Orange: nodes, hubs and links specific of lpa1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of lpa1_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 lpa1_off Avg Int. Strength lpa1_on Avg Int. Strength lpa1_off Num Of Links lpa1_on Num Of Links ConSurf
1NT.K39 lpa1_off2550438
22x40 lpa1_off050439
32x45 lpa1_off750439
43x50 lpa1_off750539
54x40 lpa1_off00535
64x49 lpa1_off00537
7E2.M198 lpa1_off75100433
87x42 lpa1_off250427
97x45 lpa1_off050439
107x49 lpa1_off00439
11NT.F32 Shared00542
12NT.Y34 Shared100100756
13NT.W45 Shared00451
14NT.N46 Shared00442
151x40 Shared00444
161x50 Shared7550459
17I1x50 Shared7550568
182x38 Shared250546
192x46 Shared25100449
202x52 Shared00447
213x25 Shared100100669
223x28 Shared75100576
233x29 Shared25100444
243x33 Shared25100545
253x51 Shared25100447
26E2.Y202 Shared100100674
275x39 Shared10050547
285x43 Shared100100656
295x47 Shared100100457
305x58 Shared10050449
316x44 Shared100100449
326x45 Shared00446
336x48 Shared100100478
347x56 Shared250447
358x54 Shared500446
36Lig Shared10010014140
37NT.F25 lpa1_on00257
38NT.L41 lpa1_on00242
391x46 lpa1_on0100358
402x50 lpa1_on25100359
412x51 lpa1_on00347
422x57 lpa1_on25100377
432x60 lpa1_on050246
443x40 lpa1_on25100248
453x42 lpa1_on050348
463x43 lpa1_on00348
473x55 lpa1_on0100246
484x56 lpa1_on2550245
49E2.I189 lpa1_on00353
505x51 lpa1_on00345
515x62 lpa1_on050146
526x30 lpa1_on00247
536x58 lpa1_on25100344
546x59 lpa1_on050345
557x34 lpa1_on050344
567x53 lpa1_on25100269
   
Orange: nodes, hubs and links specific of lpa1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of lpa1_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 lpa1_off Recurrence lpa1_on Recurrence lpa1_off Hub1? lpa1_on Hub1? lpa1_off Hub2? lpa1_on Hub2? ConSurf1 ConSurf2
1E2.I189 NT.F25 lpa1_off15.93040NoYesNoYes37
2NT.F25 NT.Q23 lpa1_off17.67222.66767NoYesNoNo73
3E2.I192 NT.Q23 lpa1_off19.05790NoNoNoNo13
4E2.I192 NT.R36 lpa1_off20.78172.67238NoNoNoNo13
5E1x47 E1x48 lpa1_off11.51910.865699NoNoNoNo54
6E1.T109 E1x47 lpa1_off12.53070NoNoNoNo55
7E1.T109 Lig lpa1_off13.30281.05389NoNoYesYes50
82x57 7x38 lpa1_off17.49879.0475NoYesNoNo76
97x38 Lig lpa1_off18.47439.70618NoNoYesYes60
106x44 7x45 lpa1_off71.58680YesYesYesNo99
116x44 6x48 lpa1_off1004.89779YesYesYesYes98
126x48 Lig lpa1_off88.4120YesYesYesYes80
138x50 8x54 lpa1_off15.09857.01969NoNoYesYes86
142x40 6x33 lpa1_off41.55440YesNoNoNo97
152x43 6x33 lpa1_off66.24470NoNoNoNo87
162x43 7x53 lpa1_off66.81331.08683NoNoNoYes89
176x40 7x53 lpa1_off67.39992.90291NoNoNoYes89
186x40 7x49 lpa1_off72.87360NoNoYesNo89
192x39 3x50 lpa1_off18.35460NoNoYesNo89
