Orange: nodes, hubs and links specific of opioid_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of opioid_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 opioid_off Avg Int. Strength opioid_on Avg Int. Strength opioid_off Num Of Links opioid_on Num Of Links ConSurf
11x39 opioid_off250437
21x42 opioid_off00427
31x50 opioid_off00439
41x60 opioid_off8.333330435
52x41 opioid_off00426
62x45 opioid_off66.66670439
72x57 opioid_off250427
83x37 opioid_off2534.6154427
93x50 opioid_off500629
106x27 opioid_off00423
116x32 opioid_off00537
126x44 opioid_off1000529
137x45 opioid_off33.333325539
148x54 opioid_off00416
15Lig Shared10010016230
162x42 Shared91.666773.0769657
17E1x50 Shared66.666791.6667658
18E1x52 Shared66.666779.4872557
193x34 Shared16.666750454
203x51 Shared2560.8974548
214x50 Shared5040.3846449
22E2 Shared10010012144
235x40 Shared025444
245x47 Shared034.6154448
255x58 Shared5050459
26I3 Shared16.666766.6667544
276x48 Shared7575668
28E3 Shared025472
297x42 Shared91.666740.3846447
307x49 Shared067.3077449
317x53 Shared66.666750469
328x50 Shared66.666723.7179569
331x35 opioid_on025244
341x36 opioid_on00345
351x43 opioid_on08.33333246
362x44 opioid_on025346
372x46 opioid_on036.5385259
382x50 opioid_on2575359
392x64 opioid_on00155
403x35 opioid_on00248
413x56 opioid_on00346
42I2x56 opioid_on00244
435x44 opioid_on036.5385345
446x30 opioid_on00246
456x52 opioid_on2574.359358
467x35 opioid_on038.4615344
477x47 opioid_on00147
   
Orange: nodes, hubs and links specific of opioid_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of opioid_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 opioid_off Recurrence opioid_on Recurrence opioid_off Hub1? opioid_on Hub1? opioid_off Hub2? opioid_on Hub2? ConSurf1 ConSurf2
11x39 2x57 opioid_off43.16690YesNoYesNo77
21x36 2x61 opioid_off31.60991.17414NoYesNoNo56
31x39 2x61 opioid_off34.02330YesNoNoNo76
41x36 2x65 opioid_off24.20291.17414NoYesNoNo55
51x42 2x57 opioid_off13.18550YesNoYesNo77
62x54 7x46 opioid_off21.00460NoNoNoNo69
72x50 7x46 opioid_off23.92821.27198NoYesNoNo99
82x50 7x49 opioid_off46.61046.3652NoYesYesYes99
96x48 Lig opioid_off93.1620YesYesYesYes80
101x50 7x50 opioid_off12.11621.27198YesNoNoNo99
111x50 2x50 opioid_off21.00463.80537YesNoNoYes99
122x45 4x49 opioid_off78.83840YesNoNoNo97
133x41 4x49 opioid_off80.72212.1711NoNoNoNo67
143x37 3x41 opioid_off80.76130YesNoNoNo76
153x37 5x43 opioid_off82.09566.92318YesNoNoNo75
165x43 Lig opioid_off82.44877.97567NoNoYesYes50
171x55 8x57 opioid_off23.2120NoNoNoNo45
181x52 8x57 opioid_off31.41370NoNoNoNo65
191x52 8x54 opioid_off33.87620NoNoYesNo66
208x50 8x54 opioid_off40.80250.864736YesYesYesNo96
211x57 8x50 opioid_off65.80990NoNoYesYes79
221x55 1x59 opioid_off20.69071.06836NoNoNoNo44
231x59 1x60 opioid_off18.11052.13407NoNoYesNo45
242x42 4x46 opioid_off56.61736.40751YesYesNoNo77
252x45 4x46 opioid_off74.06066.25678YesNoNoNo97
263x50 6x37 opioid_off62.54290YesNoNoNo97
