Orange: nodes, hubs and links specific of p2y_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of p2y_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 p2y_off Avg Int. Strength p2y_on Avg Int. Strength p2y_off Num Of Links p2y_on Num Of Links ConSurf
1NT p2y_off13.22220900
2I1 p2y_off10.56330600
32x39 p2y_off7.634.735427
42x43 p2y_off3.9664.66667528
52x44 p2y_off6.1985.31333535
62x50 p2y_off7.295.77444439
72x51 p2y_off4.7722.885527
82x57 p2y_off4.25253.725427
9E1 p2y_off9.2980500
10E1x52 p2y_off6.9663.50167527
113x30 p2y_off5.377.73833426
123x32 p2y_off5.83255.70444437
133x50 p2y_off6.56756.145429
143x52 p2y_off4.3082.08515
154x63 p2y_off9.232.19111534
16E2 p2y_off17.150801300
175x39 p2y_off7.52254.48222435
186x48 p2y_off9.72758.03889438
19E3 p2y_off9.910500
201x39 Shared7.291674.53667657
211x57 Shared6.15253.95278466
222x42 Shared7.654.375467
232x53 Shared8.15755.3575447
24E1x50 Shared8.195.1175748
253x37 Shared8.463.67167547
263x42 Shared11.236.19389467
273x51 Shared5.761675.78167647
285x36 Shared10.6453.67667474
295x58 Shared8.625.23267659
307x31 Shared13.57255.09667444
317x53 Shared4.9454.36533659
32Lig Shared16.4655.145376180
331x32 p2y_on12.522.76583243
341x35 p2y_on10.67335.1225346
351x50 p2y_on7.584.334259
361x60 p2y_on3.22.38583345
372x60 p2y_on7.354.61257
382x63 p2y_on9.763.68222365
392x64 p2y_on7.95.09733355
403x22 p2y_on10.0651.62253
413x29 p2y_on11.42673.91067355
423x43 p2y_on2.773.73083148
433x46 p2y_on4.6054.59333248
443x49 p2y_on10.68334.55348
454x50 p2y_on8.696675.6925349
464x64 p2y_on4.9553.84245
47E2x50 p2y_on10.935.12133359
48E2x51 p2y_on15.73.31952174
49E2x52 p2y_on11.23334.0575346
505x37 p2y_on4.776672.87583344
515x47 p2y_on10.869.1775348
525x51 p2y_on7.0354.46083246
535x68 p2y_on2.481.08154
546x31 p2y_on6.7052.81867256
556x49 p2y_on3.583.638255
566x51 p2y_on3.534.68583247
576x52 p2y_on14.40679.355348
586x55 p2y_on6.984.45056266
596x62 p2y_on15.11336.14867355
607x26 p2y_on5.0352.52241
617x28 p2y_on10.034.12083142
627x34 p2y_on11.39678.49667354
637x35 p2y_on12.84675.46067355
647x45 p2y_on9.225.63917249
657x54 p2y_on04.22046
668x50 p2y_on16.0653.24258
678x52 p2y_on9.4251.9475245
688x54 p2y_on02.73167040
69E2.D174 p2y_on02.2425040
70E2.P167 p2y_on01.78333050
   
Orange: nodes, hubs and links specific of p2y_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of p2y_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 p2y_off Recurrence p2y_on Recurrence p2y_off Hub1? p2y_on Hub1? p2y_off Hub2? p2y_on Hub2? ConSurf1 ConSurf2
12x63 2x64 p2y_off14.09047.8366NoYesNoYes55
22x63 E1 p2y_off13.14030NoYesYesNo50
3E1 NT p2y_off11.3050YesNoYesNo00
42x60 3x28 p2y_off19.54840NoYesNoNo74
53x28 E1x50 p2y_off17.89630NoNoYesYes48
6E1x50 E2 p2y_off13.3630YesYesYesNo80
7Lig NT p2y_off10.00820YesYesYesNo00
81x57 2x44 p2y_off20.05027.9049YesYesYesNo65
91x57 7x53 p2y_off25.20090YesYesYesYes69
107x49 7x53 p2y_off87.41790NoNoYesYes99
112x50 7x49 p2y_off1000YesNoNoNo99
122x50 3x35 p2y_off51.58020YesNoNoNo98
132x53 3x35 p2y_off51.78887.92329YesYesNoNo78
