Orange: nodes, hubs and links specific of s1p5_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of s1p5_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 s1p5_off Avg Int. Strength s1p5_on Avg Int. Strength s1p5_off Num Of Links s1p5_on Num Of Links ConSurf
1NT.I15 s1p5_off4.40511.85417
2NT.Y21 s1p5_off8.877.22667435
3NT.K24 s1p5_off4.5353.835426
4NT.L25 s1p5_off5.41755.91426
51x49 s1p5_off8.175.135428
61x53 s1p5_off3.7654.67333439
71x60 s1p5_off5.671430706
8I1x50 s1p5_off9.3150608
92x39 s1p5_off6.8187.53518
102x40 s1p5_off7.57255.435428
112x47 s1p5_off5.2782.49667539
12E1x501 s1p5_off4.80254.51436
133x34 s1p5_off2.03752.68333435
143x37 s1p5_off5.80255.13667436
15E2.W173 s1p5_off6.40754.41434
16E2.T184 s1p5_off5.94754.475425
17E2.P187 s1p5_off6.032514.04424
18E2.L188 s1p5_off8.5466.95534
195x47 s1p5_off6.96257.245428
205x62 s1p5_off9.20610.37536
216x34 s1p5_off6.8168.535527
226x44 s1p5_off6.66256.80333439
236x48 s1p5_off11.31210.6433539
246x58 s1p5_off7.53754.25667434
256x61 s1p5_off4.64754.64435
267x56 s1p5_off4.09254.495427
278x54 s1p5_off2.25250406
28Lig Shared7.67.1223113130
29NT.H18 Shared5.6058.445448
30NT.Y19 Shared6.068578.9825749
311x46 Shared4.6554.5975447
321x50 Shared6.3465.9425549
332x46 Shared3.2983.97549
342x57 Shared6.1888.88547
352x61 Shared4.134.5825446
363x25 Shared8.455715.04571779
373x26 Shared6.0524.66545
383x28 Shared8.196258.1675845
393x29 Shared8.773337.6425645
404x42 Shared5.0153.54446
41E2.Y189 Shared7.115727765
425x39 Shared9.297.11833567
436x52 Shared6.42255.9447
44E3.C282 Shared4.354.2725444
457x31 Shared4.573.8651
467x49 Shared5.9453.5525449
477x53 Shared5.9824.54549
481x57 s1p5_on3.654.49247
492x38 s1p5_on5.0655.2375245
503x33 s1p5_on6.4655.545245
513x43 s1p5_on4.932.9475248
523x46 s1p5_on4.283.9875349
534x56 s1p5_on5.606671.315346
545x58 s1p5_on8.443335.845349
555x65 s1p5_on3.791.515148
567x33 s1p5_on2.875.5775144
577x45 s1p5_on7.423338.932359
587x50 s1p5_on10.19673.636359
   
Orange: nodes, hubs and links specific of s1p5_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of s1p5_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 s1p5_off Recurrence s1p5_on Recurrence s1p5_off Hub1? s1p5_on Hub1? s1p5_off Hub2? s1p5_on Hub2? ConSurf1 ConSurf2
1Lig NT.Y19 s1p5_off20.9430YesYesYesYes09
23x28 Lig s1p5_off18.17810YesYesYesYes50
33x25 3x28 s1p5_off10.82361.92261YesYesYesYes95
43x25 E2.L188 s1p5_off22.29955.75168YesYesYesNo94
5E2.L188 NT.H18 s1p5_off27.5790YesNoYesYes48
6E2.L179 NT.H18 s1p5_off13.88510NoNoYesYes28
7E2.C182 NT.H18 s1p5_off11.57781.99531NoNoYesYes98
8Lig NT.K24 s1p5_off19.43637.98934YesYesYesNo06
9NT.K24 NT.T22 s1p5_off25.47726.0748YesNoNoNo68
10E2.P187 Lig s1p5_off19.43630YesNoYesYes40
11E2.P187 NT.T22 s1p5_off25.47720YesNoNoNo48
12E2.T184 NT.T22 s1p5_off49.46920YesNoNoNo58
