Orange: nodes, hubs and links specific of s1p_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of s1p_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 s1p_off Avg Int. Strength s1p_on Avg Int. Strength s1p_off Num Of Links s1p_on Num Of Links ConSurf
11x60 s1p_off500616
2I1x50 s1p_off1000538
32x39 s1p_off10011.1111438
42x47 s1p_off500429
52x60 s1p_off10011.1111535
62x61 s1p_off00435
73x37 s1p_off00416
84x59 s1p_off00425
95x47 s1p_off1000437
106x34 s1p_off500428
116x44 s1p_off10014.2857539
126x55 s1p_off00436
137x49 s1p_off5033.3333429
148x47 s1p_off500418
15Lig Shared10010012160
16NT Shared1001001696
171x50 Shared5055.5556449
182x40 Shared10039.6825459
192x42 Shared033.3333558
202x57 Shared10055.5556766
213x25 Shared10095.2381559
223x28 Shared10090.4762866
233x29 Shared10041.2698545
244x50 Shared022.2222549
25E2 Shared10010021184
265x39 Shared100100567
275x62 Shared5022.2222546
286x48 Shared10066.6667678
29E3 Shared10088.8889572
307x53 Shared10055.5556449
311x39 s1p_on00246
321x57 s1p_on00247
332x38 s1p_on00347
343x32 s1p_on00246
353x33 s1p_on04.7619345
363x44 s1p_on00147
373x49 s1p_on042.8571349
383x51 s1p_on014.2857348
394x41 s1p_on00145
405x58 s1p_on5055.5556359
416x28 s1p_on00045
426x52 s1p_on5055.5556346
437x31 s1p_on5047.619243
447x45 s1p_on047.619349
456x26 s1p_on022.2222244
   
Orange: nodes, hubs and links specific of s1p_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of s1p_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 s1p_off Recurrence s1p_on Recurrence s1p_off Hub1? s1p_on Hub1? s1p_off Hub2? s1p_on Hub2? ConSurf1 ConSurf2
12x57 Lig s1p_off19.73690YesYesYesYes60
22x50 7x49 s1p_off14.31850NoNoYesNo99
32x46 7x49 s1p_off94.31780NoNoYesNo99
43x38 4x53 s1p_off98.06629.74223NoNoNoNo78
53x37 4x53 s1p_off98.36130YesNoNoNo68
63x37 5x47 s1p_off1000YesNoYesNo67
73x36 5x47 s1p_off46.05070NoNoYesNo67
83x36 6x48 s1p_off45.93462.76272NoNoYesYes68
97x49 7x53 s1p_off84.43840YesNoYesYes99
106x48 6x52 s1p_off46.56240YesYesNoYes86
111x56 1x60 s1p_off10.7020NoNoYesNo86
121x60 I1x50 s1p_off18.55651.06191YesNoYesNo68
138x50 I1x50 s1p_off54.2820NoNoYesNo88
147x53 8x50 s1p_off82.06190YesYesNoNo98
152x40 I1x50 s1p_off39.09713.18572YesYesYesNo98
162x37 2x38 s1p_off18.89870NoNoNoYes77
172x38 4x42 s1p_off10.03338.79489NoYesNoNo77
182x39 2x40 s1p_off21.66760YesNoYesYes89
192x39 6x33 s1p_off19.71180YesNoNoNo88
206x33 8x47 s1p_off20.28320NoNoYesNo88
218x47 8x50 s1p_off29.42171.269YesNoNoNo88
222x39 3x50 s1p_off36.92160YesNoNoNo89
233x50 6x34 s1p_off33.68490NoNoYesNo98
245x61 6x34 s1p_off13.08470NoNoYesNo98
255x62 6x34 s1p_off17.54252.8156YesYesYesNo68
262x57 2x61 Shared10.369210.9011YesYesYesNo65
272x46 3x42 Shared94.68220.3525NoNoNoNo98
282x45 3x42 Shared95.039919.0571NoNoNoNo98
292x45 4x50 Shared95.824715.1179NoNoYesYes99
303x38 4x50 Shared97.764811.0641NoNoYesYes79
316x48 Lig Shared91.313583.1152YesYesYesYes80
325x47 6x52 Shared46.794812.0864YesNoNoYes76
332x37 2x40 Shared20.672431.4959NoNoYesYes79
34Lig NT Shared19.338215.5849YesYesYesYes06
35E2 Lig Shared37.822625.4285YesYesYesYes40
361x39 2x57 s1p_on023.503NoYesYesYes66
372x57 3x32 s1p_on0.056507839.9692YesYesNoYes66
383x32 Lig s1p_on1.2431741.3792NoYesYesYes60
392x57 7x38 s1p_on038.8279YesYesNoNo65
407x38 Lig s1p_on2.4078639.7048NoNoYesYes50
411x50 7x50 s1p_on3.0796817.3386YesYesNoNo99
421x50 2x50 s1p_on7.0038334.1176YesYesNoNo99
432x50 7x46 s1p_on6.4261938.2243NoNoNoNo99
