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_off5.1163.06071524
2NT.L35 s1p1_off4.321.68426
32x60 s1p1_off8.5457.58571435
43x37 s1p1_off5.024.15214426
54x50 s1p1_off5.191674.6019639
6E2.I185 s1p1_off6.70254.68143423
75x47 s1p1_off6.39258.09857437
86x41 s1p1_off4.3454.35143427
97x50 s1p1_off6.17753.89571429
108x47 s1p1_off6.9527.19857528
11Lig Shared10.5826.7527610150
12NT.H28 Shared5.5353.86143458
13NT.Y29 Shared9.738335.38833667
141x50 Shared4.90754.41343459
15I1x50 Shared12.72510.7096448
162x42 Shared6.11756.40429448
172x50 Shared6.40755.56229459
182x57 Shared9.4585.78776576
193x25 Shared10.4047.29024569
203x26 Shared6.9486.31546
213x28 Shared7.8726.29086556
223x29 Shared10.3057.842455
233x50 Shared6.21255.11393449
24E2.Y198 Shared8.222864.90735774
255x39 Shared9.8557.08257657
265x58 Shared5.6664.21214549
276x44 Shared9.27754.69429449
286x48 Shared10.09676.28678
296x52 Shared5.55754.74571446
306x58 Shared8.1554.27343454
317x31 Shared6.84754.3725443
321x39 s1p1_on3.224.49238266
332x39 s1p1_on7.554.31393348
342x40 s1p1_on10.263310.2674359
352x46 s1p1_on5.754.27607249
362x47 s1p1_on3.322.20607249
372x61 s1p1_on8.8455.25643245
38E1x501 s1p1_on5.3252.74886255
393x44 s1p1_on4.284.28429147
403x49 s1p1_on7.216676.55286349
413x51 s1p1_on5.193335.25643348
424x42 s1p1_on3.654.83393147
43E2.W182 s1p1_on9.016674.20393345
44E2.L195 s1p1_on7.34.79857353
455x48 s1p1_on3.891.49143144
465x62 s1p1_on5.9056.21821246
476x28 s1p1_on00.770571055
486x59 s1p1_on4.013333.8075344
497x45 s1p1_on7.853336.78571349
508x50 s1p1_on6.513336.45643348
   
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
13x33 E2.Y198 s1p1_off43.00340NoNoYesYes54
23x26 E2.I185 s1p1_off28.57860YesYesYesNo63
3E2.I185 NT.I24 s1p1_off25.83410YesNoYesNo34
43x28 E1x52 s1p1_off11.8760YesYesNoNo65
5E2.C191 NT.H28 s1p1_off11.0180NoNoYesYes98
61x39 7x39 s1p1_off11.45450.115109NoYesNoNo65
72x57 7x39 s1p1_off17.12414.55502YesYesNoNo65
82x57 2x60 s1p1_off19.84850YesYesYesNo65
92x60 Lig s1p1_off16.7982.50937YesNoYesYes50
101x53 7x50 s1p1_off63.35860NoNoYesNo99
111x53 7x53 s1p1_off64.03590NoNoNoNo99
122x43 7x53 s1p1_off77.77330NoNoNoNo89
132x43 3x46 s1p1_off97.20540NoNoNoNo88
143x46 6x37 s1p1_off97.52650NoNoNoNo88
155x58 6x37 s1p1_off97.87270YesYesNoNo98
165x58 6x41 s1p1_off97.72213.79859YesYesYesNo97
173x43 6x41 s1p1_off99.80430NoNoYesNo97
187x54 7x55 s1p1_off13.49150NoNoNoNo76
197x51 7x55 s1p1_off14.7866.45925NoNoNoNo66
201x49 7x51 s1p1_off16.07047.73203NoNoNoNo86
218x50 I1x50 s1p1_off20.5760NoYesYesYes88
227x53 8x50 s1p1_off30.64070NoNoNoYes98
232x40 I1x50 s1p1_off13.80263.73939NoYesYesYes98
242x49 4x50 s1p1_off16.85310NoNoYesNo89
252x49 3x39 s1p1_off18.07740NoNoNoNo89
