Orange: nodes, hubs and links specific of amine_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of amine_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 amine_off Avg Int. Strength amine_on Avg Int. Strength amine_off Num Of Links amine_on Num Of Links ConSurf
11x35 amine_off00413
2I1x50 amine_off22.66676.71296438
32x56 amine_off16.66670438
43x50 amine_off280639
53x56 amine_off00436
6I2x57 amine_off26.666716.6667436
75x36 amine_off00425
85x39 amine_off017.1296437
96x55 amine_off1011.5278437
107x34 amine_off200413
117x39 amine_off58.666721.7593536
127x45 amine_off29.33330539
13NT amine_off16.66670620
141x60 Shared03.7037466
152x42 Shared38.190531.5278548
162x50 Shared40.666771.2654559
172x57 Shared45.333315.2778548
182x60 Shared2031.1806447
19E1x50 Shared93.333385.8333557
203x28 Shared33.666735.8796545
213x49 Shared41.19059.02778449
223x51 Shared1622.9167448
23I2x53 Shared35.666727.1296457
24E2 Shared10091.512416153
255x58 Shared072.9861459
266x44 Shared90.666750459
276x48 Shared99.285797.2222788
286x51 Shared79.285774.8611647
296x52 Shared45.285755.0463557
307x38 Shared22.666723.9583446
317x42 Shared10095.1389777
327x49 Shared030.4475449
337x53 Shared29.166781.2191459
348x50 Shared68.666754.1667568
358x54 Shared6.666670446
36Lig Shared10010012120
37I3 Shared50540
381x31 amine_on00243
391x50 amine_on16.66677.63889349
402x46 amine_on025.679249
413x46 amine_on00149
42I2x52 amine_on00145
435x47 amine_on2083.6574368
445x62 amine_on00255
456x23 amine_on00140
466x49 amine_on00246
47E3 amine_on50.11946.7361353
487x30 amine_on00244
   
Orange: nodes, hubs and links specific of amine_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of amine_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 amine_off Recurrence amine_on Recurrence amine_off Hub1? amine_on Hub1? amine_off Hub2? amine_on Hub2? ConSurf1 ConSurf2
12x53 2x56 amine_off36.2630NoNoYesNo78
22x53 7x46 amine_off34.61116.51764NoNoNoNo79
32x50 7x46 amine_off34.36998.67762YesYesNoNo99
47x49 7x53 amine_off56.66260YesYesYesYes99
57x53 8x50 amine_off46.26360YesYesYesYes98
61x53 7x53 amine_off10.80810NoNoYesYes99
78x49 I1x50 amine_off12.20830NoNoYesNo68
88x47 8x49 amine_off11.90412.17712NoNoNoNo96
92x50 3x39 amine_off1002.17712YesYesNoNo99
102x46 3x39 amine_off99.33920NoYesNoNo99
112x45 3x42 amine_off97.2947.38506NoNoNoNo98
122x45 4x46 amine_off94.42031.48798NoNoNoNo98
132x42 4x46 amine_off93.67560YesYesNoNo88
143x49 3x50 amine_off12.72220YesYesYesNo99
153x49 I2x57 amine_off12.18216.44564YesYesYesNo96
162x38 I2x57 amine_off12.25555.45137NoNoYesNo56
172x38 4x39 amine_off10.81862.9314NoNoNoNo54
182x42 3x45 amine_off18.33872.9314YesYesNoNo87
195x43 Lig amine_off13.93894.41595NoNoYesYes60
205x39 5x43 amine_off12.79563.63082YesNoNoNo76
213x40 6x44 amine_off18.4540.380567NoNoYesYes89
