Orange: nodes, hubs and links specific of cannabinoid_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cannabinoid_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 cannabinoid_off Avg Int. Strength cannabinoid_on Avg Int. Strength cannabinoid_off Num Of Links cannabinoid_on Num Of Links ConSurf
11x49 cannabinoid_off00438
21x60 cannabinoid_off00436
32x61 cannabinoid_off7575435
43x50 cannabinoid_off1000739
54x58 cannabinoid_off00515
65x64 cannabinoid_off00435
77x45 cannabinoid_off500539
87x49 cannabinoid_off250439
97x56 cannabinoid_off00427
10NT Shared10083.333316104
112x40 Shared100100589
122x42 Shared250448
13E1 Shared100100564
143x36 Shared5041.6667457
153x44 Shared00447
163x49 Shared5050449
17I2x53 Shared1000547
184x50 Shared5025549
19E2 Shared10010022194
205x43 Shared100100566
215x58 Shared75100669
226x30 Shared00447
236x48 Shared100100568
24Lig Shared10010014140
251x50 cannabinoid_on00249
262x50 cannabinoid_on5033.3333349
272x51 cannabinoid_on00247
282x57 cannabinoid_on5050367
292x64 cannabinoid_on041.6667344
302x65 cannabinoid_on033.3333254
313x33 cannabinoid_on00346
323x55 cannabinoid_on00246
334x46 cannabinoid_on00348
344x52 cannabinoid_on00345
355x39 cannabinoid_on00347
365x50 cannabinoid_on00348
375x51 cannabinoid_on050246
385x60 cannabinoid_on050354
396x37 cannabinoid_on00248
40E3 cannabinoid_on033.3333341
417x47 cannabinoid_on00347
427x52 cannabinoid_on033.3333149
437x53 cannabinoid_on2575359
448x49 cannabinoid_on5016.6667346
45I3 cannabinoid_on00353.4
   
Orange: nodes, hubs and links specific of cannabinoid_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cannabinoid_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 cannabinoid_off Recurrence cannabinoid_on Recurrence cannabinoid_off Hub1? cannabinoid_on Hub1? cannabinoid_off Hub2? cannabinoid_on Hub2? ConSurf1 ConSurf2
1Lig NT cannabinoid_off20.46180YesYesYesYes04
26x48 Lig cannabinoid_off79.5780YesYesYesYes80
32x39 3x50 cannabinoid_off31.88690NoNoYesNo89
43x49 3x50 cannabinoid_off70.64090YesYesYesNo99
52x42 2x43 cannabinoid_off85.0020YesYesNoNo88
62x43 7x53 cannabinoid_off85.53940NoNoNoYes89
77x49 7x53 cannabinoid_off97.03420YesNoNoYes99
82x41 4x46 cannabinoid_off11.17140NoNoNoYes38
92x46 7x53 cannabinoid_off36.35050NoNoNoYes99
102x45 4x50 cannabinoid_off17.63043.19253NoNoYesYes99
113x33 Lig cannabinoid_off10.50466.74591NoYesYesYes60
123x36 3x40 cannabinoid_off19.43670YesYesNoNo77
133x51 5x60 cannabinoid_off11.26092.56846NoNoNoYes84
145x60 5x64 cannabinoid_off13.97798.67332NoYesYesNo45
153x54 5x68 cannabinoid_off20.51650NoNoNoNo97
165x68 I3 cannabinoid_off26.08480NoNoNoYes73.4
176x30 I3 cannabinoid_off30.08560YesYesNoYes73.4
183x50 6x30 cannabinoid_off44.06350YesNoYesYes97
192x42 6x37 cannabinoid_off13.29620YesYesNoYes88
206x29 6x32 cannabinoid_off14.76410NoNoNoNo67
216x26 6x29 cannabinoid_off16.09280NoNoNoNo56
226x26 6x30 cannabinoid_off17.17260NoNoYesYes57
236x54 7x37 cannabinoid_off12.2961.29484NoNoNoNo45
246x54 7x34 cannabinoid_off27.44823.86754NoNoNoNo44
257x34 E2 cannabinoid_off13.05731.02314NoNoYesYes44
266x54 7x30 cannabinoid_off12.2960NoNoNoNo43
272x48 4x50 cannabinoid_off11.17640NoNoYesYes69
286x51 Lig cannabinoid_off10.8430NoNoYesYes70
296x51 7x34 cannabinoid_off17.04820NoNoNoNo74
301x49 7x50 Shared15.21218.8453YesNoNoNo89
311x50 7x50 Shared16.535620.034NoYesNoNo99
321x50 2x50 Shared17.849330.3502NoYesNoYes99
332x50 7x49 Shared20.446933.6362NoYesYesNo99
347x45 7x49 Shared10099.7708YesNoYesNo99
356x48 7x45 Shared99.5571100YesYesYesNo89
361x49 7x47 Shared11.181315.2282YesNoNoYes87
371x60 I1x50 Shared19.904524.0501YesNoNoNo69
382x40 I1x50 Shared23.785824.4407YesYesNoNo99