131x46 2x54 s1p5_off22.32270YesYesNoNo77
142x54 2x57 s1p5_off23.21280NoNoYesYes77
152x57 Lig s1p5_off1000YesYesYesYes70
161x49 7x47 s1p5_off21.23250YesNoNoNo86
171x46 7x47 s1p5_off21.53992.31844YesYesNoNo76
182x53 7x46 s1p5_off76.79440NoNoNoNo89
192x53 2x57 s1p5_off78.1170NoNoYesYes87
201x49 7x50 s1p5_off20.37822.61734YesNoNoYes89
211x50 7x50 s1p5_off20.95018.19129YesYesNoYes99
221x50 2x47 s1p5_off22.12250YesYesYesNo99
231x53 7x53 s1p5_off21.81510YesNoYesYes99
247x49 7x53 s1p5_off21.28610YesYesYesYes99
252x50 7x49 s1p5_off32.96220NoNoYesYes99
261x56 8x54 s1p5_off58.88980NoNoYesNo76
271x53 8x54 s1p5_off81.00690YesNoYesNo96
281x56 1x60 s1p5_off13.53660NoNoYesNo76
291x56 I1x50 s1p5_off43.4730NoNoYesNo78
302x40 I1x50 s1p5_off32.22230YesNoYesNo88
312x39 2x40 s1p5_off28.52620YesNoYesNo88
322x39 3x50 s1p5_off22.89280YesNoNoNo89
333x37 4x56 s1p5_off36.17920YesNoNoYes66
344x56 5x39 s1p5_off36.86738.00549NoYesYesYes67
355x39 E2.Y189 s1p5_off42.24692.46385YesYesYesYes75
363x29 E2.Y189 s1p5_off33.43763.25551YesYesYesYes55
373x37 5x47 s1p5_off27.31270YesNoYesNo68
383x40 5x47 s1p5_off13.32210NoNoYesNo88
396x31 6x34 s1p5_off19.34160NoNoYesNo47
403x50 6x31 s1p5_off21.11450NoNoNoNo94
416x58 E2.T184 s1p5_off21.69182.01955YesNoYesNo45
427x31 E2.T184 s1p5_off24.79090YesYesYesNo15
436x58 E2.V185 s1p5_off11.06480YesNoNoNo44
447x54 8x54 s1p5_off14.21580NoNoYesNo76
453x25 E2.Y189 s1p5_off10.99693.12626YesYesYesYes95
463x29 Lig Shared41.42346.9505YesYesYesYes50
473x25 NT.Y19 Shared18.823335.5037YesYesYesYes99
481x50 2x50 Shared44.311211.8992YesYesNoNo99
492x50 7x46 Shared76.88228.9684NoNoNoNo99
501x53 2x47 Shared20.708825.5675YesNoYesNo99
511x53 7x50 Shared40.520427.999YesNoNoYes99
52NT.H18 NT.L17 s1p5_on013.846YesYesNoNo83
53E2.P187 NT.H18 s1p5_on023.0794YesNoYesYes48
54E2.P187 NT.Y19 s1p5_on6.6825124.9132YesNoYesYes49
553x25 3x29 s1p5_on8.3428640.8434YesYesYesYes95
567x31 E3.R280 s1p5_on011.6568YesYesNoNo13
577x31 E3.C282 s1p5_on6.3429420.6075YesYesYesYes14
586x57 E3.C282 s1p5_on037.4424NoNoYesYes54
596x54 6x57 s1p5_on040.8676NoNoNoNo55
606x54 6x55 s1p5_on049.1478NoNoNoNo56
616x51 6x55 s1p5_on050.7553NoNoNoNo76
626x51 Lig s1p5_on053.922NoNoYesYes70
632x57 7x38 s1p5_on018.1679YesYesNoNo75
647x38 Lig s1p5_on1.7068241.2877NoNoYesYes50
657x42 7x46 s1p5_on029.2431NoNoNoNo79
667x38 7x42 s1p5_on029.5743NoNoNoNo57
676x47 7x45 s1p5_on5.367110.1058NoNoNoYes89
686x48 7x45 s1p5_on5.3331496.6476YesNoNoYes99
693x36 6x48 s1p5_on4.4270199.8869NoNoYesNo79
703x36 Lig s1p5_on0100NoNoYesYes70
711x50 2x51 s1p5_on2.2018912.3193YesYesNoNo97
722x50 7x50 s1p5_on016.7865NoNoNoYes99
737x49 7x50 s1p5_on026.7792YesYesNoYes99
747x45 7x49 s1p5_on035.7056NoYesYesYes99
751x57 2x43 s1p5_on015.7202NoYesNoNo78
762x43 2x47 s1p5_on018.1517NoNoYesNo89
772x38 4x42 s1p5_on0.62553615.9625NoYesYesYes56
