Orange: nodes, hubs and links specific of dopamine_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of dopamine_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 dopamine_off Avg Int. Strength dopamine_on Avg Int. Strength dopamine_off Num Of Links dopamine_on Num Of Links ConSurf
13x37 dopamine_off33.33330428
23x49 dopamine_off66.666725739
33x50 dopamine_off1000639
44x50 dopamine_off033.3333439
56x55 dopamine_off33.333325438
67x30 dopamine_off00425
77x39 dopamine_off22.222269.4444538
88x49 dopamine_off00417
91x46 Shared00448
101x50 Shared88.888941.6667449
11I1x50 Shared66.666725449
122x42 Shared33.333350547
132x60 Shared33.333338.8889448
14E1x50 Shared10094.4444559
15E2 Shared1001007104
165x39 Shared33.333372.2222457
175x47 Shared33.333397.2222459
185x58 Shared66.666791.6667559
196x44 Shared10086.1111569
206x48 Shared100100768
216x51 Shared10079.1667558
226x52 Shared55.555687.5557
23E3 Shared88.888961.1111744
247x42 Shared100100478
257x53 Shared10091.6667459
268x50 Shared88.888969.4444669
27Lig Shared10010013110
281x60 dopamine_on00348
292x38 dopamine_on00346
302x46 dopamine_on063.8889349
312x50 dopamine_on072.2222359
32E1x52 dopamine_on033.3333346
333x43 dopamine_on016.6667248
343x51 dopamine_on016.6667349
35I2x52 dopamine_on00145
36I2x53 dopamine_on33.333391.6667368
374x61 dopamine_on22.22220247
385x51 dopamine_on016.6667356
395x62 dopamine_on08.33333246
406x30 dopamine_on00348
417x49 dopamine_on036.1111249
428x54 dopamine_on33.33330349
   
Orange: nodes, hubs and links specific of dopamine_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of dopamine_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 dopamine_off Recurrence dopamine_on Recurrence dopamine_off Hub1? dopamine_on Hub1? dopamine_off Hub2? dopamine_on Hub2? ConSurf1 ConSurf2
12x60 7x39 dopamine_off17.83190.524969YesYesYesNo88
22x60 Lig dopamine_off20.67230YesYesYesYes80
36x48 Lig dopamine_off74.09860YesYesYesYes80
43x39 6x44 dopamine_off68.51140NoNoYesYes99
52x50 3x39 dopamine_off53.41421.17567NoYesNoNo99
61x50 2x50 dopamine_off48.91356.99885YesYesNoYes99
71x50 7x50 dopamine_off45.45452.34913YesYesNoNo99
81x53 7x50 dopamine_off43.28150NoNoNoNo99
91x53 7x53 dopamine_off42.49610NoNoYesYes99
107x53 8x50 dopamine_off34.56910YesYesYesYes99
118x47 8x50 dopamine_off10.42971.63005NoNoYesYes99
122x46 3x39 dopamine_off56.42140NoYesNoNo99
133x49 3x50 dopamine_off36.15610YesNoYesNo99
142x42 3x46 dopamine_off25.77930YesYesNoNo79
153x33 Lig dopamine_off13.78296.22022NoNoYesYes80
163x33 4x57 dopamine_off12.5584.86148NoNoNoNo88
173x34 4x57 dopamine_off11.19483.24466NoNoNoNo78
183x28 Lig dopamine_off18.18590NoNoYesYes70
192x59 3x28 dopamine_off17.22963.27113NoNoNoNo77
202x59 3x24 dopamine_off16.23671.64108NoNoNoNo74
214x60 5x39 dopamine_off29.77138.08188NoNoYesYes77
224x60 E2 dopamine_off28.53830NoNoYesYes74
235x39 5x42 dopamine_off10.87330YesYesNoNo76
243x37 4x56 dopamine_off10.46230YesNoNoNo87
253x41 4x52 dopamine_off11.74011.63005NoNoNoNo75
263x46 5x58 dopamine_off22.61330NoNoYesYes99
273x50 6x34 dopamine_off23.01210YesNoNoNo98
285x62 6x34 dopamine_off21.82391.40286NoYesNoNo68
295x66 6x31 dopamine_off12.92830NoNoNoNo67
305x36 E2 dopamine_off18.69460.0551438NoNoYesYes64
315x36 5x37 dopamine_off15.43090NoNoNoNo64
325x37 E3 dopamine_off13.77880NoNoYesYes44
338x48 8x49 dopamine_off13.50210NoNoYesNo57
348x48 8x52 dopamine_off11.45521.63005NoNoNoNo56
353x49 4x41 dopamine_off10.49890YesNoNoNo97