275x58 6x37 opioid_off61.69920.87267YesYesNoNo97
283x47 5x58 opioid_off71.17632.1711NoNoYesYes99
293x47 5x54 opioid_off71.66681.08687NoNoNoNo98
305x54 6x41 opioid_off73.19730NoNoNoNo88
313x43 6x41 opioid_off75.10060NoNoNoNo88
323x43 6x44 opioid_off76.5820NoNoYesNo89
336x44 6x48 opioid_off71.9711.88285YesNoYesYes98
343x50 6x33 opioid_off23.27090YesNoNoNo97
352x41 4x46 opioid_off27.16573.5515YesNoNoNo67
362x46 7x53 opioid_off36.72138.03914NoYesYesYes99
372x56 3x28 opioid_off10.62490NoNoNoNo65
383x28 E1x50 opioid_off12.6950NoNoYesYes58
39E1x51 E1x52 opioid_off37.7226.60849NoNoYesYes47
402x66 E1x51 opioid_off40.11583.30557NoNoNoNo34
412x66 E1x49 opioid_off42.48990NoNoNoNo35
42E1x49 E2 opioid_off44.34420.975803NoNoYesYes54
437x34 7x38 opioid_off38.6540.169245NoNoNoNo55
447x34 7x35 opioid_off24.5070NoNoNoYes54
453x40 6x44 opioid_off22.90790NoNoYesNo89
463x40 5x50 opioid_off20.11184.29195NoNoNoNo89
473x49 I2x57 opioid_off10.08543.25003NoNoNoNo86
483x51 5x61 opioid_off34.01350YesYesNoNo88
493x51 3x55 opioid_off14.46096.39164YesYesNoNo87
502x41 4x39 opioid_off24.57570YesNoNoNo61
514x38 4x39 opioid_off21.44613.25003NoNoNoNo71
525x35 E2 opioid_off13.23465.76226NoNoYesYes34
535x34 5x35 opioid_off10.62494.61986NoNoNoNo33
545x47 6x52 opioid_off47.9255.02711YesYesNoYes88
555x44 5x47 opioid_off17.55130.163956NoYesYesYes58
565x49 5x50 opioid_off17.29621.07894NoNoNoNo59
575x46 5x49 opioid_off14.46090NoNoNoNo45
585x47 5x51 opioid_off14.07830.735158YesYesNoNo86
595x47 6x49 opioid_off14.07833.80537YesYesNoNo85
606x32 6x33 opioid_off20.39640YesNoNoNo77
618x47 8x50 opioid_off18.19883.1945NoNoYesYes89
626x36 8x47 opioid_off12.97950NoNoNoNo88
636x36 7x56 opioid_off10.74271.06836NoNoNoNo86
646x54 7x34 opioid_off12.65572.17903NoNoNoNo45
657x31 7x35 opioid_off19.88621.17414NoNoNoYes44
667x31 E3 opioid_off17.34520NoNoYesYes42
673x50 6x30 opioid_off27.43060YesNoNoYes96
686x27 6x30 opioid_off24.93873.25003YesNoNoYes36
696x26 6x27 opioid_off11.31170NoNoYesNo43
703x55 3x56 opioid_off11.64524.26021NoNoNoYes76
714x38 4x41 opioid_off15.1287.51289NoNoNoNo74
721x32 2x65 opioid_off14.0390NoNoNoNo45
735x51 5x55 opioid_off10.58570NoNoNoNo64
743x46 6x37 opioid_off45.79610NoNoNoNo87
753x36 6x52 opioid_off13.23460NoNoNoYes78
766x44 7x45 opioid_off24.61490YesNoYesNo99
772x57 7x42 Shared61.218519.3733YesNoYesYes77
787x45 7x49 Shared55.23498.7518YesNoYesYes99
796x48 7x45 Shared35.4655100YesYesYesNo89
807x49 7x53 Shared38.810956.7526YesYesYesYes99
811x54 2x48 Shared74.364828.137NoNoNoNo76
822x48 4x50 Shared76.454429.0546NoNoYesYes69
832x45 4x50 Shared10044.6675YesNoYesYes99
841x54 2x44 Shared72.255527.2141NoNoNoYes76
851x57 2x44 Shared67.97824.4136NoNoNoYes76
862x42 3x49 Shared15.373317.3979YesYesNoNo78
872x42 3x46 Shared47.277524.6965YesYesNoNo78
88E1x50 E1x52 Shared25.448811.1093YesYesYesYes87
89E2 Lig Shared77.141217.0171YesYesYesYes40
907x38 Lig Shared40.645524.8526NoNoYesYes50
