Orange: nodes, hubs and links specific of cb1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cb1_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 cb1_off Avg Int. Strength cb1_on Avg Int. Strength cb1_off Num Of Links cb1_on Num Of Links ConSurf
1NT.N101 cb1_off500406
2NT.F102 cb1_off1000505
3NT.M103 cb1_off1000504
4NT.F108 cb1_off5033.3333525
5NT.M109 cb1_off00413
61x28 cb1_off00536
71x39 cb1_off033.3333437
81x49 cb1_off00538
91x56 cb1_off033.3333438
102x37 cb1_off00435
112x57 cb1_off10066.6667637
123x28 cb1_off500516
133x36 cb1_off10066.6667637
143x49 cb1_off5033.3333439
153x50 cb1_off1000639
163x56 cb1_off00435
17I2x57 cb1_off5033.3333426
18E2.E258 cb1_off1000531
19E2.I267 cb1_off10066.6667434
205x64 cb1_off00435
216x31 cb1_off00425
226x51 cb1_off500437
236x58 cb1_off500434
247x30 cb1_off00423
257x45 cb1_off1000539
267x49 cb1_off5033.3333439
271x46 Shared033.3333447
282x40 Shared100100579
292x42 Shared5033.3333448
302x46 Shared033.3333449
312x61 Shared50100555
323x25 Shared10066.6667449
33I2x53 Shared10033.3333657
344x50 Shared10033.3333649
35E2.W255 Shared10033.3333455
36E2.F268 Shared10066.6667445
37E2.H270 Shared1000543
385x36 Shared033.3333445
395x43 Shared100100666
405x58 Shared50100669
416x48 Shared100100478
426x59 Shared00444
437x34 Shared10066.6667464
447x47 Shared00547
457x53 Shared5066.6667459
46Lig Shared10010012140
47NT.L111 cb1_on500344
48I1x50 cb1_on066.6667349
49I1x51 cb1_on00248
502x50 cb1_on066.6667359
512x54 cb1_on00247
522x64 cb1_on033.3333354
532x65 cb1_on066.6667244
543x22 cb1_on033.3333343
553x32 cb1_on00247
563x44 cb1_on066.6667347
574x39 cb1_on00341
584x52 cb1_on00245
59E2.N256 cb1_on00346
60E2.D266 cb1_on00254
615x39 cb1_on5033.3333347
625x44 cb1_on066.6667355
635x60 cb1_on50100354
646x30 cb1_on033.3333357
65E3.M371 cb1_on00251
667x52 cb1_on066.6667249
678x49 cb1_on033.3333346
   
Orange: nodes, hubs and links specific of cb1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cb1_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 cb1_off Recurrence cb1_on Recurrence cb1_off Hub1? cb1_on Hub1? cb1_off Hub2? cb1_on Hub2? ConSurf1 ConSurf2
13x28 NT.F102 cb1_off12.65690YesNoYesNo65
23x25 NT.F102 cb1_off16.84770YesYesYesNo95
32x57 Lig cb1_off11.4411.11799YesNoYesYes70
4Lig NT.F102 cb1_off26.5810YesYesYesNo05
5Lig NT.I105 cb1_off12.87110YesYesNoNo03
6NT.E106 NT.I105 cb1_off12.11080NoNoNoNo43
7NT.E106 NT.L111 cb1_off11.17250NoNoNoYes44
81x46 1x49 cb1_off10.17980YesYesYesNo78
91x46 7x42 cb1_off13.63440YesYesNoNo77
102x57 7x42 cb1_off13.70380YesNoNoNo77
111x49 7x50 cb1_off14.42497.19863YesNoNoNo89
126x48 7x41 cb1_off74.26995.44058YesYesNoNo87
137x41 Lig cb1_off57.46740NoNoYesYes70
141x53 7x50 cb1_off13.19090NoNoNoNo99
152x45 4x50 cb1_off13.89093.91295NoNoYesYes99