392x39 2x40 Shared30.936541.5581NoNoYesYes89
402x42 3x49 Shared77.866250.9361YesYesYesYes89
412x45 4x46 Shared14.983159.0108NoNoNoYes98
422x45 3x42 Shared32.837463.0142NoNoNoNo98
432x46 3x42 Shared34.021763.8124NoNoNoNo98
443x40 5x50 Shared15.674827.4549NoNoNoYes78
453x54 5x64 Shared19.287418.7221NoNoYesNo95
465x58 6x37 Shared12.236343.4642YesYesNoYes98
47E2 Lig Shared39.988138.4929YesYesYesYes40
483x36 6x48 Shared12.236390.8682YesYesYesYes78
491x31 NT cannabinoid_on034.9735NoNoYesYes24
501x31 7x36 cannabinoid_on022.3732NoNoNoNo24
511x35 7x36 cannabinoid_on2.458219.2019NoNoNoNo54
521x35 7x39 cannabinoid_on016.0221NoNoNoNo55
533x36 Lig cannabinoid_on9.4944384.9713YesYesYesYes70
542x64 Lig cannabinoid_on6.5386124.6614NoYesYesYes40
552x64 NT cannabinoid_on1.8113115.3173NoYesYesYes44
562x65 Lig cannabinoid_on016.9136NoYesYesYes40
572x65 NT cannabinoid_on015.831NoYesYesYes44
58E2 NT cannabinoid_on6.2052120.3142YesYesYesYes44
591x56 8x53 cannabinoid_on6.8819712.2564NoNoNoNo87
601x60 8x53 cannabinoid_on8.2802613.3093YesNoNoNo67
612x39 3x49 cannabinoid_on042.5472NoNoYesYes89
622x42 4x46 cannabinoid_on058.0471YesYesNoYes88
632x46 7x49 cannabinoid_on094.3536NoNoYesNo99
642x46 3x43 cannabinoid_on058.6839NoNoNoNo98
655x43 Lig cannabinoid_on7.4492414.3069YesYesYesYes60
663x40 5x51 cannabinoid_on2.7517929.238NoNoNoYes76
675x47 5x51 cannabinoid_on016.8584NoNoNoYes86
685x43 5x47 cannabinoid_on1.3734116.7862YesYesNoNo68
695x51 6x48 cannabinoid_on025.2728NoYesYesYes68
703x43 7x53 cannabinoid_on057.7712NoNoNoYes89
715x58 7x53 cannabinoid_on047.4591YesYesNoYes99
723x54 5x61 cannabinoid_on019.7156NoNoNoNo99
735x61 6x37 cannabinoid_on020.8661NoNoNoYes98
741x60 I1x51 cannabinoid_on010.2908YesNoNoNo68
75E2 E3 cannabinoid_on5.1602314.3197YesYesNoYes41
765x69 6x30 cannabinoid_on010.1167NoNoYesYes57
775x69 6x29 cannabinoid_on011.1738NoNoNoNo56
786x29 6x33 cannabinoid_on019.966NoNoNoNo68
796x33 6x37 cannabinoid_on022.1354NoNoNoYes88
806x47 7x45 cannabinoid_on4.2645310.2866NoNoYesNo89
814x56 5x46 cannabinoid_on6.5485711.0253NoNoNoNo56
825x46 5x50 cannabinoid_on7.8821714.7357NoNoNoYes68

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
NTNTShared35.728.691671111
E1NTShared16.559.905831121
E2NTShared25.222514.00421111
2x64NTShared18.67257.841671111
2x60NTcannabinoid_off5.707501011
3x25NTcannabinoid_off9.702501121
3x28NTcannabinoid_off4.65501021
LigNTcannabinoid_off14.442501101
2x57NTcannabinoid_off3.4201111
7x31NTShared6.4456.646671121
7x28NTcannabinoid_off4.4300021
7x32NTShared5.6853.991670121
1x28NTcannabinoid_off4.207501021
1x32NTShared9.642.360831121
1x392x61cannabinoid_off4.407500021
1x397x39Shared3.96253.183330021
2x577x42Shared6.3953.351112
2x57LigShared11.26758.996671110
2x603x28Shared3.8256.75751012
2x612x65Shared14.429.994170111
2x642x65Shared8.778.954171111
3x28E1cannabinoid_off11.0601022
3x22E2Shared12.987512.81021
3x25E2Shared14.1511.50921121
3x26E2Shared6.9454.498331121
3x29E2Shared10.57255.2351111
3x29LigShared3.9955.10251110
3x32LigShared10.37254.063330110
3x335x43Shared7.88254.143331111
3x33LigShared3.59.983331110
3x366x48Shared16.78754.009171111
3x375x43Shared4.85255.456670021
3x405x51Shared4.23.584170022
4x59E2Shared5.9753.98751021
4x60E2cannabinoid_off4.07501021
4x605x39Shared15.9959.385831021
E2E2Shared54.02545.29751111
5x36E2Shared16.907516.36921121
5x38E2Shared11.2955.195831121
5x39E2Shared13.9357.584171111
5x37E2Shared7.76257.358331021
6x58E2Shared10.252510.51251021
E2E3Shared9.312512.27421112
7x31E2Shared6.13754.126671121
6x55E2cannabinoid_off6.2600021
7x34E2Shared14.42510.61671111
E2LigShared16.7127.34581110
5x40E2Shared3.71756.430831021
5x365x38Shared4.53.911122
5x435x47Shared8.3410.53671112
