Orange: nodes, hubs and links specific of nucleotide_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of nucleotide_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 nucleotide_off Avg Int. Strength nucleotide_on Avg Int. Strength nucleotide_off Num Of Links nucleotide_on Num Of Links ConSurf
11x55 nucleotide_off00414
22x44 nucleotide_off00535
32x51 nucleotide_off00417
42x57 nucleotide_off47.115433.3333436
52x63 nucleotide_off016.6667413
63x37 nucleotide_off10029.1667536
73x50 nucleotide_off39.42310439
83x51 nucleotide_off500437
93x54 nucleotide_off00429
104x63 nucleotide_off500425
11E2x50 nucleotide_off00429
12E2x52 nucleotide_off00434
135x461 nucleotide_off2533.3333438
146x24 nucleotide_off00412
156x54 nucleotide_off00414
167x31 nucleotide_off500433
177x34 nucleotide_off033.3333434
187x35 nucleotide_off050423
197x38 nucleotide_off033.3333435
207x45 nucleotide_off12.50539
217x53 nucleotide_off87.579.1667439
22NT nucleotide_off5016.6667630
23I1 nucleotide_off500510
241x35 Shared12.545.8333445
251x39 Shared74.038570.8333656
261x60 Shared250446
272x42 Shared500558
282x50 Shared5050459
293x34 Shared00445
303x49 Shared20.19230449
31I2x53 Shared22.115450447
324x50 Shared016.6667459
33E2 Shared10010016183
345x39 Shared10041.6667546
355x58 Shared5058.3333689
366x48 Shared81.730850658
377x49 Shared12.537.5449
388x50 Shared37.529.1667479
39Lig Shared10010010120
40E1 Shared5033.3333440
411x32 nucleotide_on00144
421x43 nucleotide_on00245
431x50 nucleotide_on00349
441x57 nucleotide_on5016.6667348
452x40 nucleotide_on033.3333348
462x46 nucleotide_on020.8333249
473x35 nucleotide_on016.6667247
483x42 nucleotide_on5050348
493x56 nucleotide_on00246
504x42 nucleotide_on00247
515x40 nucleotide_on40.384629.1667145
525x51 nucleotide_on016.6667246
535x66 nucleotide_on00245
545x69 nucleotide_on00244
556x51 nucleotide_on016.6667146
566x59 nucleotide_on36.53858.33333344
57E3 nucleotide_on69.230845.8333373
588x54 nucleotide_on00347
   
Orange: nodes, hubs and links specific of nucleotide_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of nucleotide_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 nucleotide_off Recurrence nucleotide_on Recurrence nucleotide_off Hub1? nucleotide_on Hub1? nucleotide_off Hub2? nucleotide_on Hub2? ConSurf1 ConSurf2
11x39 2x57 nucleotide_off29.31177.60878YesYesYesNo66
21x35 7x35 nucleotide_off60.40123.37129YesYesYesNo53
37x31 7x35 nucleotide_off21.74392.12281YesNoYesNo33
47x31 Lig nucleotide_off21.95020YesNoYesYes30
55x39 5x42 nucleotide_off99.85522.35868YesYesNoNo65
65x42 5x461 nucleotide_off1000NoNoYesNo58
73x37 5x461 nucleotide_off99.70316.39284YesNoYesNo68
83x37 4x53 nucleotide_off95.84310YesNoNoNo68
93x38 4x53 nucleotide_off93.38091.35014NoNoNoNo78
103x38 4x50 nucleotide_off93.04052.69622NoNoYesYes79
112x45 4x50 nucleotide_off85.07080.0569337NoNoYesYes99
122x45 4x46 nucleotide_off88.39122.69622NoNoNoNo98
132x42 4x46 nucleotide_off87.95670YesYesNoNo88
143x46 6x37 nucleotide_off84.44440NoNoNoNo98
155x58 6x37 nucleotide_off83.99544.9939YesYesNoNo98
163x51 5x61 nucleotide_off72.39740YesNoNoNo79
173x54 5x61 nucleotide_off68.41081.40708YesNoNoNo99
183x54 6x30 nucleotide_off58.26480YesNoNoNo96
193x50 6x30 nucleotide_off56.29140YesNoNoNo96
202x39 3x50 nucleotide_off44.18290NoNoYesNo89
211x57 2x40 nucleotide_off23.25020NoYesNoYes88
221x57 2x44 nucleotide_off15.78746.01464NoYesYesNo85
237x35 7x38 nucleotide_off41.06890YesNoYesNo35
247x38 E2x52 nucleotide_off20.15430YesNoYesNo54
25E2 E2x52 nucleotide_off21.50120.235868YesYesYesNo34
263x36 3x37 nucleotide_off50.72960NoNoYesNo66
273x36 6x48 nucleotide_off49.81710NoNoYesYes68
282x40 I1x50 nucleotide_off15.02347.49085NoYesNoNo88
