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
22x42 cannabinoid_off250438
33x50 cannabinoid_off1000739
44x58 cannabinoid_off00514
55x64 cannabinoid_off00426
66x59 cannabinoid_off00423
77x30 cannabinoid_off00413
87x45 cannabinoid_off500539
97x49 cannabinoid_off2530439
107x56 cannabinoid_off00427
11Lig Shared10010014140
12NT Shared10010017105
132x40 Shared100100578
142x61 Shared7565446
152x66 Shared00444
16E1 Shared100100584
173x36 Shared5041.6667456
183x44 Shared00446
193x49 Shared5050449
20I2x53 Shared1000547
214x50 Shared5045559
22E2 Shared10010022205
235x43 Shared10080565
245x58 Shared75100669
256x30 Shared00447
266x48 Shared10090558
271x42 cannabinoid_on08.33333146
281x50 cannabinoid_on00249
292x46 cannabinoid_on046.6667349
302x50 cannabinoid_on5050359
312x51 cannabinoid_on00247
322x57 cannabinoid_on5090366
332x64 cannabinoid_on045353
342x65 cannabinoid_on00254
353x25 cannabinoid_on016.6667249
363x33 cannabinoid_on00344
374x39 cannabinoid_on00343
385x39 cannabinoid_on020347
395x50 cannabinoid_on00347
405x51 cannabinoid_on050247
415x60 cannabinoid_on050355
42I3 cannabinoid_on00353
43E3 cannabinoid_on040241
447x34 cannabinoid_on5040344
457x36 cannabinoid_on00144
467x47 cannabinoid_on00346
477x52 cannabinoid_on030149
487x53 cannabinoid_on2571.6667369
   
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
13x33 Lig cannabinoid_off10.14327.58948NoYesYesYes40
26x48 Lig cannabinoid_off79.20530YesYesYesYes80
36x51 Lig cannabinoid_off12.88530NoNoYesYes60
42x39 2x40 cannabinoid_off27.7060NoNoYesYes88
52x39 3x50 cannabinoid_off28.65740NoNoYesNo89
63x49 3x50 cannabinoid_off67.76570YesYesYesNo99
72x42 2x43 cannabinoid_off82.56310YesNoNoNo88
82x43 7x53 cannabinoid_off83.1320NoNoNoYes89
97x49 7x53 cannabinoid_off96.38110YesNoNoYes99
102x46 7x53 cannabinoid_off37.62070NoYesNoYes99
112x45 4x46 cannabinoid_off17.10122.44071NoNoNoNo98
122x41 4x46 cannabinoid_off13.46360NoNoNoNo48
132x48 4x50 cannabinoid_off10.84740NoNoYesYes79
143x36 3x40 cannabinoid_off18.70070YesYesNoNo68
153x50 6x30 cannabinoid_off43.0210YesNoYesYes97
166x30 I3 cannabinoid_off29.28230YesYesNoYes73
175x68 I3 cannabinoid_off25.36490NoNoNoYes73
183x54 5x68 cannabinoid_off19.92720NoNoNoNo97
193x51 5x60 cannabinoid_off10.92663.0249NoNoNoYes85
207x34 E2 cannabinoid_off16.00992.3219NoYesYesYes45
216x51 7x34 cannabinoid_off20.75271.3169NoNoNoYes64
222x42 6x37 cannabinoid_off12.9180YesNoNoNo88
236x26 6x30 cannabinoid_off16.69080NoNoYesYes07
246x26 6x29 cannabinoid_off15.63680NoNoNoNo05
256x29 6x32 cannabinoid_off14.3450NoNoNoNo58
266x54 7x34 cannabinoid_off34.30028.54993NoNoNoYes44
276x54 7x37 cannabinoid_off11.57957.14887NoNoNoNo44
286x54 7x30 cannabinoid_off20.16980NoNoYesNo43
29Lig NT cannabinoid_off21.50350YesYesYesYes05
306x48 7x41 cannabinoid_off10.11050.767365YesYesNoNo87
31E2 Lig Shared39.117734.4126YesYesYesYes50
321x49 7x50 Shared14.769413.5403YesNoNoNo89
331x50 7x50 Shared16.056513.6591NoYesNoNo99
341x50 2x50 Shared17.334324.5309NoYesNoYes99
352x50 7x49 Shared19.86210.2431NoYesYesNo99
367x45 7x49 Shared10099.4059YesNoYesNo99
376x48 7x45 Shared99.8648100YesYesYesNo89
381x49 7x47 Shared10.85213.5254YesNoNoYes86
391x60 I1x50 Shared16.78418.0653NoNoNoNo78
402x40 I1x50 Shared20.617519.4515YesYesNoNo88
412x42 3x49 Shared75.106147.5568YesNoYesYes89
422x46 3x42 Shared35.382273.3155NoYesNoNo98
432x45 3x42 Shared34.244372.4046NoNoNoNo98
442x45 4x50 Shared17.110569.0381NoNoYesYes99
453x40 5x50 Shared15.077219.803NoNoNoYes87
463x54 5x64 Shared18.728720.7783NoNoYesNo96
475x60 5x64 Shared13.566219.3623NoYesYesNo56
485x58 6x37 Shared11.882750.3936YesYesNoNo98
493x36 6x48 Shared11.467691.4798YesYesYesYes68
