Orange: nodes, hubs and links specific of s1p1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of s1p1_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 s1p1_off Avg Int. Strength s1p1_on Avg Int. Strength s1p1_off Num Of Links s1p1_on Num Of Links ConSurf
1NT.I24 s1p1_off6.012.27625424
21x49 s1p1_off9.685.77583438
32x45 s1p1_off7.536.51708439
42x60 s1p1_off7.5357.49125435
54x50 s1p1_off4.971674.41792639
6E2.I185 s1p1_off7.30759.735413
75x36 s1p1_off7.2557.86434
85x47 s1p1_off5.57758.395437
96x29 s1p1_off5.4650.57375416
106x38 s1p1_off2.972.4975415
117x53 s1p1_off5.434.49792439
12NT.Y29 Shared9.446.00938667
131x39 Shared4.82255.0895456
14I1x50 Shared12.1110.6106448
152x39 Shared8.01753.71812448
162x57 Shared9.0426.17516586
172x61 Shared4.715.2445
183x21 Shared7.06753.85063447
193x25 Shared9.726677.36875669
203x26 Shared6.135.72094446
213x28 Shared8.191675.20161676
223x29 Shared11.498.18725455
233x33 Shared9.16759.23406445
243x49 Shared8.426.4075449
253x50 Shared10.34755.24156449
26E2.Y198 Shared7.1585.80896564
275x39 Shared10.4127.6185557
286x44 Shared9.2254.68937449
296x48 Shared10.5766.51375578
306x52 Shared4.44754.459456
316x58 Shared7.42755.02781444
327x31 Shared6.43754.955443
337x45 Shared6.76756.82281449
347x49 Shared5.35255.40594449
35Lig Shared10.4656.8163310150
36NT.H28 s1p1_on6.616674.415358
37NT.L35 s1p1_on5.733331.78656346
381x50 s1p1_on5.716674.59875359
391x59 s1p1_on2.0352.59969246
402x40 s1p1_on12.61338.44937369
412x42 s1p1_on5.543336.05312348
422x46 s1p1_on4.764.554359
432x47 s1p1_on2.832.44844349
442x50 s1p1_on7.476675.93675359
45E1x501 s1p1_on6.813332.479355
463x44 s1p1_on5.713.97563247
473x51 s1p1_on4.785.28781248
48I2x54 s1p1_on01.86281044
494x42 s1p1_on3.653.913157
50E2.W182 s1p1_on9.903334.60063345
51E2.N183 s1p1_on6.765.12875345
52E2.L195 s1p1_on7.516.03844243
535x42 s1p1_on5.9752.49344245
545x58 s1p1_on4.656674.28281349
555x66 s1p1_on04.17188045
566x28 s1p1_on1.5750.755625245
576x59 s1p1_on5.242.73969244
588x49 s1p1_on8.9953.79031247
598x54 s1p1_on5.883332.87563347
   
Orange: nodes, hubs and links specific of s1p1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of s1p1_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 s1p1_off Recurrence s1p1_on Recurrence s1p1_off Hub1? s1p1_on Hub1? s1p1_off Hub2? s1p1_on Hub2? ConSurf1 ConSurf2
13x26 E2.L197 s1p1_off26.95250.21944YesYesNoNo64
23x26 E2.I185 s1p1_off15.50070YesYesYesNo63
3NT.K34 NT.Y29 s1p1_off17.4612.72186NoNoYesYes67
4E2.P196 NT.Y29 s1p1_off17.4611.81793NoNoYesYes37
5NT.K34 NT.T32 s1p1_off16.66250NoNoNoNo68
6E2.P196 NT.T32 s1p1_off16.66250.909969NoNoNoNo38