143x32 3x33 p2y_off60.96250YesNoNoNo75
153x33 E2x52 p2y_off28.72490NoNoNoYes56
167x38 E2x52 p2y_off26.13120NoNoNoYes56
177x34 7x38 p2y_off15.92850.0866938NoYesNoNo45
187x34 Lig p2y_off11.25144.99672NoYesYesYes40
192x50 7x46 p2y_off51.24750YesNoNoNo99
202x53 7x46 p2y_off51.35181.14541YesYesNoNo79
212x53 7x42 p2y_off44.05010YesYesNoNo77
221x58 2x44 p2y_off11.13592.13319NoNoYesNo35
232x39 2x43 p2y_off43.43830YesNoYesNo78
242x39 3x49 p2y_off21.68533.51241YesNoNoYes78
252x39 3x50 p2y_off23.69260YesNoYesNo79
262x41 4x42 p2y_off11.83780NoNoNoNo68
272x43 3x46 p2y_off17.36910YesNoNoYes88
282x41 4x46 p2y_off10.67910NoNoNoNo67
294x60 5x39 p2y_off31.51592.51412NoNoYesNo45
304x63 5x39 p2y_off19.50040YesNoYesNo45
314x63 E2 p2y_off14.95020YesNoYesNo40
323x37 5x43 p2y_off23.25563.29436YesYesNoNo75
335x39 5x43 p2y_off24.2482.53776YesNoNoNo55
343x40 6x48 p2y_off14.02845.68501NoNoYesNo78
356x48 7x45 p2y_off20.81144.46604YesNoNoYes89
367x45 7x49 p2y_off21.92211.73125NoYesNoNo99
373x40 5x50 p2y_off12.87814.55799NoNoNoNo79
383x49 I2x57 p2y_off19.44971.23736NoYesNoNo88
393x50 6x30 p2y_off17.18870YesNoNoNo94
403x51 3x52 p2y_off13.65060YesYesYesNo75
413x52 I2x57 p2y_off18.27410YesNoNoNo58
423x54 6x30 p2y_off16.10050NoNoNoNo84
435x37 6x60 p2y_off10.45080NoYesNoNo44
446x60 E3 p2y_off15.39850NoNoYesNo40
45E3 NT p2y_off21.1750YesNoYesNo00
463x54 5x65 p2y_off12.740NoNoNoNo88
471x39 2x60 p2y_off19.95150YesYesNoYes77
483x33 4x60 p2y_off32.31650NoNoNoNo54
491x35 2x64 Shared15.029231.9637NoYesNoYes65
501x35 1x39 Shared16.044133.2878NoYesYesYes67
511x39 2x57 Shared10.653816.8528YesYesYesNo77
521x39 7x42 Shared43.466510.6896YesYesNoNo77
532x53 3x32 Shared62.35811.2413YesYesYesNo77
542x43 7x53 Shared65.14927.7079YesNoYesYes89
552x42 4x42 Shared12.990915.5629YesYesNoNo78
562x42 3x46 Shared16.410627.9049YesYesNoYes78
573x37 6x52 Shared10.907574.2572YesYesNoYes78
586x62 Lig p2y_on2.9770818.3922NoYesYesYes50
597x34 7x35 p2y_on014.6329NoYesNoYes45
602x64 Lig p2y_on034.7747NoYesYesYes50
611x43 2x57 p2y_on2.1736115.8387NoNoYesNo67
621x43 1x47 p2y_on013.7948NoNoNoNo65
631x47 2x54 p2y_on012.765NoNoNoNo55
641x50 2x54 p2y_on011.7299NoYesNoNo95
651x57 2x43 p2y_on027.1089YesYesYesNo68
666x41 7x53 p2y_on060.6804NoNoYesYes79
675x58 6x41 p2y_on1.203866.037YesYesNoNo97
685x58 6x42 p2y_on1.203896.9473YesYesNoNo97
695x55 6x42 p2y_on097.1969NoNoNoNo47
705x51 5x55 p2y_on1.2094497.436NoYesNoNo64
715x47 5x51 p2y_on096.5743NoYesNoYes86
725x47 6x52 p2y_on8.77055100NoYesNoYes88
733x37 Lig p2y_on070.997YesYesYesYes70
743x46 7x53 p2y_on032.6547NoYesYesYes89
752x46 3x42 p2y_on016.125NoNoYesYes97
762x46 3x43 p2y_on1.2094417.7171NoNoNoYes98
773x43 6x45 p2y_on011.6511NoYesNoNo89
785x54 6x45 p2y_on019.5587NoNoNoNo89
795x54 5x58 p2y_on5.8442119.0831NoNoYesYes89
803x43 7x53 p2y_on013.3403NoYesYesYes89
813x42 4x50 p2y_on2.393510.4742YesYesNoYes79
822x60 3x32 p2y_on018.4763NoYesYesNo77
832x60 Lig p2y_on014.1626NoYesYesYes70
844x64 E2.Y187 p2y_on017.1312NoYesNoNo50
856x62 E2.Y187 p2y_on018.387NoYesNoNo50