223x40 5x50 amine_off16.65530NoNoNoNo89
233x41 5x50 amine_off13.02645.92108NoNoNoNo69
243x49 I2x53 amine_off60.31258.24219YesYesYesYes97
253x52 I2x53 amine_off60.70062.9314NoNoYesYes57
263x48 3x52 amine_off59.55741.46741NoNoNoNo65
273x48 5x57 amine_off58.38270NoNoNoNo65
285x47 6x52 amine_off17.94019.47303NoYesYesYes87
295x47 5x48 amine_off10.68233.82967NoYesNoNo85
305x54 6x41 amine_off21.60050NoNoNoNo88
315x58 6x41 amine_off17.05397.71763YesYesNoNo98
326x40 7x49 amine_off12.87430NoNoYesYes89
336x51 7x38 amine_off10.53021.67655YesYesYesYes76
346x51 7x34 amine_off32.84910YesYesYesNo73
356x54 7x34 amine_off28.94230NoNoYesNo53
366x54 7x37 amine_off26.59291.91655NoNoNoNo55
376x50 7x37 amine_off12.2663.82967NoNoNoNo95
386x55 Lig amine_off10.26276.01707YesNoYesYes70
396x58 7x34 amine_off10.83431.2857NoNoYesNo43
403x41 4x52 amine_off11.19627.38506NoNoNoNo65
411x35 1x39 amine_off25.49160YesNoNoNo36
421x35 2x65 amine_off16.06271.15884YesNoNoNo35
431x32 2x65 amine_off12.78517.15878NoNoNoNo65
441x32 NT amine_off11.42176.02393NoNoYesNo60
453x45 4x45 amine_off16.89131.46741NoNoNoNo76
463x51 5x61 amine_off18.31776.36336YesYesNoNo89
477x33 7x37 amine_off12.28170NoNoNoNo45
486x40 7x52 amine_off11.30110NoNoNoNo88
494x41 4x45 amine_off15.360NoNoNoNo66
508x48 8x49 amine_off21.03410NoNoNoNo56
518x48 8x51 amine_off14.94052.17712NoNoNoNo59
523x54 5x61 amine_off16.79174.24452NoNoNoNo99
533x54 5x64 amine_off15.23412.12226NoNoNoNo96
545x64 5x68 amine_off11.02310NoNoNoNo67
558x51 8x55 amine_off11.87790NoNoNoNo93
566x44 7x45 amine_off10.75570YesYesYesNo99
576x48 6x51 amine_off21.5690YesYesYesYes87
586x48 6x52 amine_off11.27483.26739YesYesYesYes87
591x39 7x39 Shared30.232313.4878NoNoYesNo66
607x39 7x42 Shared32.50317.7667YesNoYesYes67
612x56 7x42 Shared28.826916.2992YesNoYesYes87
621x50 2x50 Shared22.093495.7623NoYesYesYes99
637x42 Lig Shared37.867756.3891YesYesYesYes70
646x48 Lig Shared52.2681100YesYesYesYes80
656x48 7x45 Shared74.676269.8015YesYesYesNo89
667x45 7x49 Shared85.169669.4929YesNoYesYes99
678x50 8x54 Shared11.925117.5952YesYesYesYes86
688x50 I1x50 Shared19.015222.6352YesYesYesNo88
698x47 8x50 Shared13.38312.977NoNoYesYes98
702x46 3x42 Shared98.66824.418NoYesNoNo98
712x42 3x49 Shared81.005817.4889YesYesYesYes89
721x50 2x51 Shared14.43715.1164NoYesNoNo97
731x47 2x51 Shared11.301110.8307NoNoNoNo57
742x60 3x28 Shared12.617331.0179YesYesYesYes75
753x28 E1x50 Shared16.629153.7045YesYesYesYes57
76E2x52 Lig Shared30.630931.0488NoNoYesYes40
77E2 E2x52 Shared29.492929.4065YesYesNoNo34
786x44 6x48 Shared11.259144.0909YesYesYesYes98
793x47 5x57 Shared27.452943.0109NoNoNoNo95
803x47 5x54 Shared26.005647.5606NoNoNoNo98
813x51 5x57 Shared34.354241.0258YesYesNoNo85
822x57 7x42 Shared19.791311.3793YesYesYesYes87
832x56 3x28 Shared16.167629.6705YesNoYesYes85