298x50 I1x50 nucleotide_off10.38490YesYesNoNo98
303x54 5x65 nucleotide_off12.9160YesNoNoNo98
315x65 6x31 nucleotide_off11.755.12403NoNoNoNo85
326x40 7x49 nucleotide_off11.01130NoNoYesYes89
331x42 2x57 nucleotide_off18.75290NoNoYesNo76
341x42 7x47 nucleotide_off10.75793.83896NoNoNoNo76
35Lig NT nucleotide_off11.04030YesYesYesNo00
361x35 1x39 Shared50.081527.5885YesYesYesYes56
37E2 Lig Shared66.415646.6775YesYesYesYes30
385x39 E2 Shared98.497314.2619YesYesYesYes63
392x42 3x46 Shared84.744962.2163YesYesNoNo89
403x47 5x58 Shared77.71345.5876NoNoYesYes99
413x47 5x57 Shared78.516944.6767NoNoNoNo96
423x51 5x57 Shared77.937542.4888YesNoNoNo76
432x37 2x39 Shared39.073840.3416NoNoNoNo78
442x37 2x40 Shared37.3939.2355NoNoNoYes78
457x38 Lig Shared21.334734.6401YesNoYesYes50
466x48 7x45 Shared38.04998.8288YesYesYesNo89
477x45 7x49 Shared34.533198.4465YesNoYesYes99
482x50 7x49 Shared18.546518.2676YesYesYesYes99
496x58 E3 nucleotide_on026.5555NoNoNoYes43
506x58 7x34 nucleotide_on0.11949215.2745NoNoYesNo44
511x35 7x38 nucleotide_on035.9536YesYesYesNo55
526x58 6x62 nucleotide_on012.802NoNoNoNo40
536x62 Lig nucleotide_on3.403713.599NoNoYesYes00
546x51 Lig nucleotide_on1.0355999.5039NoYesYesYes60
556x51 7x41 nucleotide_on0100NoYesNoNo67
566x48 7x41 nucleotide_on1.2492399.9878YesYesNoNo87
571x50 2x50 nucleotide_on7.4048612.6922NoYesYesYes99
587x34 Lig nucleotide_on6.3294414.1114YesNoYesYes40
593x43 7x49 nucleotide_on084.9614NoNoYesYes89
603x43 7x53 nucleotide_on097.3404NoNoYesNo89
613x46 7x53 nucleotide_on051.7771NoNoYesNo99
622x42 3x49 nucleotide_on047.3811YesYesYesYes89
632x39 3x49 nucleotide_on6.3475441.4274NoNoYesYes89
642x40 8x50 nucleotide_on031.0573NoYesYesYes89
652x46 3x42 nucleotide_on014.4449NoYesNoYes98
662x50 7x46 nucleotide_on9.5050110.2481YesYesNoNo99
673x26 E2 nucleotide_on0.92334410.2399NoNoYesYes53
684x59 5x39 nucleotide_on2.4948423.2452NoNoYesYes66
694x58 4x59 nucleotide_on1.2492320.0041NoNoNoNo46
703x34 4x58 nucleotide_on015.4575YesYesNoNo54
714x60 Lig nucleotide_on013.4933NoNoYesYes40
724x60 5x39 nucleotide_on3.5919912.8426NoNoYesYes46
733x50 7x53 nucleotide_on044.9248YesNoYesNo99
743x50 5x58 nucleotide_on055.5226YesNoYesYes99
753x51 3x55 nucleotide_on6.1882236.8768YesNoNoNo77
763x55 5x64 nucleotide_on030.9963NoNoNoNo75
772x42 4x42 nucleotide_on4.1532416.771YesYesNoYes87
785x40 Lig nucleotide_on010.7117NoYesYesYes50
795x64 5x67 nucleotide_on027.7715NoNoNoNo54
805x66 5x67 nucleotide_on026.5596NoYesNoNo54
815x66 6x30 nucleotide_on016.7629NoYesNoNo56
826x44 6x48 nucleotide_on2.2413710.6019NoNoYesYes98
837x30 E3 nucleotide_on010.8865NoNoNoYes43
845x69 6x30 nucleotide_on010.9679NoYesNoNo46
852x46 3x43 nucleotide_on012.863NoYesNoNo98
863x46 3x50 nucleotide_on011.3095NoNoYesNo99

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
1x357x35Shared6.120111.990022
E1x51E2nucleotide_off4.5236501021
3x223x26nucleotide_off7.2709601122
3x22E2Shared16.136515.73421121
3x23E2nucleotide_off4.38500021
3x25E2Shared6.465582.963331121
3x26E2Shared8.862884.919581121
3x29E2x52Shared10.00053.597080021
3x323x33nucleotide_off5.3989400021
3x334x60nucleotide_off4.5900011
3x366x48nucleotide_off4.9458700012
3x374x56nucleotide_off4.1057707012
3x375x461Shared8.28994.196677012
4x565x461Shared6.936835.406677022
4x605x39Shared9.856158.190420012
4x63E2Shared6.13252.07251121
5x36E2Shared15.3519.081121
5x39E2Shared6.955385.0951121
E2E2Shared65.861354.70331111
E2E2x51Shared13.14310.50541112
E2E2x52Shared6.302128.783331111
E2x52LigShared20.804318.65081110
E2LigShared12.84838.525831110
5x376x59nucleotide_off4.3709600022
5x395x43nucleotide_off5.5805801122
5x406x55Shared6.639714.824170111