364x52 4x55 dopamine_off11.28840NoNoNoNo55
374x46 4x47 dopamine_off12.07370NoNoNoNo84
384x51 4x55 dopamine_off10.84073.24466NoNoNoNo55
393x37 3x41 dopamine_off11.39010YesNoNoNo87
404x47 4x51 dopamine_off10.9141.62343NoNoNoNo45
416x44 6x48 Shared10061.1324YesYesYesYes98
428x50 I1x50 Shared15.467622.4325YesYesYesYes99
432x46 3x42 Shared90.9783100NoYesNoNo99
442x45 3x42 Shared89.033189.2889NoNoNoNo99
452x45 4x46 Shared84.455183.8274NoNoNoNo98
462x42 4x46 Shared92.353782.451YesYesNoNo78
472x42 3x49 Shared69.634677.005YesYesYesNo79
483x43 6x44 Shared36.237567.4784NoYesYesYes89
492x46 3x43 Shared36.046271.0341NoYesNoYes98
505x43 Lig Shared33.767432.1974NoNoYesYes80
515x39 5x43 Shared32.98230.8254YesYesNoNo78
523x47 5x58 Shared10.055324.3714NoNoYesYes99
535x62 5x66 Shared20.631630.4107NoYesNoNo66
545x47 6x52 Shared26.263537.0081YesYesYesYes97
551x39 7x39 Shared11.243616.0138NoNoYesNo78
563x49 I2x53 Shared13.127728.4763YesNoNoYes98
576x48 6x52 Shared20.847257.5481YesYesYesYes87
587x39 7x42 dopamine_on017.0791YesNoYesYes88
592x57 7x42 dopamine_on6.7103417.635NoNoYesYes88
601x46 2x57 dopamine_on013.1264YesYesNoNo88
617x42 Lig dopamine_on7.5445666.9975YesYesYesYes80
623x36 Lig dopamine_on0.32554744.6466NoNoYesYes70
633x36 6x48 dopamine_on1.0743145.0084NoNoYesYes78
646x48 7x45 dopamine_on1.3998542.0328YesYesNoNo89
657x45 7x49 dopamine_on041.2851NoNoNoYes99
662x50 7x49 dopamine_on013.0603NoYesNoYes99
676x52 Lig dopamine_on7.4916673.4758YesYesYesYes70
682x39 3x49 dopamine_on1.52647.4501NoNoYesNo89
692x39 2x40 dopamine_on047.309NoNoNoNo89
702x40 8x50 dopamine_on1.8881743.182NoNoYesYes99
718x50 8x54 dopamine_on3.2961714.1256YesYesNoYes99
725x47 6x44 dopamine_on036.3817YesYesYesYes99
732x46 7x49 dopamine_on032.0297NoYesNoYes99
742x38 I2x53 dopamine_on021.2524NoYesNoYes68
752x38 4x42 dopamine_on0.052901412.9323NoYesNoNo67
762x41 4x42 dopamine_on4.9605311.331NoNoNoNo57
771x60 I1x50 dopamine_on6.1935417.7078NoYesYesYes89
782x50 7x46 dopamine_on6.6126811.578NoYesNoNo99
792x53 7x46 dopamine_on010.4398NoNoNoNo89
802x60 3x28 dopamine_on022.084YesYesNoNo87
812x60 2x64 dopamine_on2.388710.7178YesYesNoNo86
823x28 E1x50 dopamine_on017.5909NoNoYesYes79
835x39 E2 dopamine_on011.053YesYesYesYes74
843x42 4x49 dopamine_on1.6318111.331NoNoNoNo97
853x43 7x53 dopamine_on027.991NoYesYesYes89
865x54 6x44 dopamine_on042.2115NoNoYesYes89
873x47 5x54 dopamine_on5.0622641.3292NoNoNoNo98
883x47 5x57 dopamine_on3.3816220.2422NoNoNoNo97
893x51 5x57 dopamine_on019.1658NoYesNoNo97
903x51 3x55 dopamine_on1.6928512.6147NoYesNoNo97
913x55 3x56 dopamine_on011.5074NoNoNoNo76
926x55 Lig dopamine_on3.1903610.8788YesNoYesYes80
935x40 6x55 dopamine_on1.9003814.9131NoNoYesNo78
945x40 6x59 dopamine_on012.4382NoNoNoNo76
955x58 6x37 dopamine_on036.6596YesYesNoNo98
966x40 7x53 dopamine_on012.4074NoNoYesYes89
975x62 6x37 dopamine_on035.3406NoYesNoNo68
985x66 6x30 dopamine_on027.7859NoNoNoYes68
995x69 6x30 dopamine_on017.8401NoNoNoYes58
1006x51 7x34 dopamine_on015.941YesYesNoNo84
1016x58 7x34 dopamine_on015.0388NoNoNoNo54
1026x58 E3 dopamine_on1.7131913.8874NoNoYesYes54
1036x54 E3 dopamine_on010.678NoNoYesYes64
1041x60 8x56 dopamine_on010.131NoYesNoNo86
1051x39 2x61 dopamine_on5.6930111.5008NoNoNoNo76
1065x69 5x73 dopamine_on011.514NoNoNoNo50
1075x73 5x77 dopamine_on010.1244NoNoNoNo00
1082x60 7x42 dopamine_on0.51680633.062YesYesYesYes88
1096x51 6x52 dopamine_on0.41507319.6158YesYesYesYes87

