Orange: nodes, hubs and links specific of cb1_off_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cb1_off 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 cb1_off_allo Avg Int. Strength cb1_off Avg Int. Strength cb1_off_allo Num Of Links cb1_off Num Of Links ConSurf
11x35 cb1_off_allo4.5663.43515
21x50 cb1_off_allo5.5811.5625429
3I1x50 cb1_off_allo4.2956.76333439
42x43 cb1_off_allo6.275.20667438
52x50 cb1_off_allo8.05759.00167439
62x64 cb1_off_allo6.272511.1983434
72x65 cb1_off_allo8.7813.575424
83x52 cb1_off_allo4.5854.71435
93x53 cb1_off_allo7.4757.41833438
104x39 cb1_off_allo4.7851.885431
114x46 cb1_off_allo9.2187.66538
124x49 cb1_off_allo5.02755.37667436
134x59 cb1_off_allo3.3054.2475425
14E2.D266 cb1_off_allo4.115.0675424
155x39 cb1_off_allo9.03511.955437
166x41 cb1_off_allo4.2954.42667438
17E3.M371 cb1_off_allo3.14255.2925421
18Alloh34 cb1_off_allo11.2750600
191x46 Shared3.7445.165547
202x40 Shared7.2847.907559
212x57 Shared7.276.60583567
222x61 Shared9.07756.724455
233x36 Shared12.3159.545467
243x49 Shared7.16757.195449
253x50 Shared7.9547.89417569
26I2x53 Shared7.3485.42083567
27I2x57 Shared5.4054.865446
284x50 Shared8.8864.85583569
29E2.W255 Shared8.038.1575545
30E2.E258 Shared6.356.317451
31E2.F268 Shared10.7267.50375545
32E2.H270 Shared6.298.532453
335x43 Shared5.5246.05566
346x48 Shared13.517514.3687448
356x58 Shared4.765.0275544
367x34 Shared6.8226.945544
377x45 Shared5.846675.73659
387x53 Shared6.01756.11125449
39Lig Shared8.377868.4408314120
40NT.N101 cb1_off2.4857.38375246
41NT.F102 cb1_off06.184055
42NT.M103 cb1_off3.1256.625254
43NT.F108 cb1_off6.093.008255
44NT.M109 cb1_off6.526674.36125343
451x28 cb1_off10.27675.454356
461x39 cb1_off5.3953.51625247
471x49 cb1_off9.336.904258
481x56 cb1_off2.981.94248
492x37 cb1_off7.26.88145
502x42 cb1_off7.983336.44625348
512x46 cb1_off3.903334.70375349
523x25 cb1_off7.447.275349
533x28 cb1_off4.876676.994356
543x56 cb1_off3.8053.63875245
55E2.I267 cb1_off11.967.00375344
565x36 cb1_off6.385.68875345
575x58 cb1_off8.235.83167369
585x64 cb1_off5.283336.505345
596x31 cb1_off4.986672.36625345
606x51 cb1_off3.234.94875247
616x59 cb1_off4.833.78875344
627x30 cb1_off7.874.3325243
637x47 cb1_off3.446674.071357
647x49 cb1_off6.516676.98375349
   
Orange: nodes, hubs and links specific of cb1_off_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cb1_off 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 cb1_off_allo Recurrence cb1_off Recurrence cb1_off_allo Hub1? cb1_off Hub1? cb1_off_allo Hub2? cb1_off Hub2? ConSurf1 ConSurf2
13x25 Lig cb1_off_allo39.08320NoYesYesYes90
23x25 E2.P269 cb1_off_allo38.4321.91588NoYesNoNo93
3E2.H270 E2.P269 cb1_off_allo33.38730.0271542YesYesNoNo33
41x31 NT.L111 cb1_off_allo16.43959.45269NoNoNoNo24
52x65 NT.L111 cb1_off_allo17.0590YesNoNoNo44
62x65 Lig cb1_off_allo17.17020YesNoYesYes40
71x28 1x31 cb1_off_allo15.92817.54586NoYesNoNo62
81x28 1x29 cb1_off_allo13.71071.00169NoYesNoNo62
91x29 1x32 cb1_off_allo12.59250NoNoNoNo24
101x32 2x66 cb1_off_allo11.4680NoNoNoNo44
