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
11x49 s1p_off9.682.96229438
22x39 s1p_off8.01752.60156438
32x45 s1p_off7.535.82339429
42x60 s1p_off7.5356.30281435
53x50 s1p_off10.34755.46885439
65x47 s1p_off5.57758.32681437
76x29 s1p_off5.4651.16776426
86x38 s1p_off2.973.10021415
96x44 s1p_off9.2254.745439
10NT Shared29.298318.59641296
111x39 Shared4.82252.8471456
12I1x50 Shared12.113.40836448
132x57 Shared9.0424.60061566
142x61 Shared4.713.81917445
153x25 Shared15.5510.0504459
163x28 Shared8.191675.90125656
173x29 Shared10.6629.94331545
183x33 Shared9.77754.71859465
193x49 Shared8.424.87396449
204x50 Shared4.971673.76734649
21E2 Shared20.892414.991117184
225x39 Shared11.2066.97826567
236x48 Shared10.5766.06844578
246x52 Shared4.44755.85284446
25E3 Shared8.4655.98077672
267x31 Shared6.43753.95723453
277x45 Shared6.76757.40508449
287x49 Shared5.35254.67857449
297x53 Shared5.434.24604459
30Lig Shared10.5615.595810140
311x59 s1p_on2.0352.17069256
322x40 s1p_on12.61334.29776369
332x42 s1p_on5.543335.02785358
342x46 s1p_on4.764.63594349
352x50 s1p_on7.476675.47135359
363x44 s1p_on5.713.8437247
373x51 s1p_on4.784.35237248
384x42 s1p_on3.653.681157
395x58 s1p_on4.656674.3044359
405x62 s1p_on1.215.03146156
415x66 s1p_on02.6169045
426x26 s1p_on1.8251.50229244
437x52 s1p_on3.072.5751148
   
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 2x61 s1p_off19.34685.25616YesYesYesYes65
22x57 2x60 s1p_off17.3280YesYesYesNo65
32x60 Lig s1p_off14.66097.69506YesNoYesYes50
42x57 3x32 s1p_off14.29164.7193YesYesNoNo66
53x32 Lig s1p_off18.41120NoNoYesYes60
62x46 7x49 s1p_off74.6011.3754NoYesYesYes99
73x43 6x44 s1p_off83.31620NoNoYesNo99
86x44 6x48 s1p_off96.81182.35709YesNoYesYes98
93x36 6x48 s1p_off96.56560.782289NoNoYesYes68
103x36 Lig s1p_off1000.787402NoNoYesYes60
111x56 8x54 s1p_off21.03738.32907NoNoNoNo87
121x56 8x57 s1p_off11.86660NoNoNoNo86
131x60 8x57 s1p_off15.44050NoNoNoNo66
148x50 I1x50 s1p_off35.52990NoNoYesYes88
157x53 8x50 s1p_off45.95220YesYesNoNo98
167x49 7x53 s1p_off65.58620YesYesYesYes99
171x56 1x57 s1p_off11.86660NoNoNoNo87
181x57 2x40 s1p_off13.12224.88803NoNoNoYes79
196x29 8x49 s1p_off17.3690YesNoNoNo67
206x33 8x49 s1p_off19.38780NoNoNoNo87
212x39 6x33 s1p_off14.38180YesNoNoNo88
222x39 2x43 s1p_off22.49390YesNoNoNo88
232x43 7x53 s1p_off23.44180NoNoYesYes89
246x33 8x47 s1p_off14.64040NoNoNoNo88
258x47 8x50 s1p_off19.31391.31404NoNoNoNo88
262x45 3x42 s1p_off17.40180YesNoNoNo98
272x46 3x42 s1p_off18.60821.39585NoYesNoNo98
282x45 4x50 s1p_off10.33614.15175YesNoYesYes99
293x29 Lig s1p_off18.21435.28173YesYesYesYes50
303x33 Lig s1p_off21.76778.87105YesYesYesYes50
31E2 NT s1p_off18.82161.54413YesYesYesYes46
323x33 E2 s1p_off17.28280.966357YesYesYesYes54
333x36 5x47 s1p_off12.0020NoNoYesNo67
345x54 6x41 s1p_off18.94870NoNoNoNo87
356x41 6x45 s1p_off20.81160NoNoNoNo76
365x51 6x45 s1p_off21.84151.39585NoNoNoNo56
375x51 6x44 s1p_off22.95352.78658NoNoYesNo59
383x47 5x58 s1p_off11.6451.91737NoNoNoYes89
393x47 5x54 s1p_off16.37190NoNoNoNo88
402x39 3x50 s1p_off11.11160YesNoYesNo89
413x47 5x57 s1p_off11.32080NoNoNoNo87
425x40 E2 s1p_off11.17720NoNoYesYes64
435x58 6x38 s1p_off10.2130NoYesYesNo95
446x54 7x31 s1p_off20.33156.5702NoNoYesYes43
457x31 E2 s1p_off17.59068.88128YesYesYesYes34
466x54 7x37 s1p_off14.56245.53738NoNoNoNo44
477x54 8x54 s1p_off13.20830NoNoNoNo77
