.78020NoNoYesYes70
315x44 6x52 adenosine_off12.85340.0165718YesYesNoNo57
323x54 5x68 adenosine_off12.46120YesNoNoNo97
335x68 6x27 adenosine_off10.21980NoNoNoNo71
347x45 7x48 adenosine_off18.03450YesNoNoNo96
356x43 7x48 adenosine_off16.90522.19301NoNoNoNo66
366x39 6x43 adenosine_off13.46556.36911NoNoNoNo66
376x39 7x56 adenosine_off12.27594.18715NoNoYesNo67
387x38 7x42 adenosine_off19.67670.320389NoYesYesYes57
394x48 4x52 adenosine_off10.3193.04369NoNoNoNo14
402x57 7x42 adenosine_off11.16814.15401YesYesYesYes67
411x35 7x35 Shared1414.3125YesYesYesYes53
422x53 2x56 Shared99.426726.9292NoNoNoNo86
432x53 7x46 Shared93.922430.4425NoNoNoNo89
442x50 7x46 Shared91.465545.3682YesYesNoNo99
452x50 7x49 Shared82.099127.7799YesYesYesYes99
462x40 8x50 Shared58.581932.6852NoYesYesYes89
472x37 2x40 Shared60.099152.7537NoNoNoYes78
48E2 Lig Shared47.038849.362YesYesYesYes30
495x42 E2 Shared30.844812.5835NoYesYesYes53
502x45 4x50 Shared29.534518.2787NoNoNoYes99
512x45 4x46 Shared27.573385.6156NoNoNoNo98
522x42 4x46 Shared17.637983.0636YesYesNoNo88
536x44 6x48 Shared32.948342.9155YesYesYesYes98
543x31 3x35 Shared13.275915.3842YesNoNoYes47
556x48 7x45 Shared18.784569.1874YesYesYesNo89
567x38 Lig Shared20.620719.7978NoYesYesYes50
571x35 7x39 adenosine_on3.8189713.9093YesYesNoYes55
587x36 7x39 adenosine_on011.197NoNoNoYes35
591x35 7x38 adenosine_on031.6798YesYesNoYes55
601x39 7x42 adenosine_on6.3491416.489YesYesYesYes67
616x51 7x38 adenosine_on014.1413NoYesNoYes65
626x51 7x41 adenosine_on016.1189NoYesNoNo67
636x48 7x41 adenosine_on1.2629316.4448YesYesNoNo87
647x45 7x49 adenosine_on068.4251YesNoYesYes99
651x46 7x46 adenosine_on5.4612114.3457NoNoNoNo89
663x36 Lig adenosine_on082.92NoNoYesYes60
673x36 6x48 adenosine_on1.2629383.3729NoNoYesYes68
682x46 7x49 adenosine_on2.7715550.6159NoYesYesYes99
692x46 3x42 adenosine_on1.38793100NoYesNoNo98
702x45 3x42 adenosine_on098.8621NoNoNoNo98
712x42 3x49 adenosine_on063.8292YesYesYesYes89
722x39 3x49 adenosine_on0.060344854.9412NoNoYesYes89
732x37 2x39 adenosine_on054.3004NoNoNoNo78
741x56 8x50 adenosine_on021.1954NoNoYesYes89
751x56 8x54 adenosine_on019.6763NoNoNoYes87
762x40 I1x50 adenosine_on2.2456917.3452NoYesYesYes88
772x42 4x42 adenosine_on019.9746YesYesNoNo87
782x41 4x42 adenosine_on018.2732NoNoNoNo47
793x43 7x49 adenosine_on022.8581NoNoYesYes89
803x26 E2 adenosine_on0.9956913.0476NoNoYesYes53
813x26 4x61 adenosine_on012.0588NoNoNoNo55
823x27 4x61 adenosine_on5.4612111.882NoNoNoNo45
833x27 3x31 adenosine_on6.8060311.6113NoNoYesNo44
842x56 3x35 adenosine_on024.6644NoNoNoYes67
852x551 3x35 adenosine_on013.9148NoNoNoYes57
862x55 2x551 adenosine_on1.37511.6224NoNoNoNo45
872x59 3x31 adenosine_on2.6034510.1364NoNoYesNo54
883x40 6x48 adenosine_on013.4232NoYesYesYes88
893x43 7x53 adenosine_on076.8215NoNoYesYes89
905x54 6x44 adenosine_on039.3471NoNoYesYes89
915x54 5x58 adenosine_on039.0046NoNoNoYes89