203x50 6x33 lpa1_off25.33070YesNoNoNo97
212x38 I2x53 lpa1_off15.88560YesYesNoNo64
223x43 6x44 lpa1_off27.64410NoYesYesYes89
235x39 5x43 lpa1_off12.97060YesYesYesYes76
243x36 6x48 lpa1_off12.46786.83385NoNoYesYes78
253x43 6x41 lpa1_off21.85310NoYesNoNo87
263x47 5x58 lpa1_off11.77651.56908NoNoYesYes89
275x58 6x41 lpa1_off14.69440YesYesNoNo97
283x47 5x57 lpa1_off10.7560NoNoNoNo86
294x38 I2x53 lpa1_off14.32330NoNoNoNo84
304x38 4x40 lpa1_off12.76111.61378NoNoYesNo85
31E2.I189 E2.N187 lpa1_off10.66925.32358NoYesNoNo36
32E2.M198 Lig lpa1_off14.29340YesNoYesYes30
336x55 Lig lpa1_off10.07069.54151NoNoYesYes60
345x51 6x44 lpa1_off14.0428.58171NoYesYesYes59
355x51 6x45 lpa1_off11.94716.76798NoYesYesYes56
363x33 Lig lpa1_off11.28578.98868YesYesYesYes50
372x46 7x49 lpa1_off14.30240YesYesYesNo99
38NT.F32 NT.R36 Shared24.229410.6189YesYesNoNo23
39NT.F32 NT.F33 Shared37.092229.0833YesYesNoNo26
40E2.L201 NT.F33 Shared38.756231.6992NoNoNoNo16
413x25 E2.L201 Shared41.71954.7602YesYesNoNo91
423x29 Lig Shared23.53519.0995YesYesYesYes40
433x25 3x29 Shared19.719318.2997YesYesYesYes94
443x28 Lig Shared26.602625.4205YesYesYesYes60
453x25 3x28 Shared20.973222.1177YesYesYesYes96
461x50 2x50 Shared16.017216.2319YesYesNoYes99
472x50 7x49 Shared20.183236.3735NoYesYesNo99
487x45 7x49 Shared69.719372.3023YesNoYesNo99
492x40 I1x50 Shared16.032220.4239YesNoYesYes98
502x38 3x49 Shared33.219617.5916YesYesNoNo68
512x39 3x49 Shared34.910524.3054NoNoNoNo88
522x39 2x40 Shared19.42922.9763NoNoYesNo89
532x45 3x42 Shared11.525160.5331YesNoNoYes98
542x46 3x42 Shared18.950166.4495YesYesNoYes98
552x46 3x43 Shared21.760330.7064YesYesNoYes98
565x43 Lig Shared14.6974100YesYesYesYes60
575x39 E2.W186 Shared11.288710.673YesYesNoNo76
58E2.I189 E2.L201 lpa1_on021.2026NoYesNoNo31
59NT.F25 NT.F32 lpa1_on010.6048NoYesYesYes72
603x25 E2.Y202 lpa1_on3.9145319.4053YesYesYesYes94
61E2.Y202 Lig lpa1_on029.1397YesYesYesYes40
627x34 Lig lpa1_on0.77811719.9181NoYesYesYes40
637x34 E2.M198 lpa1_on0.45789218.2761NoYesYesNo43
646x58 E2.M198 lpa1_on7.0718913.2984NoYesYesNo43
651x36 NT.W45 lpa1_on010.099NoNoYesYes41
661x36 2x62 lpa1_on1.074410.9106NoNoNoNo45
672x58 2x62 lpa1_on011.6117NoNoNoNo65
681x43 2x58 lpa1_on8.4485515.5755NoNoNoNo66
691x43 2x57 lpa1_on9.4780616.3542NoNoNoYes67
702x57 7x39 lpa1_on016.0178NoYesNoNo76
711x42 7x39 lpa1_on016.173NoNoNoNo76
721x42 1x46 lpa1_on016.2413NoNoNoYes78
731x46 1x50 lpa1_on2.2445712.2798NoYesYesYes89
746x48 7x45 lpa1_on072.707YesYesYesNo89
755x43 6x48 lpa1_on066.7812YesYesYesYes68
762x42 3x49 lpa1_on042.0546NoNoNoNo88
772x42 4x46 lpa1_on044.6NoNoNoNo88