913x34 4x50 Shared21.181215.4277YesYesYesYes49
925x58 5x61 Shared41.646237.7681YesYesNoNo98
936x52 Lig Shared37.72252.6643NoYesYesYes80
947x42 Lig Shared62.650820.1904YesYesYesYes70
953x36 6x48 Shared13.9947.8646NoNoYesYes78
962x46 3x42 Shared36.250444.4162NoYesNoNo97
972x45 3x42 Shared35.877643.7525YesNoNoNo97
981x39 7x35 opioid_on020.9917YesNoNoYes74
991x39 7x38 opioid_on024.046YesNoNoNo75
1002x64 7x35 opioid_on2.2270213.1482NoYesNoYes54
1012x54 7x47 opioid_on011.5801NoNoNoYes67
1021x47 2x54 opioid_on9.114112.7092NoNoNoNo66
1031x43 1x47 opioid_on014.9517NoYesNoNo66
1041x43 2x57 opioid_on5.3271918.2758NoYesYesNo67
1053x36 Lig opioid_on1.4029247.661NoNoYesYes70
1066x48 6x52 opioid_on053.6189YesYesNoYes88
1071x53 1x57 opioid_on023.4695NoNoNoNo97
1082x46 7x49 opioid_on038.1542NoYesYesYes99
1091x53 7x54 opioid_on021.5655NoNoNoNo97
1107x54 8x50 opioid_on020.6056NoNoYesYes79
1113x46 7x53 opioid_on026.5371NoNoYesYes89
1123x50 5x58 opioid_on043.4642YesNoYesYes99
1133x50 7x53 opioid_on044.1306YesNoYesYes99
1143x55 5x64 opioid_on0.039242611.6726NoNoNoNo75
1155x64 5x68 opioid_on013.73NoNoNoNo56
1165x68 I3 opioid_on3.0805514.7402NoNoYesYes64
1175x65 I3 opioid_on026.1695NoNoYesYes84
1183x54 5x65 opioid_on2.9235735.9725NoNoNoNo88
1193x54 5x61 opioid_on5.4154836.8769NoNoNoNo88
1203x49 I2x56 opioid_on013.3545NoNoNoYes84
1215x65 6x33 opioid_on010.2261NoNoNoNo87

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
3x32LigShared21.99427.369871110
3x33LigShared9.585839.874041110
3x36LigShared10.88258.551991110
5x40LigShared4.216673.560581110
5x43LigShared5.084174.086031110
6x48Ligopioid_off4.5708301010
6x51LigShared4.1252.866151010
6x52LigShared5.478333.761411110
6x55LigShared12.48586.05431110
7x38LigShared4.394175.187371110
7x42LigShared8.334173.612821110
1x392x57opioid_off6.1883300022
2x563x28opioid_off5.2883300021
2x577x42Shared9.6683311.07780021
2x607x42Shared9.018337.652761111
2x63E1x50Shared6.763335.873850112
E1x49E2Shared6.4155.004491021
3x25E1x50Shared4.351675.264872122
3x28E1x50opioid_off3.7808300112
E1x50E2x50Shared11.537512.02222121
3x22E2Shared11.51928.062631121
3x25E2x50Shared7.287.1752121
3x327x42Shared5.1756.877691111
3x334x60Shared7.375835.060191112
3x366x48Shared8.820835.803141111
3x366x52opioid_off4.6241701111
3x375x43Shared3.90253.514810021
3x375x461opioid_off7.0558300022
3x406x44opioid_off5.8816700022
E2E2Shared49.625838.56971111
E2E2x51Shared6.880834.296731112
5x32E2Shared4.553333.499871021
5x35E2Shared9.42256.52841121
5x36E2Shared6.7358.420061121
5x39E2Shared5.33.447180021
5x365x40Shared7.91755.297121121
5x406x55Shared3.715833.388141111
5x476x52Shared16.396.21410121
6x446x48Shared18.87337.695511021
6x447x45opioid_off6.5441701022
6x486x51opioid_off3.6016701011
6x487x45Shared5.744178.4751012
6x547x34Shared6.099.29070021
6x58E3Shared7.064173.785190111
7x347x35opioid_off3.7033300112
7x347x38Shared5.97255.437560111
2x60LigShared7.1216711.97851110