842x50 7x49 Shared83.50270.8163YesYesYesYes99
853x32 Lig amine_on6.7544215.7267NoNoYesYes80
861x39 2x61 amine_on3.8544212.6924NoNoNoNo66
877x54 8x50 amine_on067.4769NoNoYesYes78
881x53 7x54 amine_on069.4106NoNoNoNo97
891x53 2x47 amine_on9.7173471.3375NoNoNoNo99
901x50 2x47 amine_on073.2574NoYesNoNo99
911x57 8x50 amine_on010.8136NoNoYesYes78
921x60 I1x50 amine_on5.9101220.6261YesYesYesNo68
932x42 3x46 amine_on1.5679927.0305YesYesNoYes89
943x46 7x53 amine_on023.2523NoYesYesYes99
953x43 7x53 amine_on094.8709NoNoYesYes89
963x43 7x49 amine_on052.1651NoNoYesYes89
972x46 7x49 amine_on011.2902NoYesYesYes99
982x56 3x32 amine_on6.7334415.0444YesNoNoNo88
992x60 7x42 amine_on5.2388718.1164YesYesYesYes77
100E1x50 E1x52 amine_on5.56438.6396YesYesNoNo75
101E1x51 E1x52 amine_on026.5231NoNoNoNo35
1023x42 4x49 amine_on1.6414116.025NoNoNoNo86
1033x41 4x49 amine_on014.6021NoNoNoNo66
1045x54 6x44 amine_on048.068NoNoYesYes89
1053x47 5x58 amine_on056.1834NoNoYesYes99
1063x50 5x58 amine_on040.2613YesNoYesYes99
1073x51 3x55 amine_on8.1231328.9711YesYesNoNo86
1083x55 3x56 amine_on6.5184326.938NoNoYesNo66
1093x56 I2x52 amine_on1.6414122.8512YesNoNoYes65
1105x47 6x48 amine_on011.6502NoYesYesYes88
1115x47 6x49 amine_on015.1644NoYesNoYes86
1125x58 6x37 amine_on070.59YesYesNoNo98
1135x58 6x40 amine_on034.1928YesYesNoNo98
1146x40 7x53 amine_on034.4225NoNoYesYes89
1155x62 6x37 amine_on068.8552NoYesNoNo58
1165x62 5x66 amine_on5.56446.4395NoYesNoNo56
1175x62 6x34 amine_on014.6844NoYesNoNo57
118E2 E3 amine_on011.0124YesYesNoYes33
119I2x52 I2x56 amine_on016.6695NoYesNoNo54
1204x41 I2x56 amine_on4.0484614.5815NoNoNoNo64
1212x66 E1x51 amine_on1.8878815.3358NoNoNoNo43
1221x36 2x61 amine_on010.5085NoNoNoNo66
1235x66 6x30 amine_on014.7393NoNoNoNo68
1246x31 6x34 amine_on010.9919NoNoNoNo57
1255x66 5x70 amine_on030.3528NoNoNoNo60
1262x60 7x38 amine_on9.3869618.1609YesYesYesYes76
1277x38 Lig amine_on5.0081317.4889YesYesYesYes60
1283x50 7x53 amine_on033.9493YesNoYesYes99
1295x70 5x74 amine_on025.4706NoNoNoNo00
1305x74 I3 amine_on022.474NoNoYesYes00
1316x23 I3 amine_on1.1589513.4844NoYesYesYes00
1322x46 2x50 amine_on035.8247NoYesYesYes99
1332x46 3x43 amine_on043.2921NoYesNoNo98

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
2x563x32Shared8.130117.975941121
2x567x42Shared4.931373.887031121
2x577x39amine_off4.4185901022
2x577x42Shared6.098016.465971021
2x607x39amine_off4.7509801122
2x607x42Shared4.319034.858441121
3x327x42Shared8.10119.005391111
3x32LigShared13.626212.39111110
3x334x57Shared7.049917.032420012
3x33LigShared11.531911.16210010
3x366x48Shared4.947594.53651111
3x36LigShared8.026367.81781110
3x374x57amine_off4.1283900022
3x375x461Shared5.971565.414460021
3x406x44Shared6.202773.591170122
E2E2Shared42.005548.42321122
5x39E2Shared6.24316.395111122
E2x52LigShared3.938743.538911110