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
2x563x32Shared5.677786.894720121
2x577x42Shared6.861117.610830021
2x593x28Shared12.45337.410830021
2x607x42Shared7.008895.554171111
2x60Ligdopamine_off4.5701110
3x28Ligdopamine_off4.0722200010
3x29E2x52dopamine_off3.7600021
3x327x42Shared8.177789.08931111
3x32LigShared19.526713.7551110
3x334x57Shared4.002224.911810012
3x33LigShared7.9477811.72620010
3x366x48Shared6.534.183061011
3x36LigShared6.562226.326811010
3x374x56dopamine_off4.3788900022
3x375x461Shared8.526678.614720021
3x406x44Shared7.583.804030122
E2x52LigShared8.932225.109720010
5x395x43Shared5.0722210.47290221
5x406x55Shared5.225566.040280021
5x43LigShared5.185566.991940010
5x476x52Shared24.173322.83260121
6x446x48Shared14.25566.208191121
6x447x45dopamine_off8.1901122
6x486x51dopamine_off7.2355601111
6x486x52Shared4.786676.389721111
6x487x41Shared11.265.822641112
6x487x45Shared4.2688910.02881112
6x48Ligdopamine_off7.2333301110
6x516x52Shared6.911118.024031111
6x516x55Shared15.08337.479721111
6x517x38Shared4.033334.28751111
6x51LigShared12.441114.42641110
6x52LigShared7.988897.524721110
6x557x34dopamine_off8.0611101112
6x55LigShared5.286675.542081110
7x38LigShared4.065566.534311110
7x42LigShared6.418.082921110
2x607x39Shared5.977783.892081112
2x647x39dopamine_off5.9344401022
2x602x64Shared3.496673.419171112
5x446x52Shared3.226675.759720021
2x567x42dopamine_on04.094030121
2x603x28dopamine_on04.309311111
3x28E1x50dopamine_on05.952640012
3x406x48dopamine_on011.94030121
5x461Ligdopamine_on04.354440010
5x476x44dopamine_on04.467220122
6x517x34dopamine_on03.835971112
7x387x42dopamine_on05.480141111
7x397x42dopamine_on06.374031121
4x565x461dopamine_on03.184586021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
dopamine_off d3_off
d2_off
d4_off
dopamine_on d3_on
d2_on
d5_on
d1_on
Network Difference
Value dopamine_off dopamine_on
Imin 3.42 3.64556
Number of Linked Nodes 264 286
Number of Specific Nodes 3 (1.14%) 25  (8.74%)
Number of Shared Nodes 261 (98.86%) 261  (91.26%)
Number of Links 284 308
Number of Specific Links 117 (41.20%) 141  (45.78%)
Number of Shared Links 167 (58.80%) 167  (54.22%)
Number of Hubs 27 34
Number of Specific Hubs 8 (29.63%) 15  (44.12%)
Number of Shared Hubs 19 (70.37%) 19  (55.88%)
Average % Shared Neighbours (Jaccard) 41.93
Average % Shared Neighbours (Otsuka) 50.55
Average % Shared Neighbours (Overlap Coefficient) 59.19
Average % Shared Cliques (k3-6) 54.46
Graphlets Similarity 0.571848
Paths Difference
Value dopamine_off dopamine_on
Number Of Nodes in MetaPath 58 67
Specific Nodes in MetaPath 29 (50.00%) 38  (56.72%)
Shared Nodes in MetaPath 261 (98.86%) 261  (98.86%)
Number Of Links MetaPath 57 69
Specific Links in MetaPath 40 (70.18%) 52  (75.36%)
Shared Links in MetaPath 167 (58.80%) 167  (58.80%)
Number of Shortest Paths 45346 89894
Length Of Smallest Path 3 3
Average Path Length 14.1694 15.2248
Length of Longest Path 29 30
Minimum Path Strength 0.53 0.223056
Average Path Strength 5.6996 5.82721
Maximum Path Strength 16.3878 16.8033
Minimum Path Correlation 0.7 0.70125
Average Path Correlation 0.909679 0.913071
Maximum Path Correlation 0.99 0.990278
Minimum % Of Corr. Nodes 4 3.84615
Average % Of Corr. Nodes 40.4802 37.4311
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 36.014 45.7222
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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