447x42 7x46 s1p_on040.2644NoNoNoNo79
452x57 7x42 s1p_on0.056507842.2957YesYesNoNo67
461x57 2x40 s1p_on0.11301610.0022NoYesYesYes79
472x37 2x39 s1p_on032.6548NoNoYesNo78
482x39 3x49 s1p_on039.2465YesNoNoYes89
492x42 3x49 s1p_on5.9961153.4435YesYesNoYes89
502x42 3x46 s1p_on3.8770667.7462YesYesNoNo88
513x46 7x53 s1p_on062.1414NoNoYesYes89
523x43 7x53 s1p_on091.2844NoNoYesYes99
533x43 7x49 s1p_on099.5946NoNoYesNo99
547x45 7x49 s1p_on0100NoYesYesNo99
556x48 7x45 s1p_on6.2441199.5902YesYesNoYes89
562x42 4x42 s1p_on6.0777313.2893YesYesNoNo87
572x40 8x50 s1p_on013.677YesYesNoNo98
582x46 3x43 s1p_on021.6391NoNoNoNo99
593x40 5x50 s1p_on0.82878130.8482NoNoNoNo78
603x40 Lig s1p_on018.0392NoNoYesYes70
613x44 5x50 s1p_on024.349NoYesNoNo78
623x50 7x53 s1p_on025.3712NoNoYesYes99
633x50 5x58 s1p_on030.7425NoNoNoYes99
643x51 5x57 s1p_on017.6294NoYesNoNo87
653x48 5x57 s1p_on018.991NoNoNoNo67
663x44 3x48 s1p_on020.3437NoYesNoNo76
673x51 5x60 s1p_on5.8171712.0775NoYesNoNo85
684x56 5x39 s1p_on010.4516NoNoYesYes57
695x58 6x37 s1p_on024.1022NoYesNoNo98
705x62 6x33 s1p_on021.15YesYesNoNo68
716x33 6x37 s1p_on023.1196NoNoNoNo88
725x62 5x66 s1p_on1.9432415.9991YesYesNoNo65
737x33 7x36 s1p_on5.1830213.1571NoNoNoNo43
747x35 7x36 s1p_on015.3117NoNoNoNo33
751x39 7x35 s1p_on017.1712NoYesNoNo63
767x54 8x50 s1p_on011.443NoNoNoNo78
775x66 6x30 s1p_on013.3333NoNoNoNo57
786x28 6x30 s1p_on012.0115NoYesNoNo57
797x54 7x55 s1p_on2.1881110.249NoNoNoNo76
801x35 7x33 s1p_on011.518NoNoNoNo54
813x40 6x48 s1p_on014.078NoNoYesYes78

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
LigNTShared12.726.778891101
2x57Ligs1p_off6.3401010
2x60LigShared10.3859.003811110
3x28Ligs1p_off3.9401110
3x29LigShared14.2857.779051110
3x32LigShared11.4453.510481110
3x33LigShared7.88511.76031110
6x48LigShared3.433.013021110
7x35Ligs1p_off6.13501010
7x38LigShared18.946.566191010
7x42Ligs1p_off4.11501010
NTNTShared59.83530.64871111
E2NTShared83.2969.37891111
3x21NTs1p_off6.12501021
3x22NTShared9.4956.50461121
E1x50NTs1p_off5.75501021
E1x501NTShared19.44515.70220121
3x25NTShared11.724.055711121
E3NTShared12.1156.430321121
2x572x60s1p_off4.6501011
2x572x61Shared5.2757.402061012
2x573x32Shared4.894.332381011
2x577x42Shared13.0554.986511011
2x602x64s1p_off5.21501111
2x603x28Shared6.636.851431111
2x603x29s1p_off7.8901111
2x63E1x52s1p_off4.1501022
2x633x28Shared3.647.016191021
2x643x28Shared6.5852.929051011
3x28E1x50Shared9.74.413971112
3x28E1x52s1p_off5.46501112
3x213x22Shared3.533.956191022
3x253x26Shared6.5154.025561122
3x253x28Shared97.619051121
3x253x29Shared7.6310.76571121
3x25E2Shared28.3117.79671121
3x26E2Shared24.8315.90271121
3x283x29Shared12.793.120791111
3x29E2Shared6.0212.78221111
3x33E2Shared14.9053.573171111
3x335x39Shared5.6757.760161112
3x365x47s1p_off7.3100111
3x366x48Shared16.515.096510111
3x373x41s1p_off4.11500012
3x374x53s1p_off6.4600012
3x374x56s1p_off5.18500012
3x375x47s1p_off5.88500011
3x405x47s1p_off6.5500111
3x405x50Shared3.7952.834130112
3x406x44s1p_off3.27500112
4x59E2Shared4.564.120951121
4x595x39Shared4.15.040951122
4x60E2Shared11.8258.929841121
4x605x39Shared12.5214.10861122
5x36E2Shared9.9956.606031121
5x39E2Shared20.4259.915561121
5x42E2s1p_off6.01501021
E2E2Shared51.0242.02031111
5x40E2s1p_off8.4901021
6x58E2Shared21.88512.66921121
7x31E2Shared8.1056.693331121
7x32E2s1p_off3.3300021
6x55E2s1p_off3.6701111
5x365x38Shared5.976.304291122
5x395x43Shared9.414.352221121