782x42 4x42 s1p5_on3.7407153.5504NoNoYesYes86
792x42 3x46 s1p5_on6.1642157.234NoNoNoYes89
802x46 3x46 s1p5_on7.2526543.8565YesYesNoYes99
812x46 3x43 s1p5_on021.181YesYesNoYes98
823x43 7x45 s1p5_on061.0712NoYesNoYes89
833x46 7x53 s1p5_on018.1679NoYesYesYes99
843x43 7x53 s1p5_on043.4849NoYesYesYes89
852x46 7x49 s1p5_on7.4224329.6066YesYesYesYes99
863x38 4x53 s1p5_on5.5529710.0493NoNoNoNo77
873x37 4x53 s1p5_on6.4662621.5849YesNoNoNo67
883x37 Lig s1p5_on027.1347YesNoYesYes60
893x34 4x53 s1p5_on010.0493YesNoNoNo57
903x40 Lig s1p5_on010.0493NoNoYesYes80
913x50 7x53 s1p5_on022.2635NoNoYesYes99
923x50 5x58 s1p5_on027.5063NoNoNoYes99
935x65 6x33 s1p5_on012.6666NoYesNoNo88
946x33 6x37 s1p5_on021.2376NoNoNoNo88
955x58 6x37 s1p5_on022.7886NoYesNoNo98
964x42 4x43 s1p5_on016.4634YesYesNoNo61
974x42 4x45 s1p5_on019.5735YesYesNoNo65
986x61 E3.P278 s1p5_on012.0123YesNoNoNo53
996x61 E3.C282 s1p5_on0.012510713.3371YesNoYesYes54
1005x47 6x52 s1p5_on8.0086513.9591YesNoYesYes87
1015x47 Lig s1p5_on015.8898YesNoYesYes80
1024x41 4x45 s1p5_on011.6488NoNoNoNo75
1034x39 4x43 s1p5_on012.6666NoNoNoNo71
1043x33 Lig s1p5_on024.6547NoYesYesYes50
1053x33 5x39 s1p5_on018.2648NoYesYesYes57

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
LigNT.Y19s1p5_off7.3501001
LigNT.K24Shared3.534.671001
2x57Ligs1p5_off10.2801010
2x60LigShared8.611.821010
2x61Ligs1p5_off4.4700010
3x28Ligs1p5_off4.5701110
3x29LigShared14.129.651110
3x32LigShared7.470.991010
E2.P187Ligs1p5_off3.0901010
7x35Ligs1p5_off5.9500510
7x38LigShared19.957.330010
7x39Ligs1p5_off3.2200010
7x42Ligs1p5_off6.201010
NT.I15NT.Y19s1p5_off3.6301021
3x25NT.I15s1p5_off3.5201122
NT.K24NT.Y19s1p5_off3.5801011
E1x50NT.Y19s1p5_off3.7501121
E1x501NT.Y19Shared5.863.521121
3x25NT.Y19Shared5.793.861121
E2.P187NT.Y19Shared12.5225.031011
NT.K24NT.T22Shared6.0131012
E2.P187NT.T22s1p5_off3.501012
E2.P187NT.K24s1p5_off5.0201011
E1x501NT.L25Shared4.158.31122
1x392x61s1p5_off3.2700021
1x397x42s1p5_off3.2400021
1x402x61Shared7.144.280021
2x532x57s1p5_off5.3400021
2x537x46s1p5_off3.4200022
2x542x57s1p5_off4.3500021
2x573x32s1p5_off3.7901011
2x577x42s1p5_off7.1801011
2x603x28Shared9.643.621011
2x603x29s1p5_off10.5201011
2x633x28Shared3.6414.580121
2x64E1x50s1p5_off3.201022
2x643x28s1p5_off9.2201021
3x28E1x50Shared11.646.471112
3x28E1x52s1p5_off6.0701112
3x253x28Shared881121
3x253x29Shared6.543.271121
3x25E2.Y189Shared4.825.791122
3x283x29s1p5_off12.7901111
3x29E2.L186Shared5.35.31112
3x29E2.Y189Shared3.3712.351112
3x33E2.L186s1p5_off3.6501112
3x33E2.Y189Shared9.284.131112
3x365x47s1p5_off7.3104011
3x366x48Shared15.946.834012
3x366x52s1p5_off3.6504012
3x374x53Shared6.43.20012
3x374x56s1p5_off7.3700012
3x375x47s1p5_off6.4900011
3x405x47s1p5_off6.5500011
3x405x50Shared4.613.070012
3x406x44s1p5_off3.9300012
4x565x39Shared4.691.171022
4x565x43s1p5_off4.7601021