162x45 3x42 cb1_off23.57897.80457NoNoNoNo98
172x46 3x42 cb1_off24.74059.07617YesYesNoNo98
182x46 7x53 cb1_off39.66030YesYesYesYes99
197x49 7x53 cb1_off97.78840YesNoYesYes99
208x47 8x50 cb1_off11.02460NoNoNoNo88
212x40 8x47 cb1_off12.04741.16066YesYesNoNo98
221x57 I1x50 cb1_off62.27670.179219NoNoNoYes79
231x57 2x44 cb1_off62.80470NoNoNoNo76
242x43 2x44 cb1_off63.52580NoNoNoNo86
252x43 7x53 cb1_off73.20480NoNoYesYes89
263x49 I2x57 cb1_off19.17390YesNoYesNo96
272x42 2x43 cb1_off26.5870YesYesNoNo88
282x42 2x46 cb1_off23.13240YesYesYesYes89
293x36 5x43 cb1_off38.80640YesNoYesYes76
303x36 6x48 cb1_off37.18620YesNoYesYes78
313x36 3x40 cb1_off12.34610YesNoNoNo77
325x58 6x37 cb1_off38.68573.98976YesYesNoNo98
332x42 6x37 cb1_off40.05250YesYesNoNo88
343x51 3x55 cb1_off18.40450.0384041NoNoNoNo86
353x55 3x56 cb1_off20.48945.30403NoNoYesNo65
363x56 I2x56 cb1_off28.76840YesNoNoNo54
373x52 I2x56 cb1_off30.82312.58161NoNoNoNo54
383x52 I2x53 cb1_off16.66973.86175NoNoYesYes57
393x52 I2x57 cb1_off16.1990NoNoYesNo56
403x51 5x60 cb1_off16.31372.62428NoNoNoYes84
415x39 5x43 cb1_off21.46690NoYesYesYes76
425x66 6x31 cb1_off15.50810NoNoYesNo55
435x62 5x66 cb1_off18.49510NoNoNoNo65
445x62 6x38 cb1_off21.98890NoNoNoNo66
455x58 6x38 cb1_off27.18740YesYesNoNo96
461x53 7x53 cb1_off14.14740NoNoYesYes99
476x44 7x45 cb1_off21.38850NoNoYesNo99
483x36 6x44 cb1_off20.9510YesNoNoNo79
496x51 7x41 cb1_off16.57920YesNoNoNo77
507x45 7x49 Shared100100YesNoYesNo99
516x48 7x45 Shared78.744399.7866YesYesYesNo89
522x40 I1x50 Shared61.597913.578YesYesNoYes99
532x39 2x40 Shared46.925528.8713NoNoYesYes89
542x39 3x49 Shared46.877329.8571NoNoYesNo89
55E2.F268 Lig Shared15.348210.0405YesYesYesYes50
563x49 I2x53 Shared20.151532.4899YesNoYesYes97
575x60 5x64 Shared12.113813.0019NoYesYesNo45
585x39 E2.W255 Shared18.437713.2281NoYesYesYes75
596x58 E2.I267 Shared11.293134.2266YesNoYesNo44
606x51 7x34 Shared14.657322.2872YesNoYesYes74
612x64 Lig cb1_on010.2496NoYesYesYes40
623x29 Lig cb1_on018.7796NoNoYesYes40
633x25 3x29 cb1_on018.2291YesYesNoNo94
646x58 E2.D266 cb1_on4.6584619.5776YesNoNoYes44
657x34 E2.I267 cb1_on4.3295926.0038YesYesYesNo44
667x34 Lig cb1_on013.0062YesYesYesYes40
672x65 NT.L111 cb1_on013.7487NoYesNoYes44
682x65 Lig cb1_on014.0132NoYesYesYes40
691x35 2x61 cb1_on014.0772NoNoYesYes55
702x61 Lig cb1_on014.1583YesYesYesYes50
711x35 7x39 cb1_on011.6194NoNoNoNo55
721x46 7x46 cb1_on017.269YesYesNoNo79
732x50 7x46 cb1_on1.1736718.4212NoYesNoNo99
742x50 7x49 cb1_on4.824419.4709NoYesYesNo99
755x43 6x48 cb1_on065.0139YesYesYesYes68
765x43 Lig cb1_on061.8135YesYesYesYes60
771x46 2x54 cb1_on5.8049711.5938YesYesNoYes77
781x50 2x50 cb1_on2.7787815.6475NoNoNoYes99
792x42 3x49 cb1_on062.0098YesYesYesNo89
802x42 3x46 cb1_on1.4904770.6123YesYesNoNo89
813x46 3x50 cb1_on071.342NoNoYesNo99