6x487x41Shared5.387213.276676022
6x51LigShared8.311353.698750010
6x547x37Shared5.3152.039170022
6x55LigShared6.402885.133750110
6x58Lignucleotide_off8.0980801110
7x317x35Shared8.899236.866671012
7x347x38Shared6.899334.343331111
7x34LigShared4.375485.317921110
7x38LigShared6.652127.710831110
1x317x35nucleotide_off9.4901901022
7x31Lignucleotide_off6.2268301010
7x357x38nucleotide_off4.8844201021
E3NTShared10.9952.811670121
7x24NTShared5.0352.123330021
LigNTnucleotide_off13.08501101
7x28NTShared5.01540021
7x31NTnucleotide_off10.57501011
E1NTnucleotide_off4.50500121
1x317x31nucleotide_off5.07501021
1x32E1nucleotide_off8.800022
E1x49E2Shared6.463.448331021
3x363x37nucleotide_off7.03500011
3x376x52nucleotide_off3.8107012
4x635x36nucleotide_off8.4401122
7x38E2x52nucleotide_off4.76501111
5x336x62nucleotide_off7.2900021
6x587x34Shared8.7211.2151111
6x62LigShared12.1454.240010
3x374x53nucleotide_off3.3108707012
5x376x55Shared3.236062.687920021
3x21E2Shared3.0152.104170021
5x38E2nucleotide_off2.6520200021
3x294x64nucleotide_off2.63500022
6x547x34nucleotide_off2.3627900021
5x336x63nucleotide_off2.07500022
1x357x38nucleotide_on04.257080021
3x33Lignucleotide_on08.423330010
3x36Lignucleotide_on05.366670010
3x375x43nucleotide_on03.77257012
5x40Lignucleotide_on03.922080110
6x517x37nucleotide_on03.41250012
6x517x41nucleotide_on05.042080012
E3E3nucleotide_on03.803750122
1x327x31nucleotide_on03.308750021
3x37Lignucleotide_on03.460427010
4x64E2nucleotide_on05.9650021
5x365x40nucleotide_on03.41121
5x406x59nucleotide_on03.696670112
6x586x62nucleotide_on05.2651111
4x60Lignucleotide_on04.048330010
6x516x52nucleotide_on03.160830012
5x365x38nucleotide_on03.08251122
1x287x31nucleotide_on02.750021
6x58E3nucleotide_on02.702081112
5x33E2nucleotide_on02.363330021
E1E2nucleotide_on02.118330121
6x63E2nucleotide_on01.870021
3x223x23nucleotide_on01.718751122
5x30E2nucleotide_on00.240021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
nucleotide_off adenosine_off
p2y_off
nucleotide_on adenosine_on
p2y_on
Network Difference
Value nucleotide_off nucleotide_on
Imin 3.76933 3.24583
Number of Linked Nodes 292 297
Number of Specific Nodes 8 (2.74%) 13  (4.38%)
Number of Shared Nodes 284 (97.26%) 284  (95.62%)
Number of Links 315 313
Number of Specific Links 151 (47.94%) 149  (47.60%)
Number of Shared Links 164 (52.06%) 164  (52.40%)
Number of Hubs 40 35
Number of Specific Hubs 23 (57.50%) 18  (51.43%)
Number of Shared Hubs 17 (42.50%) 17  (48.57%)
Average % Shared Neighbours (Jaccard) 38.51
Average % Shared Neighbours (Otsuka) 47.25
Average % Shared Neighbours (Overlap Coefficient) 56.12
Average % Shared Cliques (k3-6) 79.55
Graphlets Similarity 0.471559
Paths Difference
Value nucleotide_off nucleotide_on
Number Of Nodes in MetaPath 47 49
Specific Nodes in MetaPath 25 (53.19%) 27  (55.10%)
Shared Nodes in MetaPath 284 (97.26%) 284  (97.26%)
Number Of Links MetaPath 48 51
Specific Links in MetaPath 35 (72.92%) 38  (74.51%)
Shared Links in MetaPath 164 (52.06%) 164  (52.06%)
Number of Shortest Paths 50535 48334
Length Of Smallest Path 3 3
Average Path Length 18.6618 14.2254
Length of Longest Path 42 32
Minimum Path Strength 0.426875 0.4225
Average Path Strength 5.51434 4.66426
Maximum Path Strength 16.6579 13.0077
Minimum Path Correlation 0.700673 0.704167
Average Path Correlation 0.914217 0.908486
Maximum Path Correlation 0.99 0.986667
Minimum % Of Corr. Nodes 2.63158 3.44828
Average % Of Corr. Nodes 36.6939 37.9251
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 46.2158 39.9531
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 nucleotide_off_on.zip<



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