483x29 E2 s1p_off20.25770.603334YesYesYesYes54
49Lig NT Shared34.118413.8409YesYesYesYes06
501x50 2x50 Shared10.53325.4781NoNoNoYes99
512x50 7x49 Shared15.604632.4113NoYesYesYes99
522x46 3x43 Shared82.840321.3059NoYesNoNo99
531x60 I1x50 Shared16.704318.9794NoNoYesYes68
542x40 I1x50 Shared16.753523.1363NoYesYesYes98
551x39 2x57 s1p_on023.7908YesYesYesYes66
562x57 7x38 s1p_on016.5508YesYesNoNo65
577x38 Lig s1p_on1.2884217.4711NoNoYesYes50
581x50 7x50 s1p_on7.9479714.8021NoNoNoNo99
597x45 7x49 s1p_on072.4409YesYesYesYes99
606x48 7x45 s1p_on3.1307771.2598YesYesYesYes89
616x48 Lig s1p_on054.0137YesYesYesYes80
627x42 7x46 s1p_on028.28NoNoNoNo79
632x57 7x42 s1p_on1.653627.9783YesYesNoNo67
642x37 2x40 s1p_on2.7368638.6287NoNoNoYes79
652x37 2x39 s1p_on040.1421NoNoYesNo78
662x39 3x49 s1p_on6.08144.1047YesNoYesYes89
672x42 3x49 s1p_on3.9432160.3589NoYesYesYes89
682x42 3x46 s1p_on073.1874NoYesNoNo88
693x46 7x53 s1p_on067.9568NoNoYesYes89
703x43 7x53 s1p_on0100NoNoYesYes99
713x43 7x49 s1p_on079.5173NoNoYesYes99
721x59 1x60 s1p_on017.7523NoYesNoNo66
732x42 4x42 s1p_on1.2268712.307NoYesNoYes87
743x38 4x50 s1p_on1.3171410.8344NoNoYesYes79
753x38 4x53 s1p_on013.4932NoNoNoNo78
763x37 4x53 s1p_on1.8177319.8589NoNoNoNo68
773x37 Lig s1p_on021.1013NoNoYesYes60
783x40 Lig s1p_on015.6202NoNoYesYes70
793x40 5x50 s1p_on7.2340129.819NoNoNoNo78
803x44 5x50 s1p_on023.53NoYesNoNo78
815x58 7x53 s1p_on037.6163NoYesYesYes99
823x51 5x57 s1p_on016.9854NoYesNoNo87
833x48 5x57 s1p_on018.3148NoNoNoNo67
843x44 3x48 s1p_on2.909219.6339NoYesNoNo76
855x47 6x52 s1p_on6.5200410.589YesNoYesYes76
865x62 6x33 s1p_on018.2432NoYesNoNo68
876x33 6x37 s1p_on034.7173NoNoNoNo88
885x58 6x37 s1p_on2.8599636.0262NoYesNoNo98
891x39 7x35 s1p_on018.8772YesYesNoNo63
904x56 5x39 s1p_on010.0061NoNoYesYes57
913x51 3x55 s1p_on010.1749NoYesNoNo86
921x56 1x59 s1p_on010.0828NoNoNoYes86
935x69 6x26 s1p_on013.2989NoNoNoYes04
945x65 5x69 s1p_on014.7254NoNoNoNo80
955x65 6x33 s1p_on016.1622NoNoNoNo88
961x32 1x34 s1p_on011.5605NoNoNoNo44
971x32 7x35 s1p_on012.7978NoNoNoNo43
98E2 Lig s1p_on024.9156YesYesYesYes40
992x50 7x46 s1p_on4.0088630.2025NoYesNoNo99
1002x46 2x50 s1p_on020.8559NoYesNoYes99
1013x40 6x48 s1p_on015.4208NoNoYesYes78

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
NTNTShared75.3232.0041111
E2NTShared108.865.46761111
3x21NTs1p_off1101021
3x22NTShared5.085.012290121
E1x501NTShared24.1213.48040121
3x25NTShared14.555.753441121
E1x50NTs1p_off4.9901021
LigNTShared8.954.717711101
E3NTShared14.857.185731121
1x31NTs1p_off6.1201021
2x572x60s1p_off6.9800221
2x573x32Shared5.993.554060221
2x603x28Shared7.235.939691011
2x603x29s1p_off6.5701011
2x60LigShared9.369.22511010
2x63E1x52s1p_off6.9200022
2x64LigShared4.093.545520010
3x28E1x50Shared6.473.530211112
3x28E1x52s1p_off4.8601112
3x253x28Shared127.6251121
3x253x29Shared7.6314.09591121
3x25E2Shared28.0217.49411121
3x26E2Shared22.0113.87821121
3x283x29Shared12.796.058851111
3x28Ligs1p_off5.801110
3x29E2Shared7.3512.12391111
3x29LigShared18.977.494581110
3x32Ligs1p_off14.4500010
3x33E2Shared15.853.384171111
3x335x39Shared4.138.703961112
3x335x43Shared4.193.230831111
3x33LigShared14.9410.50741110
3x365x47s1p_off4.8700111
3x366x48Shared15.945.799170111
3x36LigShared4.726.776880110
3x374x53Shared6.522.958750012
3x375x47s1p_off5.2800011
3x405x47s1p_off7.8700111
