Orange: nodes, hubs and links specific of a2a_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of a2a_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 a2a_off Avg Int. Strength a2a_on Avg Int. Strength a2a_off Num Of Links a2a_on Num Of Links ConSurf
11x30 a2a_off0.809750404
21x42 a2a_off2.3823.57333437
3E1x50 a2a_off4.8535.01437
43x31 a2a_off6.00253.97425
53x33 a2a_off4.4137.25424
63x41 a2a_off6.231755.69333435
73x49 a2a_off8.1732513.025429
83x50 a2a_off5.0485.66529
9I2x57 a2a_off5.92346.535527
10E2.W143 a2a_off8.199755.01415
11E2.Q157 a2a_off1.2110403
125x36 a2a_off6.2784.21424
135x44 a2a_off10.6848.30333435
145x45 a2a_off4.57456.55414
155x461 a2a_off4.00256.78667435
165x68 a2a_off1.843251.36416
176x24 a2a_off2.29320503
186x59 a2a_off7.7146.96433
196x60 a2a_off5.20962.79516
20E3.H264 a2a_off6.93052.74412
217x33 a2a_off4.322756.435424
227x56 a2a_off7.894755.21427
238x49 a2a_off6.34312.525426
248x54 a2a_off5.089514.61416
251x39 Shared8.87414.4925546
261x50 Shared7.025757.975449
271x60 Shared8.726756.1825446
28I1x50 Shared6.4327.952558
292x40 Shared7.0098.5725448
302x42 Shared5.4438.3075447
312x50 Shared7.2237.93667469
322x57 Shared5.17555.2425646
333x37 Shared6.85688.5475545
34I2x53 Shared7.11266.835547
35E2x52 Shared12.74815.434454
365x39 Shared8.109726.846756
375x40 Shared4.33564.38286576
386x44 Shared7.4926.586559
396x48 Shared8.654810.358558
406x52 Shared10.20957.22446
417x35 Shared7.326757.6375443
427x42 Shared6.3965.98429576
437x49 Shared5.1207510.9025449
447x53 Shared5.21265.65286579
458x50 Shared6.142837.755648
46Lig Shared9.7172711.259211120
471x35 a2a_on11.349314.445365
482x46 a2a_on4.02156.292259
492x63 a2a_on3.5992.925144
503x26 a2a_on4.5112.984356
513x35 a2a_on5.846334.1525347
523x38 a2a_on11.5473.635246
533x43 a2a_on4.39755.218258
545x42 a2a_on6.1934.8375344
555x43 a2a_on5.7219.0825345
565x58 a2a_on5.815.54714379
575x62 a2a_on2.8973.8425345
587x38 a2a_on8.47857.865244
597x41 a2a_on7.77954.0675247
607x45 a2a_on6.857339.005349
617x50 a2a_on5.8414.7025349
627x52 a2a_on3.943333.51348
638x53 a2a_on5.0855.636357
   
Orange: nodes, hubs and links specific of a2a_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of a2a_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 a2a_off Recurrence a2a_on Recurrence a2a_off Hub1? a2a_on Hub1? a2a_off Hub2? a2a_on Hub2? ConSurf1 ConSurf2
13x39 6x44 a2a_off1000NoNoYesYes99
22x46 3x39 a2a_off39.7840NoYesNoNo99
32x46 7x49 a2a_off39.67237.73437NoYesYesYes99
47x49 7x53 a2a_off77.6250YesYesYesYes99
57x53 8x50 a2a_off53.21090YesYesYesYes98
68x50 8x54 a2a_off13.23240YesYesYesNo86
72x43 7x53 a2a_off27.89940NoNoYesYes89
82x40 2x43 a2a_off27.14070YesYesNoNo88
92x37 2x40 a2a_off54.27964.08594NoNoYesYes78
102x37 2x39 a2a_off52.55422.04688NoNoNoNo78
112x39 3x49 a2a_off40.87770NoNoYesNo89
123x49 I2x57 a2a_off34.05540YesNoYesNo97
132x38 I2x57 a2a_off21.80310NoNoYesNo67
142x38 4x39 a2a_off18.21390NoNoNoNo61
152x41 4x39 a2a_off10.97380NoNoNoNo51
163x40 6x44 a2a_off45.13515.46094NoNoYesYes79