782x45 4x46 lpa1_on0.88286345.8538YesNoNoNo98
792x46 2x50 lpa1_on040.8243YesYesNoYes99
803x43 7x49 lpa1_on038.5377NoYesYesNo89
812x45 4x50 lpa1_on9.8192415.2909YesNoNoNo99
823x43 7x53 lpa1_on014.1876NoYesNoYes89
832x52 4x50 lpa1_on7.6824112.5526YesYesNoNo79
844x56 5x43 lpa1_on019.4735NoYesYesYes56
853x40 5x47 lpa1_on4.7255615.1991NoYesYesYes87
865x43 5x47 lpa1_on5.0966719.3253YesYesYesYes67
873x40 6x48 lpa1_on037.3874NoYesYesYes88
883x40 5x50 lpa1_on3.552453.3699NoYesNoNo87
895x46 5x50 lpa1_on017.0035NoNoNoNo57
904x56 5x46 lpa1_on1.7148518.1703NoYesNoNo55
913x44 5x50 lpa1_on065.4755NoNoNoNo77
923x51 5x57 lpa1_on9.8731152.6971YesYesNoNo76
935x53 5x57 lpa1_on0.21847154.1485NoNoNoNo56
943x44 5x53 lpa1_on1.2449955.5953NoNoNoNo75
953x51 3x55 lpa1_on1.8046327.0907YesYesNoYes76
963x51 5x61 lpa1_on5.9855222.6211YesYesNoNo79
973x54 3x55 lpa1_on021.2449NoNoNoYes86
983x54 5x61 lpa1_on1.1043321.2708NoNoNoNo89
995x62 6x33 lpa1_on027.9164NoYesNoNo67
1005x65 6x33 lpa1_on030.6923NoNoNoNo77
1013x54 5x65 lpa1_on039.4411NoNoNoNo87
1025x62 6x30 lpa1_on015.5496NoYesNoYes67

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.I30NT.Y34lpa1_off5.13500021
NT.K39NT.Y34Shared6.56759.5551111
NT.L41NT.Y34Shared3.815.8650021
E1x50NT.Y34Shared5.6155.620111
3x25NT.Y34lpa1_off7.237501121
E2.P200NT.Y34Shared15.6459.041021
NT.H40NT.K39lpa1_off4.257500021
7x34NT.K39Shared7.08756.0751111
2x577x38Shared4.19.9650121
2x603x28Shared5.16256.680121
2x603x32Shared5.35254.280121
2x63E1x52lpa1_off9.2700022
E1.T109LigShared6.186.8850010
3x28E1x52Shared4.865.4651112
3x253x28Shared951121
3x253x29Shared11.772514.7851121
3x25E2.P200Shared4.053.3751122
3x25E2.Y202Shared4.13.861121
3x283x29Shared4.674.6751111
3x29E2.Y202Shared8.1758.4551111
3x29LigShared12.082512.461110
3x32Liglpa1_off3.6400010
3x33E2.Y202Shared6.61258.051111
3x335x39Shared4.67.4751112
3x335x43lpa1_off5.02501111
3x33LigShared6.33755.8451110
3x365x43lpa1_off3.70501021
3x365x47lpa1_off4.117501022
3x366x48Shared11.396.831021
3x374x56Shared7.90256.7750122
3x375x43Shared6.066.670121
3x405x47Shared4.85.910122
4x60E2.Y202Shared12.867511.8251121
4x605x39Shared20.8618.7751122
6x54E2.M198Shared6.7155.650021
6x58E2.M198Shared7.977.620021
7x34E2.M198Shared8.797512.181111
E2.M198Liglpa1_off5.912501010
5x39E2.Y202Shared5.7055.9551121
5x395x43lpa1_off7.71501121
5x406x55Shared4.49756.230021
5x435x47Shared5.93253.391112
5x43LigShared6.629.811110
6x446x48Shared16.287516.0350121
6x447x45lpa1_off6.042500122
6x487x41Shared8.4253.890112
6x48Liglpa1_off4.9400110
6x51LigShared5.1652.470010
6x547x31lpa1_off4.15500022
6x55LigShared9.694.9550010