3x405x50Shared4.473.066040112
4x594x60s1p_off4.9301122
4x595x39Shared8.215.188131122
4x60E2Shared5.568.633851121
4x605x39Shared13.9113.04131122
5x36E2Shared19.476.290421121
5x39E2Shared20.379.614171121
5x42E2s1p_off8.0201021
E2E2Shared42.9845.97141111
5x40E2s1p_off7.1601021
6x58E2Shared17.513.48711121
7x31E2Shared4.426.631561121
5x365x38Shared9.554.1951122
5x395x43Shared9.413.150421121
5x406x55Shared7.142.53241022
5x476x52Shared4.2912.95030112
6x446x48Shared15.036.368753121
6x447x45Shared7.254.884173122
6x486x52s1p_off7.0203112
6x487x41Shared10.373.675943112
6x487x45Shared4.5211.47663112
6x516x55Shared4.154.048650012
6x587x31Shared12.216.856561122
E3E3Shared9.078.478121122
7x31E3Shared6.353.81511122
7x337x36Shared9.265.978751022
7x35Ligs1p_off4.5200010
7x38LigShared19.816.665940010
2x64E1x47Shared3.710.9472920012
7x33NTs1p_off2.4801021
7x32E3s1p_off2.4800022
4x63E2Shared1.71.601040021
2x563x32Shared1.611.233230021
1x311x32s1p_off1.5501022
5x37E2Shared1.533.424270021
3x30E2s1p_off1.4500021
2x577x38s1p_on06.364790221
2x633x28s1p_on06.35250021
3x213x22s1p_on03.639381022
3x253x26s1p_on05.283541122
3x37Ligs1p_on06.136150010
3x406x48s1p_on04.084380111
4x59E2s1p_on04.200621121
E2Ligs1p_on03.956561110
5x476x48s1p_on07.546460111
5x47Ligs1p_on04.483650110
6x51Ligs1p_on03.398540010
7x357x36s1p_on04.467710012
1x392x57s1p_on03.228650222
2x603x32s1p_on03.743651011
E1x50E1x501s1p_on03.001251022
3x40Ligs1p_on03.182710110
5x38E2s1p_on05.572920121
5x43Ligs1p_on04.722711110
6x48Ligs1p_on03.527813110
1x327x35s1p_on04.51250021
7x34E2s1p_on02.136980021
7x32NTs1p_on01.742190021
1x397x35s1p_on01.438020221
3x303x33s1p_on01.24260021
3x334x57s1p_on01.24261112

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
s1p_off s1p1_off
s1p_on s1p3_on
s1p5_on
s1p1_on
s1p2_on
Network Difference
Value s1p_off s1p_on
Imin 3.73 2.91979
Number of Linked Nodes 220 259
Number of Specific Nodes 3 (1.36%) 42  (16.22%)
Number of Shared Nodes 217 (98.64%) 217  (83.78%)
Number of Links 240 290
Number of Specific Links 101 (42.08%) 151  (52.07%)
Number of Shared Links 139 (57.92%) 139  (47.93%)
Number of Hubs 30 34
Number of Specific Hubs 9 (30.00%) 13  (38.24%)
Number of Shared Hubs 21 (70.00%) 21  (61.76%)
Average % Shared Neighbours (Jaccard) 33.88
Average % Shared Neighbours (Otsuka) 42.86
Average % Shared Neighbours (Overlap Coefficient) 52.09
Average % Shared Cliques (k3-6) 56.45
Graphlets Similarity 0.585993
Paths Difference
Value s1p_off s1p_on
Number Of Nodes in MetaPath 50 53
Specific Nodes in MetaPath 29 (58.00%) 32  (60.38%)
Shared Nodes in MetaPath 217 (98.64%) 217  (98.64%)
Number Of Links MetaPath 54 53
Specific Links in MetaPath 48 (88.89%) 47  (88.68%)
Shared Links in MetaPath 139 (57.92%) 139  (57.92%)
Number of Shortest Paths 40265 40122
Length Of Smallest Path 3 3
Average Path Length 12.828 11.9449
Length of Longest Path 24 32
Minimum Path Strength 1.235 0.387292
Average Path Strength 8.59213 4.58143
Maximum Path Strength 64.585 37.5409
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.922702 0.910046
Maximum Path Correlation 0.99 0.987604
Minimum % Of Corr. Nodes 5.88235 3.57143
Average % Of Corr. Nodes 52.6273 44.3526
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 43.6568 44.6616
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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