Orange: nodes, hubs and links specific of d3_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of d3_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 d3_off Avg Int. Strength d3_on Avg Int. Strength d3_off Num Of Links d3_on Num Of Links ConSurf
11x53 d3_off3.666.87667419
2I1x50 d3_off6.83257.66556439
32x57 d3_off4.3427.39333528
42x62 d3_off5.8645.075526
52x66 d3_off2.644.61167425
63x34 d3_off4.935.47556437
73x35 d3_off5.1355.30556435
83x41 d3_off10.3186.22833527
93x44 d3_off3.093.71111437
103x49 d3_off7.56256.45333439
113x50 d3_off7.648575.89667729
125x39 d3_off7.80759.33889437
137x34 d3_off6.23754.45333424
147x52 d3_off2.923.07556438
15Lig Shared12.299.996338100
161x35 Shared5.0282.2545
171x39 Shared5.1985.02167547
181x46 Shared4.243.605448
191x50 Shared6.6656.40133459
20E1x50 Shared6.541676.39833669
21I2x53 Shared7.848.31083648
225x36 Shared3.975.62333446
235x58 Shared5.63757.28583449
246x44 Shared8.1326.06833549
256x48 Shared8.616677.88111668
266x51 Shared9.527.422458
276x55 Shared9.7756.98133458
287x42 Shared6.7748.17083548
297x53 Shared6.3965.54333549
308x50 Shared7.011438.98667769
318x54 Shared5.0386.65167549
321x60 d3_on6.243.58583248
332x40 d3_on5.336676.08917349
342x50 d3_on7.966677.43167349
353x51 d3_on4.393336.51667349
364x41 d3_on04.926057
375x47 d3_on10.383311.7353359
385x51 d3_on5.7357.72267256
396x30 d3_on6.685.21333368
406x52 d3_on10.618.90733357
417x39 d3_on8.093333.93583348
427x54 d3_on3.247.41333248
   
Orange: nodes, hubs and links specific of d3_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of d3_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 d3_off Recurrence d3_on Recurrence d3_off Hub1? d3_on Hub1? d3_off Hub2? d3_on Hub2? ConSurf1 ConSurf2
11x39 2x60 d3_off13.57918.55453YesYesNoNo78
21x42 2x57 d3_off76.04720NoNoYesNo78
32x57 7x42 d3_off77.51213.03281YesNoYesYes88
41x42 1x46 d3_off75.21195.27107NoNoYesYes78
51x46 7x46 d3_off71.78830YesYesNoNo89
61x50 7x50 d3_off12.11010.847181YesYesNoNo99
72x50 7x46 d3_off70.91190.849688NoYesNoNo99
81x50 2x47 d3_off12.11010.847181YesYesNoNo99
91x52 8x54 d3_off14.23349.57215NoNoYesYes79
101x53 8x54 d3_off21.71010YesNoYesYes99
117x49 7x53 d3_off35.07530NoNoYesYes99
127x53 8x50 d3_off24.39310YesYesYesYes99
136x51 Lig d3_off57.1641.47129YesYesYesYes80
146x48 6x51 d3_off54.09430YesYesYesYes88
153x43 6x44 d3_off52.9380NoNoYesYes89
162x46 3x42 d3_off50.02470NoNoNoNo99
174x42 4x46 d3_off42.59730NoNoNoNo78
182x38 3x49 d3_off38.12850NoNoYesNo69
192x38 4x42 d3_off41.05836.50676NoNoNoNo67
203x49 3x50 d3_off17.47590YesNoYesNo99
213x44 5x54 d3_off43.31334.86001YesNoNoNo78
223x41 3x44 d3_off47.79440YesNoYesNo77
233x40 3x41 d3_off52.06570NoNoYesNo97
243x40 6x44 d3_off55.09830NoNoYesYes99
252x53 3x35 d3_off15.21271.61165NoNoYesNo85
262x53 2x57 d3_off16.35260NoNoYesNo88
273x29 E2x52 d3_off36.20691.45625NoNoNoNo77
28E2x52 Lig d3_off37.22740NoNoYesYes70
292x62 E1x50 d3_off12.36520YesNoYesYes69
303x22 E2.N173 d3_off30.46660NoNoNoNo35