173x37 3x40 a2a_off42.54710YesYesNoNo57
183x38 4x50 a2a_off35.79232.40625NoYesNoNo69
192x45 4x50 a2a_off34.20950NoNoNoNo99
202x45 4x46 a2a_off32.61125.19531NoNoNoNo98
212x42 4x46 a2a_off31.80640YesYesNoNo78
222x42 3x46 a2a_off29.33970YesYesNoNo78
232x53 3x35 a2a_off28.18820NoNoNoYes67
243x31 3x35 a2a_off27.16380YesNoNoYes57
253x27 3x31 a2a_off25.2210NoNoYesNo45
263x27 4x61 a2a_off22.8399.34375NoNoNoNo45
272x65 2x66 a2a_off10.13819.34375NoNoNoNo54
286x52 Lig a2a_off17.51686.28125YesYesYesYes60
293x46 6x37 a2a_off28.51940NoNoNoNo88
305x57 5x61 a2a_off24.46040NoNoNoNo79
313x54 5x61 a2a_off20.17980NoNoNoNo89
325x47 6x52 a2a_off10.80052.25781NoNoYesYes76
336x40 7x49 a2a_off13.32490NoNoYesYes89
346x40 7x52 a2a_off15.61430NoNoNoYes88
356x39 7x56 a2a_off10.6836.71875NoNoYesNo67
363x54 5x68 a2a_off14.25680NoNoYesNo86
375x68 6x27 a2a_off11.88650YesNoNoNo64
385x69 6x27 a2a_off10.20350NoNoNoNo54
395x47 5x51 a2a_off10.04950NoNoNoNo76
401x39 7x42 Shared10.047610.2422YesYesYesYes66
416x48 Lig Shared47.3379100YesYesYesYes80
426x44 6x48 Shared68.628863.3438YesYesYesYes98
432x50 3x39 Shared60.689728.8437YesYesNoNo99
442x50 7x49 Shared52.132627.6484YesYesYesYes99
458x50 I1x50 Shared10.765819.3672YesYesYesYes88
462x40 8x50 Shared28.099711.3672YesYesYesYes88
473x37 4x53 Shared36.926432.375YesYesNoNo57
483x38 4x53 Shared36.577931.8125NoYesNoNo67
492x50 7x46 Shared30.681816.9141YesYesNoNo99
502x53 7x46 Shared29.69616.9844NoNoNoNo69
513x26 4x61 Shared22.515524.6172NoYesNoNo65
523x26 E2.V171 Shared14.778727.625NoYesNoNo64
533x25 E2.V171 Shared14.274224.6172NoNoNoNo94
543x25 E2x50 Shared13.665721.5938NoNoNoNo99
55E1x50 E2x50 Shared12.541218.5547YesNoNoNo79
562x65 E1x50 Shared10.771612.4297NoNoYesNo57
575x40 Lig Shared10.068774.0625YesYesYesYes60
585x58 6x37 Shared27.668339.6797NoYesNoNo98
593x47 5x58 Shared26.135612.5313NoNoNoYes99
603x47 5x57 Shared25.299910.0547NoNoNoNo97
616x39 7x52 Shared11.678512.7031NoNoNoYes68
627x41 7x42 Shared20.497615.9219NoYesYesYes76
636x48 7x41 Shared21.290918.3203YesYesNoYes87
642x57 7x42 Shared12.833821.7266YesYesYesYes66
651x35 7x35 a2a_on2.5128516.5234NoYesYesYes53
661x35 7x38 a2a_on020.8984NoYesNoYes54
671x35 7x39 a2a_on034.375NoYesNoNo55
681x35 7x42 a2a_on036.1016NoYesYesYes56
691x39 2x61 a2a_on9.9840212.3906YesYesNoNo66
701x38 7x39 a2a_on012.3672NoNoNoNo55
711x42 7x39 a2a_on018.4688YesNoNoNo75
722x53 2x57 a2a_on019.4297NoNoYesYes66
732x53 2x56 a2a_on1.3844816.7344NoNoNoNo66
742x56 3x35 a2a_on015.4453NoNoNoYes67
752x551 3x35 a2a_on021.375NoNoNoYes57
762x55 2x551 a2a_on012.3047NoNoNoNo55
772x50 7x50 a2a_on043.5547YesYesNoYes99
781x53 7x50 a2a_on2.1200439.3594NoNoNoYes99
791x53 8x50 a2a_on034.0781NoNoYesYes98
807x38 Lig a2a_on4.6059327.8281NoYesYesYes40
815x40 5x43 a2a_on032.0703YesYesNoYes65
825x43 5x461 a2a_on037.6719NoYesYesNo55
833x37 5x461 a2a_on6.9647435.8125YesYesYesNo55
843x37 3x41 a2a_on4.2824457.0312YesYesYesNo55
853x41 4x49 a2a_on0.949363.3828YesNoNoNo57
863x45 4x49 a2a_on060.6406NoNoNoNo77
873x45 4x45 a2a_on057.8828NoNoNoNo75