7E2.T193 NT.T32 s1p1_off31.6590NoNoNoNo58
81x39 2x61 s1p1_off10.7440.102674YesYesYesYes65
92x57 2x60 s1p1_off20.23860YesYesYesNo65
101x43 2x57 s1p1_off10.7445.5786NoNoYesYes56
113x36 6x48 s1p1_off95.50010.559671NoNoYesYes68
123x36 Lig s1p1_off1000.491222NoNoYesYes60
131x56 8x54 s1p1_off18.56021.27436NoNoNoYes87
141x56 8x57 s1p1_off10.46530NoNoNoNo86
151x60 8x57 s1p1_off13.70010NoNoNoNo66
161x60 I1x50 s1p1_off14.82126.1121NoNoYesYes68
178x50 I1x50 s1p1_off31.61210NoNoYesYes88
187x53 8x50 s1p1_off42.14630YesNoNoNo98
197x49 7x53 s1p1_off61.38910YesYesYesNo99
201x56 1x57 s1p1_off10.46530NoNoNoNo87
211x57 2x40 s1p1_off11.58011.27436NoNoNoYes79
222x40 I1x50 s1p1_off14.85888.35481NoYesYesYes98
236x29 8x49 s1p1_off15.83580YesNoNoYes67
246x33 8x49 s1p1_off17.72720NoNoNoYes87
252x39 6x33 s1p1_off12.65420YesYesNoNo88
262x39 2x43 s1p1_off20.41081.27436YesYesNoNo88
272x43 7x53 s1p1_off21.29080NoNoYesNo89
286x33 8x47 s1p1_off12.81390NoNoNoNo88
298x47 8x50 s1p1_off17.16350.0161057NoNoNoNo88
302x45 3x42 s1p1_off15.54774.21767YesNoNoNo98
312x46 3x42 s1p1_off16.62496.50064NoYesNoNo98
323x36 5x47 s1p1_off10.88180NoNoYesNo67
335x54 6x41 s1p1_off17.6520NoNoNoNo87
346x41 6x45 s1p1_off19.38690NoNoNoNo76
355x51 6x45 s1p1_off20.32940.889837NoNoNoNo56
365x51 6x44 s1p1_off21.33461.77766NoNoYesYes59
373x47 5x54 s1p1_off15.02790NoNoNoNo88
38E2.L195 E2.Y198 s1p1_off11.78993.93179NoYesYesYes34
396x58 E2.S192 s1p1_off15.95480.863666YesYesNoNo44
407x31 E2.T193 s1p1_off19.68750.0201321YesYesNoNo35
415x40 E2.S192 s1p1_off11.42670NoNoNoNo64
426x54 7x31 s1p1_off13.17094.28612NoNoYesYes43
437x54 8x54 s1p1_off11.64598.63263NoNoNoYes77
442x60 Lig s1p1_off15.20010.587856YesNoYesYes50
456x58 E2.T193 s1p1_off10.4090.84152YesYesNoNo45
463x25 3x28 Shared17.880618.59YesYesYesYes96
473x25 E2.L197 Shared44.839435.7284YesYesNoNo94
483x25 NT.Y29 Shared16.98517.6518YesYesYesYes97
49E2.L188 NT.H28 Shared13.521613.2852NoNoNoYes28
50E2.L197 NT.H28 Shared17.824333.8601NoNoNoYes48
51Lig NT.Y29 Shared46.630628.4969YesYesYesYes07
523x28 Lig Shared18.672923.7961YesYesYesYes60
533x29 Lig Shared13.199120.5267YesYesYesYes50
543x25 3x29 Shared15.450618.6866YesYesYesYes95
55E2.L188 NT.Y31 Shared11.608311.0807NoNoNoNo25
562x57 2x61 Shared21.265712.2403YesYesYesYes65
572x50 7x49 Shared13.787813.1885NoYesYesYes99
582x46 7x49 Shared70.617545.4401NoYesYesYes99
592x46 3x43 Shared79.485845.9192NoYesNoNo99
603x43 6x44 Shared80.005646.2937NoNoYesYes99
616x44 6x48 Shared94.278846.7366YesYesYesYes98
623x32 Lig Shared18.497521.0018NoNoYesYes60
633x47 5x58 Shared10.011317.5189NoNoNoYes89
646x58 E2.V194 Shared10.083311.7511YesYesNoNo44