313x29 E2.N173 d3_off32.90264.81991NoNoNoNo75
325x43 5x461 d3_off16.1550NoNoNoNo88
333x37 5x461 d3_off14.90413.22079NoNoNoNo88
343x37 4x56 d3_off12.41050NoNoNoNo87
354x56 5x42 d3_off10.11850NoNoNoNo76
363x34 4x54 d3_off10.05276.42404YesNoNoNo76
373x51 5x60 d3_off15.02353.53159NoYesNoNo96
383x50 6x30 d3_off11.23360YesNoNoYes98
396x27 6x30 d3_off19.67331.22064NoNoNoYes58
406x26 6x27 d3_off13.26230NoNoNoNo55
416x30 I2x53 d3_off11.37350NoYesYesYes88
425x54 6x41 d3_off10.21730NoNoNoNo88
436x51 7x34 d3_off10.39830YesYesYesNo84
447x34 7x37 d3_off14.1470YesNoNoNo46
452x60 7x42 Shared14.79342.5972NoNoYesYes88
461x50 2x50 Shared27.804310.6148YesYesNoYes99
472x50 7x49 Shared43.403812.991NoYesNoNo99
486x44 6x48 Shared10054.5956YesYesYesYes98
492x46 3x43 Shared51.485545.4746NoNoNoNo98
502x45 3x42 Shared45.59312.9508NoNoNoNo99
512x45 4x46 Shared44.099317.7256NoNoNoNo98
526x52 Lig Shared56.415165.619NoYesYesYes70
536x48 6x52 Shared52.917556.8414YesYesNoYes87
543x47 5x58 Shared11.731564.9197NoNoYesYes99
553x47 5x54 Shared32.569383.6028NoNoNoNo98
563x34 4x57 Shared17.208523.6835YesNoNoNo78
573x33 4x57 Shared18.056128.2853NoNoNoNo88
583x33 Lig Shared19.142538.1532NoNoYesYes80
593x25 E1x50 Shared20.302915.4322NoNoYesYes99
603x22 3x25 Shared22.940513.9183NoNoNoNo39
615x43 Lig Shared17.282510.7251NoNoYesYes80
623x49 I2x53 Shared17.644647.1639YesNoYesYes98
633x47 5x57 Shared19.94928.6112NoNoNoNo97
643x51 5x57 Shared18.315426.4005NoYesNoNo97
657x42 Lig Shared84.750246.2115YesYesYesYes80
663x34 3x35 Shared12.908415.9135YesNoYesNo75
672x46 7x49 d3_on045.833NoNoNoNo99
683x43 7x53 d3_on045.1262NoNoYesYes89
693x46 7x53 d3_on041.0256NoNoYesYes99
702x42 3x46 d3_on3.27134100NoNoNoNo79
712x42 3x49 d3_on082.7531NoNoYesNo79
722x39 I2x53 d3_on045.9884NoNoYesYes88
732x39 2x40 d3_on042.9406NoNoNoYes89
742x40 8x50 d3_on2.6664532.3784NoYesYesYes99
758x50 8x54 d3_on8.1022112.5724YesYesYesYes99
763x49 4x41 d3_on034.2156YesNoNoYes97
774x38 4x41 d3_on019.1318NoNoNoYes87
782x38 4x38 d3_on1.6912212.9283NoNoNoNo68
792x42 4x46 d3_on019.3072NoNoNoNo78
802x52 3x35 d3_on3.0162112.7704NoNoYesNo65
812x60 3x28 d3_on036.326NoNoNoNo87
823x28 E1x50 d3_on032.055NoNoYesYes79
833x36 Lig d3_on040.3414NoNoYesYes70
843x36 6x48 d3_on1.7200240.6597NoNoYesYes78
853x42 4x49 d3_on3.4359311.3492NoNoNoNo97
865x54 6x44 d3_on086.8862NoNoYesYes89
875x47 6x52 d3_on8.9498834.8648NoYesNoYes97
885x47 6x44 d3_on032.5639NoYesYesYes99
893x50 5x58 d3_on061.1023YesNoYesYes99
903x51 5x61 d3_on020.9013NoYesNoNo99
913x52 4x41 d3_on012.9358NoNoNoYes57
923x52 3x56 d3_on011.3467NoNoNoNo56
936x55 Lig d3_on8.2009715.8082YesYesYesYes80
945x40 6x55 d3_on1.0575319.5478NoNoYesYes78
955x40 6x59 d3_on016.302NoNoNoNo76
966x59 6x60 d3_on1.3990613.0511NoNoNoNo64
975x44 6x52 d3_on010.3416NoNoNoYes87
985x61 5x65 d3_on019.7559NoNoNoNo98
995x65 6x30 d3_on017.688NoNoNoYes88
1006x48 7x45 d3_on2.8516248.357YesYesNoNo89
1018x47 8x50 d3_on1.4031811.3492NoNoYesYes99
