Orange: nodes, hubs and links specific of adrenergic_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of adrenergic_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 adrenergic_off Avg Int. Strength adrenergic_on Avg Int. Strength adrenergic_off Num Of Links adrenergic_on Num Of Links ConSurf
13x37 adrenergic_off00436
23x41 adrenergic_off250436
33x50 adrenergic_off250539
4I2x57 adrenergic_off12.50436
54x50 adrenergic_off00439
66x31 adrenergic_off00425
76x41 adrenergic_off00438
8I3 adrenergic_off00620
91x50 Shared00449
101x60 Shared00546
112x42 Shared46.42860658
12E1x50 Shared62.568.75567
13E1x52 Shared42.85710445
143x28 Shared43.7522.9167456
153x49 Shared58.928612.5649
16I2x53 Shared500667
17E2 Shared1007514143
185x47 Shared2597.9167457
195x58 Shared097.9167569
206x44 Shared7577.0833559
216x48 Shared96.4286100568
226x51 Shared96.428675567
236x52 Shared83.928695.8333557
24E3 Shared74.107133.3333664
257x39 Shared00456
267x42 Shared87.597.9167667
277x53 Shared5070.8333549
288x50 Shared5062.5468
298x54 Shared00447
30Lig Shared10010014110
311x31 adrenergic_on00243
322x40 adrenergic_on033.3333349
332x46 adrenergic_on029.1667149
342x50 adrenergic_on6.2566.6667359
353x51 adrenergic_on00348
363x52 adrenergic_on00245
37I2x52 adrenergic_on00245
385x50 adrenergic_on00349
395x62 adrenergic_on00246
405x69 adrenergic_on00145
416x49 adrenergic_on08.33333247
426x55 adrenergic_on00346
437x37 adrenergic_on00355
447x49 adrenergic_on075349
   
Orange: nodes, hubs and links specific of adrenergic_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of adrenergic_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 adrenergic_off Recurrence adrenergic_on Recurrence adrenergic_off Hub1? adrenergic_on Hub1? adrenergic_off Hub2? adrenergic_on Hub2? ConSurf1 ConSurf2
12x53 2x56 adrenergic_off1000NoNoNoNo87
22x53 7x46 adrenergic_off93.35178.35008NoNoNoNo89
32x50 7x46 adrenergic_off83.85289.52271NoYesNoNo99
47x49 7x53 adrenergic_off44.03820NoYesYesYes99
57x53 8x50 adrenergic_off35.39080YesYesYesYes98
68x50 8x54 adrenergic_off13.01660.340189YesYesYesYes87
78x50 I1x50 adrenergic_off13.4155.39147YesYesNoNo88
81x60 I1x50 adrenergic_off12.20834.53327YesYesNoNo68
93x33 Lig adrenergic_off38.15264.67759NoNoYesYes60
103x33 4x57 adrenergic_off37.45133.51528NoNoNoNo67
113x34 4x57 adrenergic_off31.08762.34782NoNoNoNo57
123x34 4x50 adrenergic_off29.5940NoNoYesNo59
132x45 4x50 adrenergic_off33.20283.25241NoNoYesNo99
142x42 4x42 adrenergic_off10.30031.07211YesYesNoNo87
157x38 7x42 adrenergic_off10.97421.42261NoNoYesYes67
166x51 7x38 adrenergic_off10.92871.79888YesYesNoNo76
176x48 6x51 adrenergic_off30.68010YesYesYesYes87
186x44 6x48 adrenergic_off68.73255.87083YesYesYesYes98
193x43 6x44 adrenergic_off54.8690NoNoYesYes89
206x51 Lig adrenergic_off28.19382.96634YesYesYesYes70
213x28 Lig adrenergic_off13.83390YesYesYesYes60
22E2 Lig adrenergic_off23.20070YesYesYesYes30
233x40 6x44 adrenergic_off12.53160.275759NoNoYesYes89
243x40 5x50 adrenergic_off10.8088.40936NoNoNoYes89
253x43 6x41 adrenergic_off51.03480NoNoYesNo88
265x58 6x41 adrenergic_off41.3473.62868YesYesYesNo98