262x50 3x39 s1p1_off19.30161.30237YesYesNoNo99
272x39 2x43 s1p1_off30.81631.30895NoYesNoNo88
282x39 6x33 s1p1_off14.53510NoYesNoNo88
292x50 7x46 s1p1_off14.7867.73203YesYesNoNo99
303x36 5x47 s1p1_off11.93620NoNoYesNo67
313x37 5x47 s1p1_off14.32440YesNoYesNo67
323x50 5x61 s1p1_off15.61390YesYesNoNo99
335x40 6x59 s1p1_off11.55990NoNoNoYes64
346x48 6x52 s1p1_off11.52480YesYesYesYes86
358x47 8x50 s1p1_off13.27080.00657765YesNoNoYes88
366x36 8x47 s1p1_off13.42130NoNoYesNo98
376x36 7x56 s1p1_off11.20871.14122NoNoNoNo97
382x53 2x54 s1p1_off10.87251.30237NoNoNoNo87
392x53 7x46 s1p1_off13.49156.45925NoNoNoNo89
403x33 Lig Shared51.673312.3068NoNoYesYes50
413x26 E2.Y198 Shared32.291414.6616YesYesYesYes64
423x29 Lig Shared10.526326.4027YesYesYesYes50
43NT.H28 NT.I24 Shared20.079318.3714YesYesYesNo84
44Lig NT.Y29 Shared12.036524.8471YesYesYesYes07
452x57 3x32 Shared14.128728.7443YesYesNoNo66
463x32 Lig Shared17.665927.8728NoNoYesYes60
472x57 2x61 Shared11.454511.3432YesYesNoYes65
481x49 7x50 Shared18.609210.2578NoNoYesNo89
493x43 6x44 Shared10044.7017NoNoYesYes99
506x44 6x48 Shared95.544646.0731YesYesYesYes98
516x48 Lig Shared88.2695100YesYesYesYes80
521x50 7x50 Shared47.83511.5109YesYesYesNo99
531x50 2x50 Shared43.76136.1573YesYesYesYes99
542x45 4x46 Shared10.400914.6254NoNoNoNo97
552x50 7x49 Shared11.499736.5158YesYesNoNo99
562x37 2x40 Shared12.47812.2344NoNoNoYes79
572x39 3x50 Shared19.41730.4644NoYesYesYes89
583x51 5x61 Shared11.474620.5749NoYesNoNo89
596x58 E2.V194 Shared12.45819.2791YesYesNoNo44
60E2.L195 E2.V194 Shared15.117221.032NoYesNoNo34
61E2.L195 E2.Y198 Shared23.967711.3596NoYesYesYes34
623x25 NT.Y29 s1p1_on7.2098716.9111YesYesYesYes97
633x25 E2.L197 s1p1_on8.464245.9153YesYesNoNo94
64E2.L197 NT.H28 s1p1_on044.455NoNoYesYes48
653x25 3x29 s1p1_on7.5309814.2735YesYesYesYes95
66E2.L195 Lig s1p1_on041.2715NoYesYesYes30
673x25 E2.L195 s1p1_on016.6086YesYesNoYes93
68E2.L188 NT.H28 s1p1_on6.3569310.692NoNoYesYes28
692x57 7x38 s1p1_on026.873YesYesNoNo65
707x38 Lig s1p1_on9.0411927.8991NoNoYesYes50
711x39 2x57 s1p1_on028.8726NoYesYesYes66
727x45 7x49 s1p1_on037.1275NoYesNoNo99
736x48 7x45 s1p1_on6.0157537.9563YesYesNoYes89
741x50 2x51 s1p1_on1.3897916.3093YesYesNoNo96
751x55 1x59 s1p1_on010.1098NoNoNoNo46
761x51 1x55 s1p1_on011.3629NoNoNoNo44
771x51 2x51 s1p1_on012.6094NoNoNoNo46
782x37 2x39 s1p1_on013.4809NoNoNoYes78
793x46 3x50 s1p1_on038.5878NoNoYesYes89
802x46 3x46 s1p1_on046.1258NoYesNoNo98
812x46 3x43 s1p1_on044.0966NoYesNoNo99
824x42 4x46 s1p1_on013.5828NoYesNoNo77
832x45 4x50 s1p1_on6.8185212.8198NoNoYesNo99
843x38 4x50 s1p1_on2.7444714.4873NoNoYesNo79
853x38 4x53 s1p1_on015.6384NoNoNoNo78