5x43LigShared6.39759.903331110
6x447x45cannabinoid_off4.4601022
6x487x41Shared11.15.878331111
6x487x45Shared4.23754.896671112
6x48Ligcannabinoid_off5.3801110
6x517x34cannabinoid_off4.35501011
6x517x41cannabinoid_off4.0901011
6x51Ligcannabinoid_off3.917501010
6x547x34Shared5.286.71750021
6x58E3cannabinoid_off4.272501022
7x38LigShared9.88255.468330110
7x39Ligcannabinoid_off4.1400010
7x41Ligcannabinoid_off4.02501110
1x281x31Shared7.90258.504171022
3x334x57Shared3.623.091671112
4x595x39cannabinoid_off4.102501021
6x446x48cannabinoid_off3.987501021
1x387x39Shared3.5353.533330021
2x64LigShared3.41510.89251110
3x36LigShared5.1254.37251110
3x363x40cannabinoid_off3.277501112
5x42E2cannabinoid_off3.2400021
5x435x44cannabinoid_off3.212501112
1x402x61cannabinoid_off3.04500021
4x63E2Shared2.60252.740830021
3x366x52cannabinoid_off2.1301112
1x352x61cannabinoid_off1.96500021
2x563x32Shared1.95252.348330021
7x35NTcannabinoid_off1.442500021
1x31NTcannabinoid_on04.770121
2x572x61cannabinoid_on07.94751111
2x577x38cannabinoid_on03.631671111
2x60Ligcannabinoid_on04.11010
2x61Ligcannabinoid_on03.640830110
2x65Ligcannabinoid_on04.5150110
3x25E1cannabinoid_on04.186671122
3x264x60cannabinoid_on03.831671122
3x367x41cannabinoid_on07.11111
5x39Ligcannabinoid_on03.633331110
5x436x55cannabinoid_on03.876671112
5x446x55cannabinoid_on05.506670022
5x475x51cannabinoid_on04.274170022
5x516x44cannabinoid_on03.514170022
5x516x48cannabinoid_on05.908330021
7x34Ligcannabinoid_on05.0751110
2x65NTcannabinoid_on04.741670111
2x573x32cannabinoid_on04.478331111
2x64E1cannabinoid_on04.610831112
3x253x29cannabinoid_on04.966671121
5x395x43cannabinoid_on03.615831111
6x486x51cannabinoid_on03.10751111
6x486x52cannabinoid_on03.226671112
2x573x36cannabinoid_on03.483331111
3x303x33cannabinoid_on02.881670021
1x357x39cannabinoid_on02.576670021
2x533x36cannabinoid_on01.964170021
2x657x35cannabinoid_on00.9758330112
1x391x40cannabinoid_on00.750022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
cannabinoid_off cb1_off
cb2_off
cannabinoid_on cb1_on
cb2_on
Network Difference
Value cannabinoid_off cannabinoid_on
Imin 3.41 2.8875
Number of Linked Nodes 257 265
Number of Specific Nodes 3 (1.17%) 11  (4.15%)
Number of Shared Nodes 254 (98.83%) 254  (95.85%)
Number of Links 283 297
Number of Specific Links 118 (41.70%) 132  (44.44%)
Number of Shared Links 165 (58.30%) 165  (55.56%)
Number of Hubs 24 36
Number of Specific Hubs 9 (37.50%) 21  (58.33%)
Number of Shared Hubs 15 (62.50%) 15  (41.67%)
Average % Shared Neighbours (Jaccard) 43.99
Average % Shared Neighbours (Otsuka) 52.84
Average % Shared Neighbours (Overlap Coefficient) 61.50
Average % Shared Cliques (k3-6) 78.05
Graphlets Similarity 0.556247
Paths Difference
Value cannabinoid_off cannabinoid_on
Number Of Nodes in MetaPath 48 51
Specific Nodes in MetaPath 17 (35.42%) 20  (39.22%)
Shared Nodes in MetaPath 254 (98.83%) 254  (98.83%)
Number Of Links MetaPath 48 53
Specific Links in MetaPath 29 (60.42%) 34  (64.15%)
Shared Links in MetaPath 165 (58.30%) 165  (58.30%)
Number of Shortest Paths 37857 46109
Length Of Smallest Path 3 3
Average Path Length 12.5271 13.4814
Length of Longest Path 28 31
Minimum Path Strength 0.5575 0.265417
Average Path Strength 5.63056 5.39166
Maximum Path Strength 21.065 21.8575
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.905334 0.922372
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.34783 3.7037
Average % Of Corr. Nodes 44.3578 46.559
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 41.0653 43.3337
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 cannabinoid_off_on.zip<



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