823x50 7x53 cb1_on059.7269YesNoYesYes99
833x43 7x53 cb1_on094.0815NoNoYesYes89
842x46 3x43 cb1_on094.4613YesYesNoNo98
852x46 7x49 cb1_on080.5419YesYesYesNo99
861x56 8x57 cb1_on5.4972213.8724YesNoNoNo85
871x59 8x57 cb1_on3.4093716.6588NoNoNoNo55
881x59 I1x48 cb1_on020.0981NoNoNoNo56
89I1x48 I1x51 cb1_on3.8408215.831NoNoNoYes68
904x39 I1x51 cb1_on010.6465NoYesNoYes18
912x38 4x39 cb1_on024.3226NoNoNoYes51
922x38 I2x57 cb1_on2.235725.2998NoNoYesNo56
93I2x53 I2x57 cb1_on0.105626.3793YesYesYesNo76
941x60 I1x51 cb1_on010.9452NoNoNoYes68
951x60 I1x50 cb1_on6.6920112.8952NoNoNoYes69
962x42 3x45 cb1_on011.6322YesYesNoNo86
974x60 5x39 cb1_on1.5870110.6038NoNoNoYes67
985x39 Lig cb1_on027.5741NoYesYesYes70
993x54 5x64 cb1_on2.130116.501NoNoYesNo95
1003x54 5x61 cb1_on017.5336NoNoNoNo99
1015x58 5x61 cb1_on036.8167YesYesNoNo99
1025x58 7x53 cb1_on032.1101YesYesYesYes99
1036x58 E3.M371 cb1_on2.446913.0617YesNoNoYes41
1045x65 6x30 cb1_on017.9176NoNoNoYes87
1055x65 6x33 cb1_on019.1252NoNoNoNo88
1065x61 6x33 cb1_on020.1067NoNoNoNo98
107E2.D266 E3.K370 cb1_on2.4197410.2283NoYesNoNo41
1086x48 6x51 cb1_on023.6783YesYesYesNo87
1092x46 2x50 cb1_on016.134YesYesNoYes99
1103x50 5x58 cb1_on012.1314YesNoYesYes99

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_off6.96501221
3x28NT.F102cb1_off9.3101021
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
2x57LigShared12.2858.511110
2x603x28Shared7.657.651012
2x612x65Shared16.46.790111
2x642x65Shared10.7510.55670111
3x29E2.F268cb1_off7.9200011
3x29E2.I271Shared3.5653.330012
3x32LigShared15.5254.246670110
3x335x43Shared10.9153.640111
3x363x40cb1_off6.55501112
3x365x43cb1_off5.51501111
3x365x47cb1_off6.50501112
3x366x44cb1_off4.8701112
3x366x48cb1_off29.56501112
3x366x52cb1_off4.2601112
3x375x43Shared6.0654.850021
4x605x39Shared19.476.486670021
5x39E2.W255Shared13.9855.466670012
E2.F268E2.I267Shared10.056.696671112
6x55E2.I267cb1_off3.64501022
7x34E2.I267Shared9.423.346670112
6x55E2.F268cb1_off4.97501021
E2.F268LigShared7.0714.271110
5x435x44cb1_off5.28501112
5x435x47Shared6.119.331112
6x487x41Shared18.284.353331021
6x516x55cb1_off4.2401012
6x517x34Shared6.092.843331011
6x517x41cb1_off4.7601011
6x51Ligcb1_off4.70501010
6x547x34Shared6.917.953330021
7x38LigShared16.6053.616670110
7x39Ligcb1_off8.2800010
7x41Ligcb1_off4.7101010
NT.E106NT.L111cb1_off5.300022
7x34NT.F108cb1_off5.3600112
5x42E2.W255cb1_off4.0100022
6x446x48cb1_off3.41501022
1x432x57cb1_off3.0100021
1x362x61cb1_off2.7700021
3x303x33Shared2.733.033330021
5x395x43cb1_off2.4100011
2x563x32Shared2.3052.560021
2x53Ligcb1_off1.9900010
2x572x58cb1_off1.96501112
2x533x35Shared1.8553.710012
1x381x39cb1_off1.500021
E1.K183NT.I105cb1_on05.330021
2x64NT.M109cb1_on03.730112
1x352x61cb1_on02.933330021
1x357x39cb1_on03.886670021