6x55E2.V185s1p5_off4.4700022
E2.L186E2.Y189Shared11.728.211122
5x39E2.Y189Shared3.975.961122
5x395x43s1p5_off9.4101121
5x476x52Shared7.59.654012
6x446x48Shared13.037.024222
6x486x52s1p5_off13.0304222
6x487x41s1p5_off7.7804222
3x373x41Shared2.951.470012
6x517x38s1p5_off2.7700011
7x34E2.V185s1p5_off1.700012
1x432x61s1p5_off1.6400021
E2.P187NT.H18s1p5_on03.051012
NT.L25NT.Y19s1p5_on03.521121
1x357x33s1p5_on06.530522
1x357x35s1p5_on03.990521
1x392x57s1p5_on08.060021
2x563x32s1p5_on03.390021
2x572x61s1p5_on010.881011
2x577x38s1p5_on015.241011
2x63E1x50s1p5_on02.950122
E1x50E1x52s1p5_on05.91122
3x25E2.L186s1p5_on04.561122
3x335x39s1p5_on09.281112
3x33Ligs1p5_on07.261110
3x36Ligs1p5_on07.334010
3x37Ligs1p5_on010.740010
3x40Ligs1p5_on07.890010
5x43Ligs1p5_on011.561010
5x47Ligs1p5_on04.844010
6x516x55s1p5_on05.540012
6x51Ligs1p5_on06.420010
7x337x35s1p5_on05.220521
7x387x42s1p5_on02.830011
7x427x46s1p5_on07.671012
7x34Ligs1p5_on02.090010
1x397x39s1p5_on01.960021
2x532x54s1p5_on01.950022
1x362x61s1p5_on01.620021
6x517x41s1p5_on01.580012
2x612x64s1p5_on01.550012
3x334x57s1p5_on01.511112
1x432x57s1p5_on01.340021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
s1p5_off 7YXA-S1P5-ONO-5430608
s1p5_on 7EW1-S1P5-Siponimod-Gi1/β1/γ2
Network Difference
Value s1p5_off s1p5_on
Imin 3.07 2.75
Number of Linked Nodes 252 228
Number of Specific Nodes 50 (19.84%) 26  (11.40%)
Number of Shared Nodes 202 (80.16%) 202  (88.60%)
Number of Links 299 248
Number of Specific Links 193 (64.55%) 142  (57.26%)
Number of Shared Links 106 (35.45%) 106  (42.74%)
Number of Hubs 47 31
Number of Specific Hubs 27 (57.45%) 11  (35.48%)
Number of Shared Hubs 20 (42.55%) 20  (64.52%)
Average % Shared Neighbours (Jaccard) 23.28
Average % Shared Neighbours (Otsuka) 30.24
Average % Shared Neighbours (Overlap Coefficient) 36.14
Average % Shared Cliques (k3-6) 52.54
Graphlets Similarity 0.605556
Paths Difference
Value s1p5_off s1p5_on
Number Of Nodes in MetaPath 46 58
Specific Nodes in MetaPath 25 (54.35%) 37  (63.79%)
Shared Nodes in MetaPath 202 (80.16%) 202  (80.16%)
Number Of Links MetaPath 51 60
Specific Links in MetaPath 45 (88.24%) 54  (90.00%)
Shared Links in MetaPath 106 (35.45%) 106  (35.45%)
Number of Shortest Paths 86770 27693
Length Of Smallest Path 3 3
Average Path Length 15.2146 11.5815
Length of Longest Path 32 25
Minimum Path Strength 1.32 1.13
Average Path Strength 6.00957 5.7908
Maximum Path Strength 19.625 14.445
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.926078 0.923708
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.57143 5
Average % Of Corr. Nodes 42.3295 54.4678
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 55.1428 42.1872
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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