111x46 7x47 cb1_off_allo13.16123.08955YesYesNoYes77
121x46 1x50 cb1_off_allo22.14490YesYesYesNo79
131x50 2x50 cb1_off_allo26.92272.77878YesNoYesNo99
142x50 3x39 cb1_off_allo18.01520YesNoNoNo99
153x39 7x45 cb1_off_allo18.29790NoNoYesYes99
166x48 Lig cb1_off_allo87.48050YesYesYesYes80
171x46 7x46 cb1_off_allo17.1130YesYesNoNo79
182x50 7x46 cb1_off_allo18.50761.17367YesNoNoNo99
192x50 7x49 cb1_off_allo29.45144.8244YesNoNoYes99
202x54 7x42 cb1_off_allo13.16120NoNoNoNo77
211x46 2x54 cb1_off_allo16.43645.80497YesYesNoNo77
221x50 7x50 cb1_off_allo10.77232.69129YesNoNoNo99
232x40 2x43 cb1_off_allo55.28770YesYesYesNo98
243x42 4x46 cb1_off_allo20.2230NoNoYesNo88
252x41 4x46 cb1_off_allo15.59458.00748NoNoYesNo38
263x49 3x50 cb1_off_allo13.57416.91528YesYesYesYes99
273x50 6x33 cb1_off_allo37.03740.953415YesYesNoNo98
282x40 6x33 cb1_off_allo40.1950YesYesNoNo98
293x50 3x53 cb1_off_allo18.391.02884YesYesYesNo98
302x66 E1.F180 cb1_off_allo10.33712.29604NoNoNoNo44
313x26 E2.H270 cb1_off_allo22.07820NoNoYesYes53
323x26 4x60 cb1_off_allo18.07550NoNoNoNo56
335x43 Lig cb1_off_allo14.50490YesYesYesYes60
342x46 6x40 cb1_off_allo10.47050NoYesNoNo98
353x53 3x54 cb1_off_allo13.17070YesNoNoNo89
364x60 5x39 cb1_off_allo17.05581.58701NoNoYesNo67
377x34 Lig cb1_off_allo13.92360YesYesYesYes40
385x43 6x52 cb1_off_allo15.63580YesYesNoNo67
395x44 6x52 cb1_off_allo12.2050NoNoNoNo57
406x58 E3.M371 cb1_off_allo12.36062.4469YesYesYesNo41
416x48 7x45 Shared10078.7443YesYesYesYes89
427x45 7x49 Shared83.4112100YesYesNoYes99
431x53 7x50 Shared10.04813.1909NoNoNoNo99
441x53 7x53 Shared13.275514.1474NoNoYesYes99
457x49 7x53 Shared77.820197.7884NoYesYesYes99
462x40 I1x50 Shared15.248361.5979YesYesYesNo99
472x43 7x53 Shared61.396573.2048YesNoYesYes89
482x46 7x53 Shared42.76539.6603NoYesYesYes99
492x46 3x42 Shared33.720924.7405NoYesNoNo98
502x45 3x42 Shared12.633823.5789NoNoNoNo98
512x45 4x50 Shared11.712613.8909NoNoYesYes99
523x36 5x43 Shared10.724638.8064YesYesYesYes76
533x36 6x48 Shared15.143437.1862YesYesYesYes78
54E2.F268 Lig Shared19.196915.3482YesYesYesYes50
556x58 E2.I267 Shared16.468111.2931YesYesNoYes44
563x28 NT.F102 cb1_off012.6569NoYesNoYes65
573x25 NT.F102 cb1_off016.8477NoYesNoYes95
582x57 Lig cb1_off3.5293411.441YesYesYesYes70
59Lig NT.F102 cb1_off026.581YesYesNoYes05
60Lig NT.I105 cb1_off012.8711YesYesNoNo03
61NT.E106 NT.I105 cb1_off012.1108NoNoNoNo43
62NT.E106 NT.L111 cb1_off011.1725NoNoNoNo44
631x46 1x49 cb1_off010.1798YesYesNoYes78
641x46 7x42 cb1_off013.6344YesYesNoNo77
652x57 7x42 cb1_off013.7038YesYesNoNo77
661x49 7x50 cb1_off6.0198914.4249NoYesNoNo89
676x48 7x41 cb1_off3.138674.2699YesYesNoNo87
687x41 Lig cb1_off057.4674NoNoYesYes70
698x47 8x50 cb1_off1.0737311.0246NoNoNoNo88
702x40 8x47 cb1_off012.0474YesYesNoNo98
711x57 I1x50 cb1_off062.2767NoNoYesNo79
721x57 2x44 cb1_off062.8047NoNoNoNo76
732x43 2x44 cb1_off063.5258YesNoNoNo86
742x39 2x40 cb1_off046.9255NoNoYesYes89
753x49 I2x57 cb1_off6.7981819.1739YesYesYesYes96
762x39 3x49 cb1_off0.96254646.8773NoNoYesYes89