275x58 5x61 adrenergic_off20.26147.93516YesYesNoNo99
283x51 5x61 adrenergic_off18.25550NoYesNoNo89
296x40 7x49 adrenergic_off20.12480NoNoNoYes89
306x40 7x52 adrenergic_off19.43720NoNoNoNo88
316x51 7x34 adrenergic_off11.84850.719035YesYesNoNo74
326x54 7x34 adrenergic_off17.42450NoNoNoNo44
336x55 Lig adrenergic_off12.78436.85016NoYesYesYes60
345x58 I3 adrenergic_off14.0980YesYesYesNo90
357x39 7x42 Shared11.138217.3909YesYesYesYes67
362x56 7x42 Shared56.337519.3186NoNoYesYes77
371x50 2x50 Shared19.368944.3405YesYesNoYes99
382x50 7x49 Shared65.620142.472NoYesNoYes99
397x42 Lig Shared55.467844.2219YesYesYesYes70
402x45 4x46 Shared31.927837.0677NoNoNoNo97
412x42 4x46 Shared31.283434.3539YesYesNoNo87
422x42 3x49 Shared20.054230.6221YesYesYesYes89
433x36 Lig Shared21.108444.3018NoNoYesYes60
443x36 6x48 Shared20.61244.4127NoNoYesYes68
456x52 Lig Shared27.437948.2372YesYesYesYes70
466x48 6x52 Shared21.69855.3167YesYesYesYes87
473x49 I2x53 Shared14.1821.9963YesYesYesYes97
482x56 3x32 Shared44.976217.7929NoNoNoNo77
493x32 Lig Shared45.40218.6279NoNoYesYes70
501x39 7x39 adrenergic_on6.8577712.6153NoNoYesYes66
512x57 7x42 adrenergic_on3.9138511.3628NoNoYesYes77
526x48 7x45 adrenergic_on0100YesYesNoNo89
537x45 7x49 adrenergic_on098.9562NoNoNoYes99
541x50 2x47 adrenergic_on4.9019837.2507YesYesNoNo98
551x53 2x47 adrenergic_on033.0859NoNoNoNo98
561x53 7x54 adrenergic_on032.0319NoNoNoNo96
577x54 8x50 adrenergic_on023.5374NoNoYesYes68
582x46 7x49 adrenergic_on031.4494NoYesNoYes99
592x46 3x42 adrenergic_on041.4875NoYesNoNo98
602x45 3x42 adrenergic_on0.84697540.6139NoNoNoNo98
618x47 8x50 adrenergic_on8.1487212.2648NoNoYesYes88
623x43 7x49 adrenergic_on036.1399NoNoNoYes89
632x56 3x28 adrenergic_on035.2636NoNoYesYes76
642x59 3x28 adrenergic_on5.8491410.6824NoNoYesYes46
653x28 E1x50 adrenergic_on6.5959318.7774YesYesYesYes67
66E2x52 Lig adrenergic_on1.4935925.1637NoNoYesYes40
67E2 E2x52 adrenergic_on0.1070124.3518YesYesNoNo34
683x43 7x53 adrenergic_on045.8971NoNoYesYes89
693x50 7x53 adrenergic_on035.8126YesNoYesYes99
703x50 5x58 adrenergic_on034.9363YesNoYesYes99
713x52 I2x53 adrenergic_on3.3765215.6332NoYesYesYes57
725x58 6x37 adrenergic_on021.4963YesYesNoNo98
735x62 6x37 adrenergic_on020.334NoYesNoNo68
745x62 5x66 adrenergic_on2.0445816.1512NoYesNoNo65
755x66 6x30 adrenergic_on015.0018NoNoNoNo57
765x69 6x30 adrenergic_on014.0173NoYesNoNo57
771x35 1x39 adrenergic_on5.3892210.6464NoNoNoNo46
782x46 2x50 adrenergic_on011.5561NoYesNoYes99
792x46 3x43 adrenergic_on2.0445810.8139NoYesNoNo98

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
2x563x32Shared6.191968.99751121
2x567x42Shared3.833754.083751121
2x577x42Shared4.894025.179370021
2x593x28Shared7.779027.276460021
2x603x28Shared4.961793.983130021
E1x49E2Shared4.443482.696461121
3x28E1x50Shared8.125547.417921012
3x22E2Shared7.140714.052080021
3x264x64adrenergic_off5.0344601022
3x26E2Shared6.830543.029791021
3x28Ligadrenergic_off6.3850901010
3x29E2x52adrenergic_off4.7476800021
3x327x42Shared8.517149.170831111
3x32LigShared19.103113.3691110
3x334x57Shared5.235893.937081012
3x33LigShared8.759829.711871010