50E2 NT cannabinoid_on6.6828310.2084YesYesYesYes55
511x35 7x36 cannabinoid_on2.3644116.1444NoNoNoYes54
521x35 2x61 cannabinoid_on4.7288218.4118NoNoYesYes56
532x61 Lig cannabinoid_on010.3718YesYesYesYes60
542x64 Lig cannabinoid_on6.239817.6147NoYesYesYes30
552x64 E1 cannabinoid_on010.2876NoYesYesYes34
561x42 7x42 cannabinoid_on014.0452NoYesNoNo66
572x57 7x42 cannabinoid_on7.5968815.1988NoYesNoNo66
581x42 7x47 cannabinoid_on1.3850714.0205NoYesNoYes66
593x36 Lig cannabinoid_on9.4436477.5781YesYesYesYes60
602x37 2x40 cannabinoid_on1.3897327.9667NoNoYesYes68
612x37 2x38 cannabinoid_on036.9375NoNoNoNo65
622x38 I2x57 cannabinoid_on038.1653NoNoNoNo56
633x49 I2x57 cannabinoid_on4.052639.4376YesYesNoNo96
642x42 3x45 cannabinoid_on062.7506YesNoNoNo86
653x45 4x49 cannabinoid_on0.20519564.7606NoNoNoNo66
664x49 4x50 cannabinoid_on2.7421566.731NoNoYesYes69
672x46 7x49 cannabinoid_on089.0836NoYesYesNo99
682x46 3x43 cannabinoid_on065.6122NoYesNoNo98
695x43 Lig cannabinoid_on5.9273410.1936YesYesYesYes50
703x40 6x48 cannabinoid_on019.6049NoNoYesYes88
715x51 6x48 cannabinoid_on010.5055NoYesYesYes78
725x43 5x47 cannabinoid_on1.3197810.5401YesYesNoNo57
735x47 5x51 cannabinoid_on010.4114NoNoNoYes77
743x43 7x53 cannabinoid_on064.5527NoNoNoYes89
755x58 7x53 cannabinoid_on054.0819YesYesNoYes99
765x61 6x37 cannabinoid_on023.3427NoNoNoNo98
773x54 5x61 cannabinoid_on021.9417NoNoNoNo99
782x42 4x42 cannabinoid_on018.9168YesNoNoNo87
792x41 4x42 cannabinoid_on017.5207NoNoNoNo47
802x41 4x39 cannabinoid_on9.5275914.6987NoNoNoYes43
815x46 5x50 cannabinoid_on7.5782310.0302NoNoNoYes57
825x44 6x55 cannabinoid_on014.773NoNoNoNo46
835x43 6x55 cannabinoid_on010.9807YesYesNoNo56
845x62 6x37 cannabinoid_on029.1104NoNoNoNo68
855x62 6x33 cannabinoid_on026.3676NoNoNoNo67
866x29 6x33 cannabinoid_on023.615NoNoNoNo57
875x69 6x29 cannabinoid_on014.5601NoNoNoNo55
885x69 6x30 cannabinoid_on013.3274NoNoYesYes57
891x56 8x57 cannabinoid_on011.1936NoNoNoNo86
901x56 8x53 cannabinoid_on6.6781715.476NoNoNoNo87
911x60 8x53 cannabinoid_on8.0352616.6691NoNoNoNo77
922x57 3x36 cannabinoid_on014.0849NoYesYesYes66
932x46 2x50 cannabinoid_on017.9514NoYesNoYes99

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
2x57LigShared11.46259.134831110
2x64LigShared3.41510.39971110
3x29LigShared4.03256.019831110
3x32LigShared10.77254.563830110
3x33LigShared3.5210.08431110
3x36LigShared5.1254.537171110
E2LigShared16.82527.29771110
5x43LigShared6.44512.05931110
6x48Ligcannabinoid_off5.427501110
6x51Ligcannabinoid_off3.972501010
7x38LigShared10.28755.843670110
7x41Ligcannabinoid_off4.152501110
NTNTShared35.7210.4861111
E2NTShared25.222513.43831111
2x64NTShared18.67258.5721111
3x25NTcannabinoid_off9.702501121
E1NTShared16.557.67451121
7x28NTShared4.431.600330021
7x31NTShared6.4456.3981121
7x32NTShared5.6854.157670121
1x32NTShared6.8453.78051121
1x281x31Shared7.90254.585831022
1x387x39Shared3.5353.863330021
1x392x61cannabinoid_off4.407500021
1x397x39Shared3.96253.2330021
2x577x42Shared6.3954.892331112
2x612x65Shared14.4210.44620111
2x642x65Shared8.777.860831111
3x28E1cannabinoid_off11.0601022
3x22E2Shared12.98758.0381121
3x25E2Shared14.1512.39871121
3x26E2Shared6.9453.6791121
3x29E2Shared10.57255.751111
3x334x57Shared3.623.035671112
3x335x43Shared7.88254.143331111
3x366x48Shared16.78754.24351111
3x375x43Shared4.85255.336670021
3x405x51Shared4.23.435170122
4x59E2Shared5.9753.79651021
4x595x39cannabinoid_off4.102501021
4x60E2cannabinoid_off4.07501021
4x605x39Shared15.99510.31451021
E2E2Shared53.707545.43251111
5x36E2Shared16.907514.13821121
5x38E2Shared11.2955.467831121
5x39E2Shared13.9359.404171111
5x37E2Shared7.76256.582671121