1023x46 3x50 d3_on060.4532NoNoYesNo99
1037x45 7x49 d3_on046.8231NoNoNoNo99
1046x51 6x52 d3_on014.941YesYesNoYes87

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
3x32LigShared21.0816.47331210
3x33LigShared8.4114.180010
E2x52Ligd3_off16.1200010
5x43LigShared8.486.883330010
6x51LigShared15.4717.60671210
6x52LigShared8.66.50210
6x55LigShared12.717.861210
7x42LigShared7.4512.82671210
2x563x32Shared7.37.31021
2x567x42d3_off3.7901021
2x577x42Shared8.387.983330021
2x607x42Shared5.054.206670021
3x327x42Shared9.27.666671211
3x334x57Shared6.464.310012
3x366x48Shared9.144.786670012
3x375x461Shared6.48.526670021
4x615x39Shared14.6110.960022
5x406x55Shared4.1512.91330021
5x435x461d3_off4.8900011
5x476x52Shared18.2218.93330221
6x486x51d3_off5.0101021
6x486x52Shared5.016.681021
6x516x55Shared12.444.146671211
6x517x34d3_off5.1601212
6x557x34Shared9.85.806671212
7x347x37d3_off3.7501022
7x347x38d3_off6.2401021
3x29E2x52Shared3.077.170021
3x294x61d3_on05.960022
3x334x61d3_on04.470012
3x36Ligd3_on08.353330010
5x395x43d3_on012.770021
5x446x52d3_on05.280021
5x446x55d3_on04.180021
5x461Ligd3_on04.663330010
6x516x52d3_on07.143331211
6x517x37d3_on03.891212
6x517x38d3_on04.323331211
7x38Ligd3_on04.616670210

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
d3_off 3PBL-D3-Eticlopride
d3_on 7CMV-D3-PD128907-Gi1/β1/γ2
8IRT-D3-Rotigotine-Gi1/β1/γ2
7CMU-D3-Pramipexole-Gi1/β1/γ2
Network Difference
Value d3_off d3_on
Imin 3.38 3.45
Number of Linked Nodes 245 262
Number of Specific Nodes 6 (2.45%) 23  (8.78%)
Number of Shared Nodes 239 (97.55%) 239  (91.22%)
Number of Links 262 280
Number of Specific Links 109 (41.60%) 127  (45.36%)
Number of Shared Links 153 (58.40%) 153  (54.64%)
Number of Hubs 31 28
Number of Specific Hubs 14 (45.16%) 11  (39.29%)
Number of Shared Hubs 17 (54.84%) 17  (60.71%)
Average % Shared Neighbours (Jaccard) 41.48
Average % Shared Neighbours (Otsuka) 51.44
Average % Shared Neighbours (Overlap Coefficient) 61.96
Average % Shared Cliques (k3-6) 78.70
Graphlets Similarity 0.485191
Paths Difference
Value d3_off d3_on
Number Of Nodes in MetaPath 65 58
Specific Nodes in MetaPath 29 (44.62%) 22  (37.93%)
Shared Nodes in MetaPath 239 (97.55%) 239  (97.55%)
Number Of Links MetaPath 66 60
Specific Links in MetaPath 44 (66.67%) 38  (63.33%)
Shared Links in MetaPath 153 (58.40%) 153  (58.40%)
Number of Shortest Paths 45353 71972
Length Of Smallest Path 3 3
Average Path Length 15.5404 15.7635
Length of Longest Path 32 31
Minimum Path Strength 1.485 0.431667
Average Path Strength 6.41625 6.39213
Maximum Path Strength 19.205 18.3983
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.920305 0.92243
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.7037 3.44828
Average % Of Corr. Nodes 44.1604 40.0543
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 40.6126 34.8884
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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