923x50 5x58 adenosine_on036.3255YesNoNoYes99
935x58 6x37 adenosine_on7.8577694.2551NoYesNoNo98
945x61 6x37 adenosine_on048.2351NoYesNoNo98
955x57 5x61 adenosine_on032.1659NoNoNoYes69
963x51 5x57 adenosine_on027.338NoNoNoNo76
973x51 3x55 adenosine_on1.4267220.0133NoNoNoNo77
983x55 3x56 adenosine_on017.5496NoNoNoNo76
993x56 I2x52 adenosine_on3.0043112.5891NoNoYesNo65
1002x41 4x39 adenosine_on011.0976NoNoNoNo43
1015x36 E2 adenosine_on1.2758610.5121NoNoYesYes53
1025x51 6x44 adenosine_on012.81NoNoYesYes69
1035x58 6x40 adenosine_on035.7178NoYesNoNo98
1045x62 6x37 adenosine_on048.5776NoNoNoNo68
1055x62 6x30 adenosine_on044.164NoNoYesYes66
1065x66 6x30 adenosine_on012.578NoYesYesYes56
1075x69 6x30 adenosine_on022.9354NoYesYesYes46
1085x69 5x73 adenosine_on011.3683NoYesNoNo40
1097x52 7x53 adenosine_on012.7437NoNoYesYes89
1106x43 7x52 adenosine_on010.5949NoNoNoNo68
1115x51 6x49 adenosine_on011.2468NoNoNoNo67
1127x34 Lig adenosine_on2.2025913.0586NoNoYesYes40
1136x54 7x34 adenosine_on1.0905211.882NoNoNoNo44
1146x54 E3 adenosine_on010.4182NoNoYesYes43
1157x55 8x54 adenosine_on013.042NoNoNoYes67
1161x46 7x47 adenosine_on4.1077611.9814NoNoNoNo86
1177x42 Lig adenosine_on022.5432YesYesYesYes70
1182x46 2x50 adenosine_on028.0506NoYesYesYes99
1192x46 3x43 adenosine_on054.9301NoYesNoNo98
1203x50 7x53 adenosine_on035.3588YesNoYesYes99
1216x40 7x53 adenosine_on0.63362135.5024NoNoYesYes89

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
1x322x64adenosine_off5.3113500022
1x351x39Shared15.344215.624122
1x352x64Shared7.361545.2954122
1x357x35Shared12.240216.764121
1x392x57Shared8.066156.253334122
1x397x42Shared11.647712.61754121
2x563x32Shared4.002314.113330021
2x577x42Shared7.495384.534121
E1x51E2Shared9.047311.289170021
3x213x23adenosine_off4.082501122
3x21E2Shared6.034.208331121
3x22E2Shared24.583123.67830121
3x23E2adenosine_off8.7701021
3x25E2Shared7.321154.271121
3x26E2Shared12.49589.259170121
3x29E2Shared3.423084.848330021
3x32Ligadenosine_off4.5009600010
3x335x39Shared5.074624.10251112
3x335x40Shared3.887314.123331111
3x366x48Shared7.551733.840830011
3x406x44Shared5.698463.76750422
4x605x39Shared14.872312.17081122
5x36E2Shared14.47197.611121
5x39E2Shared13.910810.191121
5x42E2Shared6.400585.3451121
E2E2Shared74.762551.22331111
E2E2x51Shared10.5867.32751112
E2E2x52Shared12.604210.88331111
5x40E2x52adenosine_off4.6171201111
E2x52LigShared38.218732.12171110
E2LigShared7.216545.771671110
5x365x38Shared5.257316.1651122
5x376x55Shared6.472125.375830021
5x376x58adenosine_off3.4736500022
5x395x40adenosine_off4.5567301121
5x395x42Shared8.450397.65251122
5x395x43adenosine_off6.1711501122
5x405x43Shared5.014624.1551112
5x406x55Shared4.099423.5051111
5x40LigShared4.238855.570831110
5x445x47Shared4.990584.723331422
5x446x52Shared24.324615.84331421
5x476x52Shared6.707127.664171421
6x446x48Shared15.690612.5251421
6x447x45adenosine_off7.4128901422
6x487x41Shared10.77444.81412