863x37 4x53 s1p1_on2.0721517.7202YesNoNoNo68
873x37 Lig s1p1_on018.766YesNoYesYes60
882x39 3x49 s1p1_on017.4604NoYesNoYes89
893x21 3x22 s1p1_on010.692NoNoNoNo73
903x22 NT.I24 s1p1_on1.6005215.7272NoNoYesNo34
913x29 E2.Y198 s1p1_on010.123YesYesYesYes54
923x40 6x48 s1p1_on052.4831NoNoYesYes78
933x40 5x50 s1p1_on051.4997NoNoNoNo78
943x44 5x50 s1p1_on043.396NoYesNoNo78
953x44 3x48 s1p1_on040.2486NoYesNoNo76
963x51 5x57 s1p1_on037.042NoYesNoNo87
973x48 5x57 s1p1_on1.4650539.1863NoNoNoNo67
983x51 5x60 s1p1_on8.6648915.6877NoYesNoNo85
993x54 5x61 s1p1_on019.3909NoNoNoNo89
1005x64 5x68 s1p1_on012.047NoNoNoNo67
1015x60 5x64 s1p1_on7.24513.2671NoNoNoNo56
1025x40 6x58 s1p1_on015.4049NoNoYesYes64
1035x40 6x55 s1p1_on6.2264816.3948NoNoNoNo66
1046x55 Lig s1p1_on017.3321NoNoYesYes60
1056x58 7x31 s1p1_on6.9690423.8538YesYesYesYes43
1065x47 6x52 s1p1_on6.4271710.4683YesNoYesYes76
1075x62 6x33 s1p1_on014.8425NoYesNoNo68
1085x65 6x33 s1p1_on016.9966NoNoNoNo88
1093x54 5x65 s1p1_on1.4650518.1938NoNoNoNo88
1107x31 E3.C287 s1p1_on1.4048511.1458YesYesNoNo33
1111x39 7x36 s1p1_on015.8653NoYesNoNo63
1127x33 7x36 s1p1_on1.3496611.2872NoNoNoNo43

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.Y29Shared8.793.162861101
LigNT.K34Shared5.773.317141101
2x60LigShared12.176.041431110
3x29LigShared14.458.367141110
3x32LigShared15.424.121430110
3x33LigShared15.7721.70431110
3x36LigShared3.778.202861110
6x48LigShared5.435.195711110
7x35Ligs1p1_off6.3201010
7x38LigShared17.939.018571010
NT.K34NT.Y29Shared5.975.972861111
E1x50NT.Y29s1p1_off6.2400021
E1x501NT.Y29Shared5.964.395710021
3x25NT.Y29Shared10.614.682861121
E2.P196NT.Y29Shared20.8611.52290021
2x572x60s1p1_off9.300121
2x573x32Shared5.994.617140121
2x602x64s1p1_off7.4501111
2x603x29s1p1_off5.2601111
2x643x28s1p1_off3.9500012
3x28E1x50Shared7.764.618571122
3x253x28Shared106.857141122
3x253x29Shared8.7215.57711121
3x25E2.Y198Shared6.753.444291122
3x283x29Shared12.795.485711121
3x33E2.Y198s1p1_off14.4401112
3x335x39Shared10.324.717141112
3x365x47s1p1_off7.3101111
3x366x48Shared17.085.042861111
3x373x41s1p1_off5.2800012
3x374x53Shared6.523.260012
3x375x47s1p1_off5.2800011
3x405x47s1p1_off6.5500021
E2.L195E2.V194Shared4.474.470112
E2.L195E2.Y198Shared11.726.364280112
5x40E2.L195s1p1_off5.7100021
5x39E2.Y198Shared7.944.112861122
5x395x43Shared9.417.681122
5x406x55Shared5.714.280021
5x476x52Shared6.436.735710112
6x446x48Shared14.038.017141121
6x447x45Shared8.463.452861122
6x486x52s1p1_off8.0201112
6x487x41Shared10.371.667141112
6x487x45Shared5.658.555711112
6x516x55s1p1_off5.5400011
6x517x38s1p1_off4.1500011
7x337x35s1p1_off10.4700021
7x337x36Shared7.22.205710022
7x357x38s1p1_off7.9501011
3x374x56s1p1_off300012