1x387x39cb1_on04.710021
2x572x61cb1_on010.361111
2x60Ligcb1_on04.441010
2x61Ligcb1_on03.460110
2x64Ligcb1_on0110110
2x65Ligcb1_on07.550110
3x29Ligcb1_on03.636670010
3x323x36cb1_on03.493330111
3x33Ligcb1_on09.016670110
3x367x41cb1_on08.846671111
3x36Ligcb1_on04.751110
E2.F268E2.I271cb1_on05.441112
7x34E2.F268cb1_on02.856670111
5x39Ligcb1_on04.616670010
5x436x48cb1_on03.436671112
5x436x55cb1_on03.876671112
5x43Ligcb1_on06.303331110
5x446x52cb1_on02.853330022
5x446x55cb1_on05.833330022
6x557x34cb1_on03.321021
7x34Ligcb1_on03.740110
2x65NT.L111cb1_on030112
2x573x32cb1_on04.371111
2x617x38cb1_on04.406670111
2x64E1.H181cb1_on03.393330112
3x253x29cb1_on03.653331221
6x486x51cb1_on04.173331021
6x486x52cb1_on04.553331022
2x64E1.R182cb1_on04.633330112
5x395x42cb1_on02.406670012
1x392x62cb1_on02.066671012
1x397x39cb1_on02.046671011
3x406x48cb1_on02.043330022
2x582x62cb1_on01.536670022
1x391x40cb1_on01.51012
1x362x62cb1_on01.083330022
6x517x40cb1_on00.9233331012
NT.D104NT.E106cb1_on00.8666670022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
cb1_off 5TGZ-CB1-AM6538
5U09-CB1-Taranabant
cb1_on 8GHV-CB1-PubChem 145964903-Gi1/&β;1/&γ;2
6KPG-CB1-AM841-Gi1/&β;1/&γ;2
6N4B-CB1-MDMB-Fubinaca-Gi1/&β;1/&γ;2
Network Difference
Value cb1_off cb1_on
Imin 3.4 2.70667
Number of Linked Nodes 285 282
Number of Specific Nodes 12 (4.21%) 9  (3.19%)
Number of Shared Nodes 273 (95.79%) 273  (96.81%)
Number of Links 318 320
Number of Specific Links 168 (52.83%) 170  (53.13%)
Number of Shared Links 150 (47.17%) 150  (46.88%)
Number of Hubs 46 41
Number of Specific Hubs 26 (56.52%) 21  (51.22%)
Number of Shared Hubs 20 (43.48%) 20  (48.78%)
Average % Shared Neighbours (Jaccard) 35.23
Average % Shared Neighbours (Otsuka) 43.98
Average % Shared Neighbours (Overlap Coefficient) 52.02
Average % Shared Cliques (k3-6) 76.67
Graphlets Similarity 0.650852
Paths Difference
Value cb1_off cb1_on
Number Of Nodes in MetaPath 58 58
Specific Nodes in MetaPath 31 (53.45%) 31  (53.45%)
Shared Nodes in MetaPath 273 (95.79%) 273  (95.79%)
Number Of Links MetaPath 60 61
Specific Links in MetaPath 49 (81.67%) 50  (81.97%)
Shared Links in MetaPath 150 (47.17%) 150  (47.17%)
Number of Shortest Paths 62483 48236
Length Of Smallest Path 3 3
Average Path Length 14.0211 13.2571
Length of Longest Path 31 30
Minimum Path Strength 0.7525 0.895
Average Path Strength 6.63909 4.60333
Maximum Path Strength 23.9225 12.7583
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.918223 0.918247
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.44828 3.57143
Average % Of Corr. Nodes 41.5775 44.883
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 48.0755 40.438
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_on.zip<



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