5x406x55Shared5.8352.621111021
5x476x52Shared6.96514.51190112
6x446x48Shared13.536.905711121
6x447x45Shared7.255.446511122
6x486x52s1p_off10.52501112
6x487x41Shared9.0751.852381112
6x487x45Shared6.21512.64521112
6x516x55Shared3.465.143020111
6x517x38s1p_off3.4600111
6x587x31Shared9.56.935711122
E3E3Shared13.873.844291122
7x337x35s1p_off5.23500021
7x337x36Shared3.65.30190022
7x357x38s1p_off5.3301011
E2LigShared3.313.738251110
E1x51NTs1p_off3.79501021
E1x48NTs1p_off5.56500021
5x446x55s1p_off2.96500021
E1x47NTs1p_off2.89500021
1x392x61s1p_off2.85500022
2x532x57s1p_off2.6700021
7x34E2Shared2.5451.648890021
2x542x57s1p_off2.17500021
4x63E2Shared1.71.37460021
3x23NTs1p_off1.69500021
1x432x61s1p_off1.61500022
1x36NTs1p_off1.57500021
1x33NTs1p_off1.54501021
3x30E2s1p_off1.4501021
2x64Ligs1p_on04.223971010
3x36Ligs1p_on08.788730110
3x37Ligs1p_on06.001430010
5x47Ligs1p_on04.975240110
6x51Ligs1p_on04.992060110
6x55Ligs1p_on04.044921110
1x392x57s1p_on04.274440021
1x432x57s1p_on03.049680021
2x577x38s1p_on07.851751011
2x603x32s1p_on03.628251111
E1x50E1x501s1p_on03.59811022
3x406x48s1p_on03.775710111
3x415x50s1p_on04.076350022
5x38E2s1p_on06.850320121
5x37E2s1p_on04.620160021
5x446x52s1p_on03.940790022
5x476x48s1p_on06.489210111
7x31E3s1p_on04.386981122
3x40Ligs1p_on03.710160110
7x357x36s1p_on03.915871012
5x43Ligs1p_on05.141590010
7x427x46s1p_on02.864291012
4x565x39s1p_on02.491750022
1x362x61s1p_on02.450160022
3x213x23s1p_on02.276671022
7x32NTs1p_on02.056190021
1x397x35s1p_on01.986350021
2x532x54s1p_on01.857140022
4x565x42s1p_on01.703650022
2x563x32s1p_on01.462220021
2x533x36s1p_on01.429520021
E1x47E1x48s1p_on01.353330022
3x303x33s1p_on01.126511021
2x64E1x47s1p_on01.119841012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
s1p_off s1p1_off
s1p5_off
s1p_on s1p1_on
s1p3_on
s1p5_on
Network Difference
Value s1p_off s1p_on
Imin 3.255 2.89603
Number of Linked Nodes 232 257
Number of Specific Nodes 2 (0.86%) 27  (10.51%)
Number of Shared Nodes 230 (99.14%) 230  (89.49%)
Number of Links 266 287
Number of Specific Links 125 (46.99%) 146  (50.87%)
Number of Shared Links 141 (53.01%) 141  (49.13%)
Number of Hubs 30 31
Number of Specific Hubs 14 (46.67%) 15  (48.39%)
Number of Shared Hubs 16 (53.33%) 16  (51.61%)
Average % Shared Neighbours (Jaccard) 34.22
Average % Shared Neighbours (Otsuka) 42.79
Average % Shared Neighbours (Overlap Coefficient) 50.48
Average % Shared Cliques (k3-6) 58.82
Graphlets Similarity 0.59283
Paths Difference
Value s1p_off s1p_on
Number Of Nodes in MetaPath 34 57
Specific Nodes in MetaPath 10 (29.41%) 33  (57.89%)
Shared Nodes in MetaPath 230 (99.14%) 230  (99.14%)
Number Of Links MetaPath 35 56
Specific Links in MetaPath 25 (71.43%) 46  (82.14%)
Shared Links in MetaPath 141 (53.01%) 141  (53.01%)
Number of Shortest Paths 46776 45178
Length Of Smallest Path 3 3
Average Path Length 16.3156 13.1356
Length of Longest Path 31 30
Minimum Path Strength 0.6975 0.291667
Average Path Strength 6.36826 4.88937
Maximum Path Strength 51.8575 39.6472
Minimum Path Correlation 0.7 0.700476
Average Path Correlation 0.904912 0.91632
Maximum Path Correlation 0.99 0.99127
Minimum % Of Corr. Nodes 4 3.7037
Average % Of Corr. Nodes 41.8598 46.6484
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 45.9458 40.942
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 s1p_off_on.zip<



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