2x64E1x47Shared1.862.122860012
2x563x32s1p1_off1.6100021
2x64Ligs1p1_on03.798570010
3x37Ligs1p1_on05.044290010
5x47Ligs1p1_on06.105710110
6x51Ligs1p1_on06.062860010
6x55Ligs1p1_on05.251430010
2x577x38s1p1_on04.688570121
2x603x28s1p1_on010.50431112
2x603x32s1p1_on06.211431111
E1x50E1x501s1p1_on05.174290022
3x25E2.L195s1p1_on03.092861121
3x29E2.L195s1p1_on04.168571111
3x29E2.Y198s1p1_on05.611431112
3x335x43s1p1_on03.191431112
3x406x48s1p1_on04.027140021
5x476x48s1p1_on011.45430111
E2.L195Ligs1p1_on05.897140110
7x357x36s1p1_on07.214291012
NT.I25NT.Y29s1p1_on02.592860021
4x565x43s1p1_on02.491430022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
s1p1_off 3V2W-S1P1-PubChem 51892645
s1p1_on 7VIE-S1P1-S1P-Gi1/β1/γ2
7VIF-S1P1-S-FTY720-P-Gi1/β1/γ2
7VIG-S1P1-CBP-307-Gi1/β1/γ2
7EVY-S1P1-Siponimod-Gi1/β1/γ2
7EVZ-S1P1-Cenerimod-Gi1/β1/γ2
7EW0-S1P1-Ozanimod-Gi1/β1/γ2
7EW7-S1P1-SEW2871-Gi1/β1/γ2
Network Difference
Value s1p1_off s1p1_on
Imin 3.65 3.08429
Number of Linked Nodes 261 289
Number of Specific Nodes 8 (3.07%) 36  (12.46%)
Number of Shared Nodes 253 (96.93%) 253  (87.54%)
Number of Links 278 315
Number of Specific Links 119 (42.81%) 156  (49.52%)
Number of Shared Links 159 (57.19%) 159  (50.48%)
Number of Hubs 31 40
Number of Specific Hubs 10 (32.26%) 19  (47.50%)
Number of Shared Hubs 21 (67.74%) 21  (52.50%)
Average % Shared Neighbours (Jaccard) 38.00
Average % Shared Neighbours (Otsuka) 46.56
Average % Shared Neighbours (Overlap Coefficient) 55.16
Average % Shared Cliques (k3-6) 54.31
Graphlets Similarity 0.588969
Paths Difference
Value s1p1_off s1p1_on
Number Of Nodes in MetaPath 65 70
Specific Nodes in MetaPath 27 (41.54%) 32  (45.71%)
Shared Nodes in MetaPath 253 (96.93%) 253  (96.93%)
Number Of Links MetaPath 61 73
Specific Links in MetaPath 39 (63.93%) 51  (69.86%)
Shared Links in MetaPath 159 (57.19%) 159  (57.19%)
Number of Shortest Paths 38970 66525
Length Of Smallest Path 3 3
Average Path Length 14.465 12.4074
Length of Longest Path 33 29
Minimum Path Strength 1.51 0.204286
Average Path Strength 6.84427 5.00865
Maximum Path Strength 21.075 17.9621
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.916381 0.929207
Maximum Path Correlation 0.99 0.997143
Minimum % Of Corr. Nodes 4.16667 4
Average % Of Corr. Nodes 47.0132 53.327
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 40.9882 45.7678
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 s1p1_off_on.zip<



You can click to copy the link of this page to easily come back here later

or use this QR code to link and share this page.



You can also  read or  download a guide explaining the meaning of all files and numerical data.