882x42 4x45 a2a_on0.92041755.0859YesYesNoNo75
897x42 Lig a2a_on039.0547YesYesYesYes60
902x42 3x49 a2a_on035.2188YesYesYesNo79
916x48 7x45 a2a_on0.79910746.7031YesYesNoYes89
927x45 7x49 a2a_on029.3047NoYesYesYes99
932x46 3x42 a2a_on010.3359NoYesNoNo97
942x46 2x50 a2a_on032.3125NoYesYesYes99
953x43 6x44 a2a_on7.2381723.625NoYesYesYes89
963x43 7x53 a2a_on032.5391NoYesYesYes89
973x43 7x45 a2a_on016.75NoYesNoYes89
98E2x52 Lig a2a_on4.4615211.6016YesYesYesYes40
995x39 5x40 a2a_on5.2798848.9766YesYesYesYes66
1004x60 5x39 a2a_on1.0301759.5078NoNoYesYes56
1013x30 4x60 a2a_on0.13093867.75NoNoNoNo55
1023x26 3x30 a2a_on064.9531NoYesNoNo65
1034x58 4x61 a2a_on0.22336512.4297NoNoNoNo35
1043x35 3x38 a2a_on016.7812NoYesNoYes76
1055x39 5x42 a2a_on3.895419.5156YesYesNoYes64
1064x56 5x42 a2a_on028.4844NoNoNoYes44
1073x40 6x48 a2a_on012.7891NoNoYesYes78
1083x40 5x50 a2a_on2.7304415.6953NoNoNoNo78
1094x52 4x56 a2a_on011.7109NoNoNoNo44
1105x54 6x44 a2a_on044.6484NoNoYesYes89
1115x49 5x50 a2a_on1.823513.1172NoNoNoNo58
1125x54 5x58 a2a_on044.4844NoNoNoYes89
1133x49 I2x53 a2a_on5.3665332.3281YesNoYesYes97
114I2x53 I2x57 a2a_on0.21373718.1797YesYesYesNo77
115I2x56 I2x57 a2a_on1.8369815.1875NoNoYesNo47
1163x52 I2x56 a2a_on012.1797NoNoNoNo54
1172x42 4x42 a2a_on015.1875YesYesNoNo77
1184x39 4x42 a2a_on012.1797NoNoNoNo17
1194x59 4x60 a2a_on0.0057766713.9453NoNoNoNo65
1204x59 5x42 a2a_on014.2344NoNoNoYes64
1216x55 Lig a2a_on5.9018316.3125NoNoYesYes50
1225x37 6x55 a2a_on5.1547220.9297NoNoNoNo45
1235x37 6x58 a2a_on010.3281NoNoNoNo44
1245x51 6x44 a2a_on012.0156NoNoYesYes69
1255x58 6x41 a2a_on014.9219NoYesNoNo98
1265x62 6x37 a2a_on035.3516NoYesNoNo58
1275x62 6x30 a2a_on026.5078NoYesNoNo57
1286x27 6x30 a2a_on019.6016NoNoNoNo47
1296x27 6x31 a2a_on017.1719NoNoNoNo45
1306x28 6x31 a2a_on014.7266NoNoNoNo45
1316x28 6x29 a2a_on012.2656NoNoNoNo46
1327x52 7x53 a2a_on032.3359NoYesYesYes89
1337x34 Lig a2a_on6.3196812.1484NoNoYesYes40
1347x34 E3.A265 a2a_on010.3828NoNoNoNo44
1357x51 7x52 a2a_on010.0938NoNoNoYes68
1362x49 3x38 a2a_on028.2266NoNoNoYes86
1372x49 3x39 a2a_on028.2188NoNoNoNo89
1382x46 7x53 a2a_on029.7812NoYesYesYes99
1395x58 7x53 a2a_on023.4531NoYesYesYes99
1403x37 4x56 a2a_on1.627117.4141YesYesNoNo54
1413x41 4x52 a2a_on2.840210.1953YesNoNoNo54

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
1x351x39Shared14.92738.161122
1x352x64Shared4.3263.821122
1x357x35Shared14.79513.91121
1x392x57a2a_off7.51501122
1x397x42Shared12.4336.151121
2x577x42Shared9.1477.951021
3x335x39Shared3.6353.521122
3x335x40a2a_off3.95801121
3x335x43Shared6.7310.981122
3x366x48a2a_off8.94600011
3x406x44Shared6.0285.020122
E2.V172E2x52Shared11.7999.181121
5x40E2x52Shared5.5974.981111
E2x52LigShared31.10354.671110
5x37E2.E169a2a_off5.41400021
E2.E169E3.H264a2a_off9.23401111
E2.E169LigShared6.5499.151110
5x40E2.V172Shared3.1923.041112
5x376x55Shared7.1494.210021
5x395x40Shared3.833.591121
5x395x43Shared6.8610.471122
5x40LigShared5.1013.911110
5x436x52a2a_off3.57301121
5x445x47Shared3.4065.241122
5x446x52Shared24.8913.581121