772x42 2x43 cb1_off8.078426.587NoYesYesNo88
782x42 2x46 cb1_off023.1324NoYesNoYes89
793x36 3x40 cb1_off4.3552812.3461YesYesNoNo77
805x58 6x37 cb1_off5.1907638.6857NoYesNoNo98
812x42 6x37 cb1_off6.1024840.0525NoYesNoNo88
823x49 I2x53 cb1_off4.885820.1515YesYesYesYes97
833x51 3x55 cb1_off4.1646818.4045NoNoNoNo86
843x55 3x56 cb1_off020.4894NoNoNoYes65
853x56 I2x56 cb1_off028.7684NoYesNoNo54
863x52 I2x56 cb1_off5.9563530.8231YesNoNoNo54
873x52 I2x53 cb1_off7.9767516.6697YesNoYesYes57
883x52 I2x57 cb1_off3.9105416.199YesNoYesYes56
893x51 5x60 cb1_off016.3137NoNoNoNo84
905x60 5x64 cb1_off2.0871112.1138NoNoNoYes45
915x39 E2.W255 cb1_off9.5968718.4377YesNoYesYes75
925x39 5x43 cb1_off021.4669YesNoYesYes76
935x66 6x31 cb1_off015.5081NoNoNoYes05
945x62 5x66 cb1_off018.4951NoNoNoNo60
955x62 6x38 cb1_off021.9889NoNoNoNo66
965x58 6x38 cb1_off3.2084927.1874NoYesNoNo96
976x51 7x34 cb1_off3.1100114.6573NoYesYesYes74
986x44 7x45 cb1_off0.90854221.3885NoNoYesYes99
993x36 6x44 cb1_off020.951YesYesNoNo79
1006x51 7x41 cb1_off016.5792NoYesNoNo77

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
2x64NT.N101cb1_off13.2900112
E1.K183NT.N101cb1_off6.29500022
NT.F102NT.M103cb1_off4.97501011
2x60NT.F102cb1_off5.2801011
3x25NT.F102cb1_off6.96501111
3x28NT.F102cb1_off9.3101821
LigNT.F102cb1_off4.3901101
2x57NT.M103cb1_off6.8401111
2x60NT.M103cb1_off6.13501011
2x61NT.M103cb1_off3.73500111
LigNT.M103cb1_off11.4401101
2x64NT.D104cb1_off9.55500112
NT.E106NT.I105cb1_off4.100021
LigNT.I105cb1_off10.31501101
1x392x57cb1_off3.96501011
1x392x61cb1_off4.62501011
1x39Ligcb1_off3.97501010
1x402x61cb1_off6.0900021
2x577x42cb1_off11.5701112
2x57LigShared12.28512.091110
2x603x28cb1_off7.6501012
2x612x65Shared16.414.710111
2x642x65Shared10.759.050111
3x253x26cb1_off4.2601112
3x25E2.P269Shared9.3911.561112
3x25E2.H270cb1_off8.48501112
3x29E2.F268cb1_off7.9200111
3x29E2.I271cb1_off3.56500112
3x32Ligcb1_off15.52500010
3x335x43Shared10.9154.850111
3x365x43Shared5.5154.011021
3x365x47Shared6.5053.931022
3x366x44cb1_off4.8701022
3x366x48Shared29.56536.081021
3x366x52cb1_off4.2601022
3x375x43Shared6.0654.850021
E2.I271E2.S265cb1_off4.64500022
E2.F268E2.I267Shared10.0517.581112
6x55E2.I267cb1_off3.64501112
7x34E2.I267Shared9.4211.30112
6x55E2.F268Shared4.9756.221111
E2.F268LigShared7.0721.581110
E2.H270E2.P269Shared4.584.581522
5x435x44cb1_off5.28501112
5x435x47cb1_off6.1101112
6x447x45Shared3.434.121722
6x487x41Shared18.286.531011
6x487x45Shared6.2153.391012
6x516x55cb1_off4.2401011
6x517x34Shared6.094.871011
6x517x41cb1_off4.7601011
6x51Ligcb1_off4.70501010
6x547x34Shared6.915.020021
7x38LigShared16.6059.580110
7x39Ligcb1_off8.2800010
7x41Ligcb1_off4.7101010
NT.E106NT.L111cb1_off5.300022
7x34NT.F108cb1_off5.3600112
6x446x48cb1_off3.41501721
1x432x57cb1_off3.0100021
1x362x61cb1_off2.7700021
3x303x33Shared2.731.820021
5x395x43cb1_off2.4100421
2x563x32Shared2.3053.070021
2x53Ligcb1_off1.9900010
2x572x58cb1_off1.96501112
2x533x35Shared1.8553.710012
1x381x39cb1_off1.500021
NT.C107NT.F108cb1_off1.39500022
NT.C107NT.M103cb1_off_allo04.860021