866x45 6x48 p2y_on3.6170411.0548NoNoYesNo98
873x47 5x58 p2y_on0.011276815.6023NoNoYesYes99
883x51 5x57 p2y_on1.3109312.8622YesYesNoNo76
893x47 5x57 p2y_on015.794NoNoNoNo96
905x36 Lig p2y_on011.7326YesYesYesYes40
916x55 Lig p2y_on010.6765NoYesYesYes60
926x55 6x59 p2y_on011.969NoYesNoNo64
935x44 6x55 p2y_on010.4006NoNoNoYes56
945x58 6x38 p2y_on1.2094415.6364YesYesNoNo97
955x62 6x38 p2y_on014.625NoNoNoNo57
965x62 6x35 p2y_on011.5198NoNoNoNo56
976x51 6x55 p2y_on018.5183NoYesNoYes76
986x51 7x37 p2y_on016.64NoYesNoNo77
996x54 7x37 p2y_on3.3294815.5602NoNoNoNo57
1007x26 7x29 p2y_on012.2895NoYesNoNo12
1017x29 7x33 p2y_on013.385NoNoNoNo24
1026x54 7x33 p2y_on1.1135914.4752NoNoNoNo54
1036x41 7x56 p2y_on010.3954NoNoNoNo76
1041x34 7x36 p2y_on010.4611NoNoNoNo55
1051x31 7x36 p2y_on013.9341NoNoNoNo45
1061x31 7x35 p2y_on0.65123618.253NoNoNoYes45
1075x37 6x59 p2y_on011.0548NoYesNoNo44
1086x55 7x34 p2y_on010.7343NoYesNoYes64
1095x44 6x52 p2y_on1.1135910.0617NoNoNoYes58
1106x51 6x52 p2y_on017.1286NoYesNoYes78

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
NTNTp2y_off6.5701011
E3NTp2y_off21.9901021
7x24NTp2y_off10.0700021
LigNTp2y_off26.1701101
7x28NTp2y_off10.0300021
7x31NTp2y_off21.1501011
1x32NTp2y_off7.4401021
E1NTp2y_off9.0101021
1x317x31p2y_off10.1501021
1x317x35Shared17.924.141022
1x32E1p2y_off17.601022
1x351x39Shared14.077.060022
1x352x64Shared8.214.153330021
1x362x64p2y_off5.5600021
1x392x60p2y_off9.3800021
2x603x28p2y_off5.3200112
2x632x64Shared9.936.606670121
2x63E1p2y_off8.7400122
2x63E1x50Shared10.614.503330122
E1E2p2y_off5.1701021
E1x49E2p2y_off12.9201021
3x25E1x50Shared5.223.921122
3x28E1x50p2y_off5.4800022
E1x50E2p2y_off4.8101121
E1x50E2x50Shared14.378.706671122
3x223x26Shared12.442.653331022
3x22E2p2y_off7.6901021
3x25E2p2y_off5.6101121
3x25E2x50Shared7.287.281122
3x26E2p2y_off5.2301021
3x294x64p2y_off5.2700112
3x29E2x50Shared11.143.250112
3x29E2x52Shared17.874.366670111
3x323x33p2y_off9.0506021
3x334x60p2y_off7.9500111
3x33E2x52p2y_off6.300111
3x363x37p2y_off14.0700021
3x374x57p2y_off4.8400012
3x375x43Shared4.993.583330012
3x375x461Shared10.782.393330012
3x376x52Shared7.623.266670012
4x604x64p2y_off4.6400012
4x605x39Shared4.844.210012
4x63E2p2y_off10.7301021
4x635x36Shared16.882.981021
4x635x39p2y_off4.9601022
E2E2p2y_off56.9601011
E2E2x51p2y_off15.701011
E2Ligp2y_off18.4801010
7x38E2x52p2y_off9.5300111
5x36E2p2y_off16.2301111
6x62E2p2y_off6.4701111
5x336x62p2y_off14.5800021
5x366x55p2y_off4.7801111
5x366x59p2y_off4.6901112
5x395x43Shared4.993.483330022
5x406x55Shared9.186.143330121
5x446x52Shared9.585.90022
6x587x30p2y_off4.4301112
6x587x34Shared17.4422.431111
6x58LigShared13.734.346671110
6x60E3p2y_off5.3401022
6x62LigShared24.298.481110
E3E3p2y_off5.2501022
7x317x35Shared11.276.776671012
7x31LigShared11.723.641010
7x347x38Shared12.357.841111
7x34LigShared4.45.253331110
7x357x38Shared9.355.821121
3x326x51p2y_off4.2906022
1x322x64p2y_on04.686671021
1x327x31p2y_on04.471021
1x357x35p2y_on07.220022
2x602x64p2y_on05.566670111