5x476x52Shared6.5056.921121
6x446x48Shared13.337.021121
6x447x45a2a_off8.33801122
6x487x41Shared11.9364.941111
6x487x45Shared3.72913.561112
6x48LigShared5.3338.651110
6x51LigShared15.55511.470110
6x52LigShared5.874.441110
6x547x34a2a_off3.35500021
6x55LigShared10.5075.690110
6x58E3.H264Shared9.9942.740021
7x34E3.H264a2a_off3.80801011
7x317x35Shared6.7999.380021
7x34LigShared4.673.911010
7x35Liga2a_off4.40601010
7x387x42Shared3.8473.980111
7x38LigShared13.118.870110
7x417x42Shared3.6234.180111
2x647x35a2a_off3.30701021
E3.H264Liga2a_off4.68601010
6x517x37Shared3.1513.150112
2x607x42Shared2.932.930021
3x29E2x52a2a_off2.49300021
6x54E3.A265Shared2.4331.620022
1x337x35a2a_on05.340021
1x357x38a2a_on014.511121
1x357x42a2a_on08.711121
1x397x38a2a_on04.11121
2x633x29a2a_on03.250122
3x36Liga2a_on012.210010
3x406x48a2a_on017.620121
E2.E169E2x52a2a_on05.831111
5x376x58a2a_on03.010022
5x405x43a2a_on07.011112
5x406x52a2a_on03.941111
5x406x55a2a_on04.211111
6x517x41a2a_on030111
7x34E3.A265a2a_on03.221012
7x41Liga2a_on04.150110
7x42Liga2a_on07.991110
2x63E2x52a2a_on02.510121
7x327x35a2a_on01.937021
6x547x37a2a_on01.620022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
a2a_off 8C9W-A2A-Etrumadenant
3UZA-A2A-GTPL9236
8GNG-A2A-Istradefylline
5UIG-A2A-J3.651.884G
8CU6-A2A-LJ-4517
7PX4-A2A-PSB-2113
7PYR-A2A-PSB-2115
8DU3-A2A-PubChem 105526064
8JWY-A2A-PubChem 168451710
5K2D-A2A-ZM241385
a2a_on 6GDG-A2A-NECA-Gs/&β;1/&γ;1
Network Difference
Value a2a_off a2a_on
Imin 3.152 2.95
Number of Linked Nodes 307 241
Number of Specific Nodes 67 (21.82%) 1  (0.41%)
Number of Shared Nodes 240 (78.18%) 240  (99.59%)
Number of Links 349 275
Number of Specific Links 188 (53.87%) 114  (41.45%)
Number of Shared Links 161 (46.13%) 161  (58.55%)
Number of Hubs 46 39
Number of Specific Hubs 24 (52.17%) 17  (43.59%)
Number of Shared Hubs 22 (47.83%) 22  (56.41%)
Average % Shared Neighbours (Jaccard) 36.20
Average % Shared Neighbours (Otsuka) 44.32
Average % Shared Neighbours (Overlap Coefficient) 52.37
Average % Shared Cliques (k3-6) 52.73
Graphlets Similarity 0.62202
Paths Difference
Value a2a_off a2a_on
Number Of Nodes in MetaPath 63 92
Specific Nodes in MetaPath 21 (33.33%) 50  (54.35%)
Shared Nodes in MetaPath 240 (78.18%) 240  (78.18%)
Number Of Links MetaPath 64 102
Specific Links in MetaPath 39 (60.94%) 77  (75.49%)
Shared Links in MetaPath 161 (46.13%) 161  (46.13%)
Number of Shortest Paths 81881 41107
Length Of Smallest Path 3 3
Average Path Length 16.999 11.6931
Length of Longest Path 50 31
Minimum Path Strength 0.386 1.365
Average Path Strength 5.8926 6.19394
Maximum Path Strength 20.621 31.925
Minimum Path Correlation 0.703 0.7
Average Path Correlation 0.917515 0.919409
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 2.27273 4
Average % Of Corr. Nodes 39.2425 50.3753
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 42.3514 48.4083
Maximum Path Hubs % 100 100

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

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