65E2.L195 E2.V194 Shared10.978913.2268NoYesNoNo34
663x33 Lig Shared17.348315.7151YesYesYesYes50
672x57 3x32 Shared14.727321.8876YesYesNoNo66
681x39 2x57 s1p1_on012.2182YesYesYesYes66
692x57 7x38 s1p1_on020.3294YesYesNoNo65
707x38 Lig s1p1_on1.1398521.1528NoNoYesYes50
711x50 2x50 s1p1_on9.2910413.877NoYesNoYes99
727x45 7x49 s1p1_on058.6367YesYesYesYes99
736x48 7x45 s1p1_on3.0155958.8762YesYesYesYes89
746x48 Lig s1p1_on0100YesYesYesYes80
752x40 8x50 s1p1_on010.8894NoYesNoNo98
762x37 2x40 s1p1_on2.4018327.0494NoNoNoYes79
772x37 2x39 s1p1_on028.2332NoNoYesYes78
782x39 3x50 s1p1_on9.0248644.8623YesYesYesYes89
793x46 3x50 s1p1_on085.5532NoNoYesYes89
802x46 3x46 s1p1_on093.6222NoYesNoNo98
813x37 Lig s1p1_on010.7425NoNoYesYes60
822x39 3x49 s1p1_on5.4675317.9598YesYesYesYes89
833x40 6x48 s1p1_on011.8598NoNoYesYes78
843x40 5x50 s1p1_on6.1470510.8935NoNoNoNo78
853x50 5x58 s1p1_on049.8591YesYesNoYes99
863x51 5x57 s1p1_on015.1796NoYesNoNo87
873x47 5x57 s1p1_on9.8922816.3311NoNoNoNo87
885x58 6x41 s1p1_on028.5271NoYesNoNo97
895x62 6x33 s1p1_on013.4402NoNoNoNo68
906x33 6x37 s1p1_on023.9048NoNoNoNo88
916x37 6x41 s1p1_on025.0544NoNoNoNo87
925x65 6x33 s1p1_on010.2613NoNoNoNo88
93NT.H28 NT.I24 s1p1_on012.0289NoYesYesNo84
943x25 3x26 s1p1_on014.6058YesYesYesYes96
95E2.L195 Lig s1p1_on015.2943NoYesYesYes30
963x33 5x39 s1p1_on9.068710.5713YesYesYesYes57

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
NT.K34NT.Y29Shared7.176.271021
E1x50NT.Y29Shared4.994.05750121
E1x501NT.Y29Shared6.953.846250121
3x25NT.Y29Shared8.685.906251121
E2.P196NT.Y29Shared20.8612.691021
LigNT.Y29Shared7.993.286251101
E2.P196NT.K34s1p1_off5.0201022
2x572x60s1p1_off6.9800121
2x573x32Shared5.995.836250121
2x603x28Shared7.238.888751111
2x603x29s1p1_off6.5701111
2x60LigShared9.367.973751110
2x63E1x52s1p1_off6.9200022
3x28E1x50Shared6.475.49751112
3x28E1x52Shared4.862.42751112
3x253x28Shared126.51121
3x253x29Shared7.6314.58371121
3x25E2.Y198s1p1_off4.8201122
3x283x29Shared12.796.398751111
3x28LigShared5.83.208751110
3x29LigShared18.978.2851110
3x32LigShared14.453.40750110
3x33E2.Y198Shared13.415.28751112
3x335x39Shared4.135.93251112
3x335x43Shared4.193.491112
3x33LigShared14.9422.22621110
3x365x47s1p1_off4.8700111
3x366x48Shared15.946.120111
3x36LigShared4.728.06750110
3x374x53Shared6.524.0750012
3x375x47s1p1_off5.2800011
3x405x47s1p1_off7.8700021
E2.L195E2.V194Shared4.474.656250112
E2.L195E2.Y198Shared10.557.620112
5x395x43Shared9.417.2251122
5x406x55Shared7.143.566250021
5x476x52Shared4.297.501250112
6x446x48Shared15.036.7654121
6x447x45Shared7.254.234122
6x486x52s1p1_off7.0204112
6x487x41Shared10.373.403754112