2x603x29p2y_on03.240111
2x603x32p2y_on05.336670112
2x63E2x50p2y_on03.583330122
2x64Ligp2y_on04.473330110
3x264x64p2y_on03.931022
3x293x33p2y_on03.136670111
3x29Ligp2y_on05.560110
E2.K196E2.R195p2y_on05.776670021
E2.R195E2x51p2y_on03.086670111
E2.R195Ligp2y_on03.773330110
E2.T201E2x51p2y_on06.656670021
E2x51Ligp2y_on04.333330110
E2.T205E2x52p2y_on03.373330111
E2x52Ligp2y_on05.180110
5x36E2.T205p2y_on03.746671111
E2.T205Ligp2y_on03.356670110
5x36E2.T206p2y_on03.746671112
5x365x40p2y_on06.81112
5x406x59p2y_on07.393330122
5x446x55p2y_on03.946670021
6x516x52p2y_on05.636022
6x556x59p2y_on05.766670112
6x557x34p2y_on03.613330111
6x586x62p2y_on010.531111
6x62E3.Q291p2y_on03.503331112
7x347x35p2y_on03.346671112
7x38Ligp2y_on04.203330110
2x60E2x51p2y_on03.920111
2x60Ligp2y_on04.986670110
3x33Ligp2y_on013.190110
3x37Ligp2y_on05.443330010
4x60Ligp2y_on08.096670010
4x64E2.Y187p2y_on08.573330022
6x62E2.Y187p2y_on04.381112
6x516x55p2y_on03.843336021
6x55Ligp2y_on03.390110
1x287x31p2y_on05.50021
E2.K174E2x52p2y_on03.310021
6x62E2x51p2y_on03.851111
5x36Ligp2y_on03.993331110
E1x49E2.K179p2y_on03.056671022
5x36E2.K179p2y_on03.056671112
1x287x28p2y_on02.713330022
5x33E2.K179p2y_on02.350022
1x351x36p2y_on02.056670022
5x366x60p2y_on01.413331112
E2.G193E2x51p2y_on00.9666670021
LigNT.T45p2y_on00.9166671101
E2.S207E2x51p2y_on00.4233330021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
p2y_off p2y1_off
p2y_on p2y1_on
p2y10_on
p2y12_on
Network Difference
Value p2y_off p2y_on
Imin 4.36 3.08
Number of Linked Nodes 245 357
Number of Specific Nodes 6 (2.45%) 118  (33.05%)
Number of Shared Nodes 239 (97.55%) 239  (66.95%)
Number of Links 275 393
Number of Specific Links 154 (56.00%) 272  (69.21%)
Number of Shared Links 121 (44.00%) 121  (30.79%)
Number of Hubs 32 51
Number of Specific Hubs 19 (59.38%) 38  (74.51%)
Number of Shared Hubs 13 (40.63%) 13  (25.49%)
Average % Shared Neighbours (Jaccard) 20.85
Average % Shared Neighbours (Otsuka) 27.38
Average % Shared Neighbours (Overlap Coefficient) 34.03
Average % Shared Cliques (k3-6) 52.98
Graphlets Similarity 0.525638
Paths Difference
Value p2y_off p2y_on
Number Of Nodes in MetaPath 55 60
Specific Nodes in MetaPath 34 (61.82%) 39  (65.00%)
Shared Nodes in MetaPath 239 (97.55%) 239  (97.55%)
Number Of Links MetaPath 57 62
Specific Links in MetaPath 48 (84.21%) 53  (85.48%)
Shared Links in MetaPath 121 (44.00%) 121  (44.00%)
Number of Shortest Paths 53867 69700
Length Of Smallest Path 3 3
Average Path Length 14.4721 13.9215
Length of Longest Path 30 29
Minimum Path Strength 1.555 0.515
Average Path Strength 7.44063 4.87098
Maximum Path Strength 25.23 16.48
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.919807 0.909732
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.7619 4.34783
Average % Of Corr. Nodes 47.0597 36.6167
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 43.4241 49.2486
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 p2y_off_on.zip<



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