5x406x55Shared5.063113.523730021
5x43LigShared3.971043.816390010
5x461LigShared4.106863.435820010
5x476x52Shared26.354618.61090121
6x446x48Shared10.20714.975291121
6x447x45amine_off6.9923601122
6x486x51amine_off5.0917901111
6x486x52Shared3.573095.047861111
6x487x41Shared11.77878.003321112
6x487x45Shared3.752299.745381112
6x48LigShared10.32873.937691110
6x516x52Shared5.586315.348181111
6x516x55Shared6.662966.072621111
6x517x34amine_off5.1564101112
6x517x38Shared6.272345.626841111
6x51LigShared12.220712.50751110
6x52LigShared11.53625.568491110
6x557x34amine_off4.0762901112
6x55LigShared4.461753.596441110
7x387x42Shared5.39126.787351111
7x38LigShared9.117178.087081110
7x397x42Shared7.259767.716621021
7x42LigShared4.813985.780021110
E2E2x52Shared8.374535.767791121
5x395x43Shared4.184215.672461121
2x607x38Shared4.179073.550671121
5x446x52Shared2.87123.613350021
3x406x48amine_on08.039670121
5x476x44amine_on04.848970122
5x476x48amine_on03.746140121
3x29E2x52amine_on03.317220021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
amine_off 5ht_off
adrenergic_off
dopamine_off
histamine_off
muscarinic_off
amine_on 5ht_on
adrenergic_on
dopamine_on
histamine_on
muscarinic_on
trace-amine_on
Network Difference
Value amine_off amine_on
Imin 3.51218 3.33778
Number of Linked Nodes 298 313
Number of Specific Nodes 4 (1.34%) 19  (6.07%)
Number of Shared Nodes 294 (98.66%) 294  (93.93%)
Number of Links 323 334
Number of Specific Links 118 (36.53%) 129  (38.62%)
Number of Shared Links 205 (63.47%) 205  (61.38%)
Number of Hubs 37 35
Number of Specific Hubs 13 (35.14%) 11  (31.43%)
Number of Shared Hubs 24 (64.86%) 24  (68.57%)
Average % Shared Neighbours (Jaccard) 49.47
Average % Shared Neighbours (Otsuka) 57.04
Average % Shared Neighbours (Overlap Coefficient) 65.07
Average % Shared Cliques (k3-6) 61.54
Graphlets Similarity 0.59276
Paths Difference
Value amine_off amine_on
Number Of Nodes in MetaPath 82 69
Specific Nodes in MetaPath 42 (51.22%) 29  (42.03%)
Shared Nodes in MetaPath 294 (98.66%) 294  (98.66%)
Number Of Links MetaPath 84 75
Specific Links in MetaPath 58 (69.05%) 49  (65.33%)
Shared Links in MetaPath 205 (63.47%) 205  (63.47%)
Number of Shortest Paths 49697 77001
Length Of Smallest Path 3 3
Average Path Length 13.6424 13.6728
Length of Longest Path 33 28
Minimum Path Strength 0.456802 0.195727
Average Path Strength 4.9939 4.78096
Maximum Path Strength 18.9454 12.4493
Minimum Path Correlation 0.700662 0.70031
Average Path Correlation 0.900564 0.906288
Maximum Path Correlation 0.988817 0.988222
Minimum % Of Corr. Nodes 3.33333 4.16667
Average % Of Corr. Nodes 41.0779 39.4193
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 43.7246 44.4496
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 amine_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.