6x58E2Shared10.252510.44651021
E2E3Shared7.237510.39321112
7x31E2Shared6.13755.2051121
6x55E2Shared6.263.466170121
7x34E2Shared14.42511.2221111
5x40E2Shared3.71757.35651021
5x365x38Shared4.54.150671122
5x435x47Shared8.3410.37971112
6x446x48cannabinoid_off3.987501021
6x447x45cannabinoid_off4.4601022
6x487x41Shared11.15.399671111
6x487x45Shared4.23756.139671112
6x517x34Shared4.3553.003171011
6x517x41cannabinoid_off4.0901011
6x547x34Shared5.286.759830021
6x58E3cannabinoid_off4.272501022
LigNTcannabinoid_off15.322501101
7x39Ligcannabinoid_off4.40500010
2x60NTcannabinoid_off5.707501011
3x28NTcannabinoid_off4.65501021
2x57NTcannabinoid_off3.4201111
1x31NTcannabinoid_off4.682501021
2x603x28Shared3.8255.68651012
1x28NTcannabinoid_off3.50501021
3x363x40cannabinoid_off3.277501112
5x42E2cannabinoid_off3.2400021
5x435x44cannabinoid_off3.212501112
1x402x61cannabinoid_off3.04500021
4x63E2Shared2.60251.825170021
3x366x52cannabinoid_off2.1301112
1x352x61Shared1.9652.523170021
2x563x32Shared1.95252.450330021
7x35NTcannabinoid_off1.442500021
2x65NTcannabinoid_on04.270670111
2x572x61cannabinoid_on07.48351111
2x573x32cannabinoid_on04.259331111
2x577x38cannabinoid_on03.763671111
2x60Ligcannabinoid_on04.60451010
2x61Ligcannabinoid_on03.712330110
2x64E1cannabinoid_on03.72251112
2x643x25cannabinoid_on03.1431112
2x65Ligcannabinoid_on03.898330110
3x25E1cannabinoid_on02.976331122
3x253x29cannabinoid_on04.9671121
3x367x41cannabinoid_on06.867671111
3x406x48cannabinoid_on03.37150121
5x395x43cannabinoid_on03.261831111
5x39Ligcannabinoid_on03.296831110
5x436x55cannabinoid_on03.334331112
5x446x52cannabinoid_on03.008330022
5x446x55cannabinoid_on05.0690022
5x475x51cannabinoid_on03.93050022
5x516x44cannabinoid_on04.344830122
5x516x48cannabinoid_on05.490330121
7x34Ligcannabinoid_on04.302671110
E1E1cannabinoid_on03.820331122
3x264x60cannabinoid_on03.7221122
2x573x36cannabinoid_on03.698671111
3x303x33cannabinoid_on02.8210021
2x533x36cannabinoid_on02.566170021
2x657x35cannabinoid_on01.17150112

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
cannabinoid_off cb2_off
cb1_off
cannabinoid_on cb2_on
cb1_on
Network Difference
Value cannabinoid_off cannabinoid_on
Imin 3.41 2.9015
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 285 303
Number of Specific Links 112 (39.30%) 130  (42.90%)
Number of Shared Links 173 (60.70%) 173  (57.10%)
Number of Hubs 26 38
Number of Specific Hubs 10 (38.46%) 22  (57.89%)
Number of Shared Hubs 16 (61.54%) 16  (42.11%)
Average % Shared Neighbours (Jaccard) 46.59
Average % Shared Neighbours (Otsuka) 54.93
Average % Shared Neighbours (Overlap Coefficient) 63.32
Average % Shared Cliques (k3-6) 77.84
Graphlets Similarity 0.542834
Paths Difference
Value cannabinoid_off cannabinoid_on
Number Of Nodes in MetaPath 49 61
Specific Nodes in MetaPath 17 (34.69%) 29  (47.54%)
Shared Nodes in MetaPath 254 (98.83%) 254  (98.83%)
Number Of Links MetaPath 49 63
Specific Links in MetaPath 30 (61.22%) 44  (69.84%)
Shared Links in MetaPath 173 (60.70%) 173  (60.70%)
Number of Shortest Paths 39860 43199
Length Of Smallest Path 3 3
Average Path Length 12.646 13.7055
Length of Longest Path 28 35
Minimum Path Strength 0.5575 0.381417
Average Path Strength 5.60234 5.23671
Maximum Path Strength 21.065 20.7179
Minimum Path Correlation 0.7 0.704
Average Path Correlation 0.907772 0.913701
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.34783 3.125
Average % Of Corr. Nodes 43.8252 45.7962
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 41.6145 42.0737
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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