2x64NT.I105cb1_off_allo05.020111
NT.E106NT.M109cb1_off_allo05.410022
E2.P269NT.F108cb1_off_allo07.221022
2x64NT.M109cb1_off_allo04.980112
1x35NT.L111cb1_off_allo04.280022
2x65NT.L111cb1_off_allo07.710112
1x352x61cb1_off_allo05.020021
1x357x39cb1_off_allo04.370021
1x387x39cb1_off_allo05.650021
1x392x62cb1_off_allo06.191012
1x397x39cb1_off_allo04.61011
1x437x42cb1_off_allo03.420022
2x572x61cb1_off_allo05.361111
2x573x32cb1_off_allo05.241111
2x577x38cb1_off_allo05.281111
2x577x41cb1_off_allo08.381111
2x587x42cb1_off_allo04.470022
2x60Ligcb1_off_allo06.391010
2x61Ligcb1_off_allo011.220110
2x64Ligcb1_off_allo06.040110
2x65Ligcb1_off_allo03.650110
3x253x29cb1_off_allo07.311111
3x25Ligcb1_off_allo03.451110
3x26E2.H270cb1_off_allo03.860022
3x29Ligcb1_off_allo06.870110
3x33Ligcb1_off_allo05.220110
E2.F268E2.S265cb1_off_allo03.961112
7x34E2.F268cb1_off_allo04.290111
5x39E2.I271cb1_off_allo07.250422
5x436x52cb1_off_allo03.421112
5x43Ligcb1_off_allo010.491110
5x446x52cb1_off_allo05.710022
6x48Ligcb1_off_allo08.071010
6x55Ligcb1_off_allo04.011110
7x34Ligcb1_off_allo08.630110
1x362x62cb1_off_allo01.620022
6x517x37cb1_off_allo01.591012
1x402x58cb1_off_allo01.490022
E1.K183NT.I105cb1_off_allo01.450021
NT.D104NT.M103cb1_off_allo01.390021
NT.D104NT.N101cb1_off_allo01.350022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
cb1_off_allo 6KQI-CB1-PubMed 104895-ORG27569
cb1_off 5TGZ-CB1-AM6538
5U09-CB1-Taranabant
Network Difference
Value cb1_off_allo cb1_off
Imin 3.23 3.4
Number of Linked Nodes 265 285
Number of Specific Nodes 3 (1.13%) 23  (8.07%)
Number of Shared Nodes 262 (98.87%) 262  (91.93%)
Number of Links 297 318
Number of Specific Links 132 (44.44%) 153  (48.11%)
Number of Shared Links 165 (55.56%) 165  (51.89%)
Number of Hubs 39 46
Number of Specific Hubs 18 (46.15%) 25  (54.35%)
Number of Shared Hubs 21 (53.85%) 21  (45.65%)
Average % Shared Neighbours (Jaccard) 41.17
Average % Shared Neighbours (Otsuka) 49.21
Average % Shared Neighbours (Overlap Coefficient) 56.30
Average % Shared Cliques (k3-6) 77.91
Graphlets Similarity 0.617932
Paths Difference
Value cb1_off_allo cb1_off
Number Of Nodes in MetaPath 53 58
Specific Nodes in MetaPath 27 (50.94%) 32  (55.17%)
Shared Nodes in MetaPath 262 (98.87%) 262  (98.87%)
Number Of Links MetaPath 55 60
Specific Links in MetaPath 40 (72.73%) 45  (75.00%)
Shared Links in MetaPath 165 (55.56%) 165  (55.56%)
Number of Shortest Paths 56988 62483
Length Of Smallest Path 3 3
Average Path Length 12.3588 14.0211
Length of Longest Path 28 31
Minimum Path Strength 1.365 0.7525
Average Path Strength 6.73898 6.63909
Maximum Path Strength 22.075 23.9225
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.922697 0.918223
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.16667 3.44828
Average % Of Corr. Nodes 48.715 41.5775
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 48.3957 48.0755
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 cb1_off_ortoallo.zip<



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