3x366x48Shared8.512056.946671012
3x36LigShared4.11337.774581010
3x374x57adrenergic_off4.1844600022
3x375x461Shared8.222687.559580021
4x63E2Shared6.62752.420420021
4x64E2Shared11.26745.087711021
E2E2Shared69.711844.83171111
E2E2x52Shared7.650625.746671111
5x39E2Shared9.745457.896461121
5x36E2Shared5.553133.434371121
E2E2x51Shared8.826797.21251112
E2x52LigShared9.0028610.0851110
E2Ligadrenergic_off4.0033901110
5x395x43Shared12.64958.081041121
5x43LigShared4.578936.0851010
5x476x52Shared27.356518.17250121
6x486x51adrenergic_off5.7359801121
6x486x52Shared5.33256.82751121
6x516x52Shared8.69927.279581111
6x517x34Shared5.857864.295621112
6x517x38Shared9.4557111.70771111
6x51LigShared10.436211.54651110
6x52LigShared8.973575.981041110
6x557x34Shared3.925713.771041112
6x55LigShared5.729643.661881110
E3E3Shared5.167146.37754122
7x387x42Shared8.609738.470421111
7x38LigShared14.47114.72131110
7x397x42Shared9.230715.206250021
7x42LigShared4.568576.623541110
5x406x55Shared4.348393.543750021
5x446x52Shared3.491613.876040021
4x605x39Shared3.077867.330210122
4x61E2Shared3.037953.975421121
E2NTadrenergic_off2.4337501112
2x563x28adrenergic_on04.258121121
4x60E2adrenergic_on03.845830121
5x461Ligadrenergic_on04.117710010
6x517x37adrenergic_on03.451461112
6x516x55adrenergic_on05.666251111
E2E3adrenergic_on02.5151112
3x283x29adrenergic_on01.666461012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
adrenergic_off beta_off
alpha_off
adrenergic_on beta_on
alpha_on
Network Difference
Value adrenergic_off adrenergic_on
Imin 3.6525 3.38188
Number of Linked Nodes 275 271
Number of Specific Nodes 6 (2.18%) 2  (0.74%)
Number of Shared Nodes 269 (97.82%) 269  (99.26%)
Number of Links 296 294
Number of Specific Links 105 (35.47%) 103  (35.03%)
Number of Shared Links 191 (64.53%) 191  (64.97%)
Number of Hubs 30 36
Number of Specific Hubs 8 (26.67%) 14  (38.89%)
Number of Shared Hubs 22 (73.33%) 22  (61.11%)
Average % Shared Neighbours (Jaccard) 53.22
Average % Shared Neighbours (Otsuka) 61.05
Average % Shared Neighbours (Overlap Coefficient) 69.32
Average % Shared Cliques (k3-6) 81.52
Graphlets Similarity 0.579545
Paths Difference
Value adrenergic_off adrenergic_on
Number Of Nodes in MetaPath 46 42
Specific Nodes in MetaPath 24 (52.17%) 20  (47.62%)
Shared Nodes in MetaPath 269 (97.82%) 269  (97.82%)
Number Of Links MetaPath 49 45
Specific Links in MetaPath 34 (69.39%) 30  (66.67%)
Shared Links in MetaPath 191 (64.53%) 191  (64.53%)
Number of Shortest Paths 76262 62972
Length Of Smallest Path 3 3
Average Path Length 13.891 13.7595
Length of Longest Path 29 30
Minimum Path Strength 0.602679 0.316458
Average Path Strength 5.90299 5.5321
Maximum Path Strength 18.4777 12.9583
Minimum Path Correlation 0.703214 0.700208
Average Path Correlation 0.91332 0.888712
Maximum Path Correlation 0.988125 0.986042
Minimum % Of Corr. Nodes 3.7037 3.7037
Average % Of Corr. Nodes 44.3252 38.9969
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 36.5726 46.4367
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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