5x325x36opioid_off3.6301022
6x487x41Shared5.628330.8293591012
7x31E3opioid_off3.7400021
E2LigShared4.8812.11081110
7x317x35Shared3.628332.328590022
3x29LigShared3.185835.549550010
4x63E2Shared2.794173.562050021
3x33E2x52Shared2.781672.891351112
5x445x47Shared2.411675.881150122
7x30E3Shared2.363334.217120121
1x31NTopioid_off2.2816700021
6x576x61opioid_off2.21500022
5x406x59Shared2.149174.273781112
2x67E2opioid_off1.107501011
7x28NTopioid_off0.91666700021
6x57E3opioid_off0.82916700021
1x282x67opioid_off0.3600021
7x34Ligopioid_on05.413590110
2x63Ligopioid_on06.240390110
3x28Ligopioid_on03.020960110
E2x50Ligopioid_on03.793332110
1x397x35opioid_on08.368080022
1x397x38opioid_on04.537560021
2x562x60opioid_on03.452560021
2x563x32opioid_on06.031280021
2x593x28opioid_on05.451732021
3x25E2opioid_on03.4552121
3x406x48opioid_on03.214040021
5x31E2opioid_on03.996470021
5x446x52opioid_on06.603530121
5x4616x52opioid_on03.193590021
6x486x52opioid_on04.173781011
E3E3opioid_on05.464740111
6x546x58opioid_on03.975960021
6x58Ligopioid_on04.231920110
E2E3opioid_on03.779171111
E3Ligopioid_on04.55250110
6x61E3opioid_on01.949810021
2x67Ligopioid_on00.4755771010
LigNTopioid_on00.06846151101

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
opioid_off mop_off
nop_off
dop_off
kop_off
opioid_on mop_on
nop_on
dop_on
kop_on
Network Difference
Value opioid_off opioid_on
Imin 3.59417 2.96474
Number of Linked Nodes 274 270
Number of Specific Nodes 4 (1.46%) 0  (0.00%)
Number of Shared Nodes 270 (98.54%) 270  (100.00%)
Number of Links 294 296
Number of Specific Links 121 (41.16%) 123  (41.55%)
Number of Shared Links 173 (58.84%) 173  (58.45%)
Number of Hubs 32 33
Number of Specific Hubs 14 (43.75%) 15  (45.45%)
Number of Shared Hubs 18 (56.25%) 18  (54.55%)
Average % Shared Neighbours (Jaccard) 46.32
Average % Shared Neighbours (Otsuka) 55.55
Average % Shared Neighbours (Overlap Coefficient) 65.25
Average % Shared Cliques (k3-6) 78.85
Graphlets Similarity 0.522407
Paths Difference
Value opioid_off opioid_on
Number Of Nodes in MetaPath 94 46
Specific Nodes in MetaPath 60 (63.83%) 12  (26.09%)
Shared Nodes in MetaPath 270 (98.54%) 270  (98.54%)
Number Of Links MetaPath 97 45
Specific Links in MetaPath 76 (78.35%) 24  (53.33%)
Shared Links in MetaPath 173 (58.84%) 173  (58.84%)
Number of Shortest Paths 38429 58354
Length Of Smallest Path 3 3
Average Path Length 12.7195 13.9075
Length of Longest Path 31 32
Minimum Path Strength 0.40375 0.27125
Average Path Strength 5.79821 5.17267
Maximum Path Strength 15.1461 15.131
Minimum Path Correlation 0.704167 0.700513
Average Path Correlation 0.918207 0.915598
Maximum Path Correlation 0.989167 0.989167
Minimum % Of Corr. Nodes 4 3.33333
Average % Of Corr. Nodes 48.6939 43.7688
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 39.4921 43.5337
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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