6x487x45Shared3.455197.250831412
6x48Ligadenosine_off4.5790401410
6x51LigShared16.62276.79750110
6x547x34Shared3.525582.216670621
6x55LigShared12.80586.87751110
6x61E3Shared10.964.991670021
7x317x35Shared6.528466.956670021
7x34LigShared4.350965.38250010
7x35Ligadenosine_off5.9057700110
7x387x42Shared4.667694.86250111
7x38LigShared9.5042311.21830110
3x335x43adenosine_off4.332501112
5x38E2adenosine_off5.3040401021
6x52Ligadenosine_off3.4215401410
6x58E3Shared7.412315.404170021
E3Ligadenosine_off3.6313501610
E2E3adenosine_off4.2380801111
6x517x37Shared2.727892.468330112
7x30E3Shared2.15253.685831621
2x607x42Shared2.140962.559170021
6x57E3Shared1.9251.698330621
4x63E2Shared1.5351.931670021
1x317x35adenosine_off1.0603800021
1x327x35adenosine_on04.448330021
1x357x38adenosine_on06.950834121
2x647x35adenosine_on03.386670121
3x33Ligadenosine_on03.656671110
3x36Ligadenosine_on010.73330010
3x406x48adenosine_on014.09420421
4x60E2adenosine_on03.885831121
6x517x38adenosine_on03.458330111
6x517x41adenosine_on05.170830112
6x54E3adenosine_on03.323330621
E3E3adenosine_on03.69751611
7x42Ligadenosine_on06.345834110
3x223x23adenosine_on03.43750122
3x405x47adenosine_on02.528330422
2x66E2adenosine_on01.908330021

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
a3_on
Network Difference
Value adenosine_off adenosine_on
Imin 3.17865 3.21167
Number of Linked Nodes 275 267
Number of Specific Nodes 9 (3.27%) 1  (0.37%)
Number of Shared Nodes 266 (96.73%) 266  (99.63%)
Number of Links 310 299
Number of Specific Links 137 (44.19%) 126  (42.14%)
Number of Shared Links 173 (55.81%) 173  (57.86%)
Number of Hubs 37 42
Number of Specific Hubs 11 (29.73%) 16  (38.10%)
Number of Shared Hubs 26 (70.27%) 26  (61.90%)
Average % Shared Neighbours (Jaccard) 43.59
Average % Shared Neighbours (Otsuka) 53.35
Average % Shared Neighbours (Overlap Coefficient) 62.94
Average % Shared Cliques (k3-6) 55.36
Graphlets Similarity 0.586886
Paths Difference
Value adenosine_off adenosine_on
Number Of Nodes in MetaPath 57 76
Specific Nodes in MetaPath 26 (45.61%) 45  (59.21%)
Shared Nodes in MetaPath 266 (96.73%) 266  (96.73%)
Number Of Links MetaPath 56 81
Specific Links in MetaPath 40 (71.43%) 65  (80.25%)
Shared Links in MetaPath 173 (55.81%) 173  (55.81%)
Number of Shortest Paths 46028 47721
Length Of Smallest Path 3 3
Average Path Length 13.9177 13.5216
Length of Longest Path 36 30
Minimum Path Strength 0.395 0.62
Average Path Strength 5.84784 5.41077
Maximum Path Strength 21.9883 21.67
Minimum Path Correlation 0.700192 0.701667
Average Path Correlation 0.917185 0.920407
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.125 4.16667
Average % Of Corr. Nodes 45.3629 44.2879
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 42.1282 42.7844
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).

Download adenosine_off_on.zip<



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