6x487x45Shared4.528.616254112
6x516x55s1p1_off4.1500011
7x35Ligs1p1_off4.5200010
7x38LigShared19.818.863750010
2x64LigShared4.095.428750010
2x64E1x47Shared3.712.55250012
2x563x32s1p1_off1.6100021
2x577x38s1p1_on06.59250121
2x603x32s1p1_on05.611251111
2x633x28s1p1_on03.490021
E1x50E1x501s1p1_on03.4350122
3x29E2.L195s1p1_on05.636251111
3x29E2.Y198s1p1_on06.03251112
3x37Ligs1p1_on06.071250010
3x406x48s1p1_on04.13750021
E2.L195Ligs1p1_on06.241250110
5x39E2.Y198s1p1_on05.08751122
5x476x48s1p1_on012.15250111
5x47Ligs1p1_on05.531250110
6x48Ligs1p1_on04.401254110
6x51Ligs1p1_on04.69750010
6x55Ligs1p1_on04.5550010
7x357x36s1p1_on04.62750012
2x577x35s1p1_on01.68250121

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
s1p1_off 3V2Y-S1P1-PubChem 51892645
s1p1_on 7TD3-S1P1-S1P-Gi1/&β;1/&γ;2
7TD4-S1P1-Siponimod-Gi1/&β;1/&γ;2
7VIF-S1P1-(S)-FTY720-P-Gi1/&β;1/&γ;2
7EO4-S1P1-BAF312-Gi1/&β;1/&γ;2
7VIG-S1P1-CBP-307-Gi1/&β;1/&γ;2
7EVZ-S1P1-Cenerimod-Gi1/&β;1/&γ;2
7EW0-S1P1-Ozanimod-Gi1/&β;1/&γ;2
7EW7-S1P1-PubChem 4077460-Gi1/&β;1/&γ;2
Network Difference
Value s1p1_off s1p1_on
Imin 4.11 3.16125
Number of Linked Nodes 263 297
Number of Specific Nodes 11 (4.18%) 45  (15.15%)
Number of Shared Nodes 252 (95.82%) 252  (84.85%)
Number of Links 277 327
Number of Specific Links 107 (38.63%) 157  (48.01%)
Number of Shared Links 170 (61.37%) 170  (51.99%)
Number of Hubs 35 48
Number of Specific Hubs 11 (31.43%) 24  (50.00%)
Number of Shared Hubs 24 (68.57%) 24  (50.00%)
Average % Shared Neighbours (Jaccard) 39.26
Average % Shared Neighbours (Otsuka) 47.42
Average % Shared Neighbours (Overlap Coefficient) 55.71
Average % Shared Cliques (k3-6) 54.84
Graphlets Similarity 0.605322
Paths Difference
Value s1p1_off s1p1_on
Number Of Nodes in MetaPath 62 48
Specific Nodes in MetaPath 31 (50.00%) 17  (35.42%)
Shared Nodes in MetaPath 252 (95.82%) 252  (95.82%)
Number Of Links MetaPath 67 51
Specific Links in MetaPath 45 (67.16%) 29  (56.86%)
Shared Links in MetaPath 170 (61.37%) 170  (61.37%)
Number of Shortest Paths 55906 89224
Length Of Smallest Path 3 3
Average Path Length 13.7277 12.9627
Length of Longest Path 26 26
Minimum Path Strength 1.235 0.343125
Average Path Strength 7.61905 5.32288
Maximum Path Strength 20.275 17.9131
Minimum Path Correlation 0.7 0.70125
Average Path Correlation 0.926894 0.919237
Maximum Path Correlation 0.99 0.99375
Minimum % Of Corr. Nodes 5.26316 4.54545
Average % Of Corr. Nodes 52.4508 47.8954
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 42.2499 53.5667
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).

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