6x587x31lpa1_off4.072500022
7x34LigShared16.04514.581110
7x35LigShared5.5658.0950010
7x38LigShared13.9414.350010
LigNT.K39Shared6.15259.61101
3x28LigShared4.03755.6251110
1x357x35Shared3.4157.590021
E2.A199E2.Y202Shared3.002540021
3x303x33Shared2.51754.190021
2x563x32lpa1_off2.43500021
E1.T109E1x47lpa1_off1.8200012
7x357x36lpa1_off1.2400012
NT.N35NT.Y34lpa1_off0.2900021
LigNT.Y34lpa1_on05.4851101
2x572x60lpa1_on03.520122
2x633x28lpa1_on04.820021
3x28E1x50lpa1_on03.881111
E1x50Liglpa1_on03.7150110
3x406x44lpa1_on05.240122
3x406x48lpa1_on04.290121
4x565x43lpa1_on05.2350121
E2.Y202Liglpa1_on03.331110
5x436x48lpa1_on05.6251111
5x476x44lpa1_on06.6451122
5x476x48lpa1_on012.9951121
6x487x45lpa1_on09.040112
3x25NT.I30lpa1_on02.9351122
7x317x34lpa1_on01.990021
NT.L41NT.N35lpa1_on00.6850022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
lpa1_off 4Z36-LPA1-ONO-3080573
4Z34-LPA1-ONO-9780307
4Z35-LPA1-ONO-9910539
7YU4-LPA1-ONO-0740556
lpa1_on 7TD0-LPA1-LPA-Gi1/&β;1/&γ;2
7YU3-LPA1-ONO-0740556-Gi1/&β;1/&γ;2
Network Difference
Value lpa1_off lpa1_on
Imin 3.61 3.025
Number of Linked Nodes 287 280
Number of Specific Nodes 13 (4.53%) 6  (2.14%)
Number of Shared Nodes 274 (95.47%) 274  (97.86%)
Number of Links 307 313
Number of Specific Links 116 (37.79%) 122  (38.98%)
Number of Shared Links 191 (62.22%) 191  (61.02%)
Number of Hubs 36 46
Number of Specific Hubs 10 (27.78%) 20  (43.48%)
Number of Shared Hubs 26 (72.22%) 26  (56.52%)
Average % Shared Neighbours (Jaccard) 46.79
Average % Shared Neighbours (Otsuka) 55.93
Average % Shared Neighbours (Overlap Coefficient) 65.47
Average % Shared Cliques (k3-6) 54.84
Graphlets Similarity 0.573094
Paths Difference
Value lpa1_off lpa1_on
Number Of Nodes in MetaPath 56 61
Specific Nodes in MetaPath 24 (42.86%) 29  (47.54%)
Shared Nodes in MetaPath 274 (95.47%) 274  (95.47%)
Number Of Links MetaPath 57 65
Specific Links in MetaPath 37 (64.91%) 45  (69.23%)
Shared Links in MetaPath 191 (62.22%) 191  (62.22%)
Number of Shortest Paths 60202 83589
Length Of Smallest Path 3 3
Average Path Length 13.6745 14.5527
Length of Longest Path 32 31
Minimum Path Strength 0.3625 0.595
Average Path Strength 6.61691 6.70226
Maximum Path Strength 16.2275 16.765
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.903705 0.918331
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.57143 4
Average % Of Corr. Nodes 39.982 45.6003
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 42.283 45.4578
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 lpa1_off_on.zip<



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