Orange: nodes, hubs and links specific of mop_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of mop_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 mop_off Avg Int. Strength mop_on Avg Int. Strength mop_off Num Of Links mop_on Num Of Links ConSurf
11x36 mop_off00435
21x42 mop_off00427
31x50 mop_off025439
41x60 mop_off33.33330535
56x32 mop_off33.33330437
66x44 mop_off10037.5539
7E3 mop_off012.5512
82x42 Shared66.666787.5557
92x57 Shared00447
10E1x50 Shared66.6667100668
11E1x52 Shared66.666787.5557
123x34 Shared66.666762.5454
133x51 Shared66.666775548
14I2x57 Shared33.33330446
154x50 Shared66.666775449
16E2 Shared10010012134
175x47 Shared66.666750458
185x58 Shared33.333375559
19I3 Shared33.333362.5554
206x48 Shared66.6667100468
216x49 Shared00445
227x34 Shared66.6667100555
237x42 Shared66.666750547
247x45 Shared33.333387.5649
257x49 Shared075449
267x53 Shared66.6667100559
278x50 Shared66.666775449
28Lig Shared10010018160
291x39 mop_on33.333337.5347
301x53 mop_on00149
312x44 mop_on00346
322x50 mop_on0100359
332x64 mop_on012.5345
343x32 mop_on050246
353x37 mop_on33.333350347
363x38 mop_on050347
37I2x56 mop_on025244
384x41 mop_on00244
395x44 mop_on050345
406x52 mop_on025348
417x35 mop_on050244
427x52 mop_on00148
437x55 mop_on012.5246
   
Orange: nodes, hubs and links specific of mop_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of mop_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 mop_off Recurrence mop_on Recurrence mop_off Hub1? mop_on Hub1? mop_off Hub2? mop_on Hub2? ConSurf1 ConSurf2
11x43 2x58 mop_off12.42821.54081NoNoNoNo68
22x58 2x61 mop_off10.91620NoNoNoNo86
31x42 2x57 mop_off13.91593.07844YesNoYesYes77
43x40 6x44 mop_off84.85640NoNoYesNo89
53x40 3x41 mop_off81.34860NoNoNoNo86
63x41 4x49 mop_off79.86090NoNoNoNo67
73x42 4x49 mop_off64.95920NoNoNoNo77
82x45 3x42 mop_off64.16090NoNoNoNo97
92x41 4x46 mop_off66.21712.59555NoNoNoNo67
102x41 4x42 mop_off64.29390NoNoNoNo67
112x42 4x42 mop_off63.31422.59555YesYesNoNo77
123x46 6x37 mop_off54.13970NoNoNoNo87
133x50 6x37 mop_off53.160NoNoNoNo97
143x50 6x33 mop_off51.06140NoNoNoNo97
152x39 6x33 mop_off50.1240NoNoNoNo87
162x37 2x39 mop_off48.9930NoNoNoNo88
172x37 2x40 mop_off47.83193.88538NoNoNoNo88
182x40 I1x50 mop_off28.87210NoNoNoNo87
198x53 I1x50 mop_off29.16840NoNoNoNo57
201x60 8x53 mop_off26.44690YesNoNoNo55
212x40 8x50 mop_off17.77447.71039NoNoYesYes89
223x38 4x49 mop_off14.15780NoYesNoNo77
233x38 4x50 mop_off12.57333.80913NoYesYesYes79
242x60 3x28 mop_off13.08130NoNoNoNo65
252x56 3x28 mop_off11.87780NoNoNoNo65
26E2 Lig mop_off38.71790YesYesYesYes40
27E1x50 E2 mop_off17.79260YesYesYesYes84
283x43 6x44 mop_off58.66950NoNoYesNo89
293x43 6x41 mop_off57.62930NoNoNoNo88
305x54 6x41 mop_off56.5770NoNoNoNo88
315x58 5x61 mop_off51.07350YesYesNoNo98
323x51 5x61 mop_off25.95710YesYesNoNo88
331x60 I1x48 mop_off13.80710YesNoNoNo56
34I1x48 I1x51 mop_off12.31930NoNoNoNo66
355x44 5x47 mop_off12.33140.149315NoYesYesYes58
365x47 6x49 mop_off10.83168.54592YesYesYesYes85
376x27 I3 mop_off14.81712.18572NoNoYesYes34
386x27 6x29 mop_off13.61350NoNoNoNo35
398x47 8x50 mop_off12.30723.88538NoNoYesYes89
402x60 Lig mop_off13.32931.27077NoNoYesYes60
416x44 7x45 mop_off15.92980.733869YesNoYesYes99
423x36 6x52 mop_off17.3450NoNoNoYes78
431x43 2x57 Shared13.92813.6639NoNoYesYes67
447x42 Lig Shared31.200517.867YesYesYesYes70
453x36 Lig Shared82.255863.71NoNoYesYes70
463x36 6x48 Shared10063.9197NoNoYesYes78
476x48 7x45 Shared14.3211100YesYesYesYes89
487x45 7x49 Shared20.840699.5489YesYesYesYes99
492x50 7x49 Shared12.331410.9858NoYesYesYes99
506x44 6x48 Shared86.096235.4227YesNoYesYes98
512x45 4x46 Shared67.160651.1199NoNoNoNo97
522x42 3x46 Shared55.246474.6164YesYesNoNo78
533x34 4x50 Shared10.831610.163YesYesYesYes49
546x52 Lig Shared10.517171.6777NoYesYesYes80
555x54 5x58 Shared54.18224.5322NoNoYesYes89
563x54 5x61 Shared27.263439.6829NoNoNoNo88
575x35 E2 Shared10.353818.8137NoNoYesYes34
585x47 6x52 Shared26.664612.8951YesYesNoYes88
593x54 5x65 Shared24.838237.6021NoNoNoNo88
605x65 I3 Shared23.453319.2935NoNoYesYes84
616x29 6x32 Shared12.125812.7013NoNoYesNo57
627x34 Lig Shared13.299121.9208YesYesYesYes50
632x57 7x42 Shared26.852117.1617YesYesYesYes77
647x34 7x35 mop_on5.3885711.6085YesYesNoYes54
651x43 1x47 mop_on010.6713NoNoNoNo66
666x48 6x52 mop_on074.2383YesYesNoYes88
677x49 7x53 mop_on5.987390.555YesYesYesYes99
683x46 7x53 mop_on075.309NoNoYesYes89
692x42 4x46 mop_on054.1697YesYesNoNo77
702x45 4x50 mop_on4.0459650.0905NoNoYesYes99
712x48 4x50 mop_on3.1508937.2431NoNoYesYes69
721x54 2x48 mop_on036.1311NoNoNoNo76
731x54 2x44 mop_on1.5784735.0129NoNoNoYes76
741x57 2x44 mop_on4.7112231.6199NoNoNoYes76
751x53 1x57 mop_on017.6542NoYesNoNo97
761x53 7x55 mop_on013.9753NoYesNoYes96
771x57 8x50 mop_on6.2594513.791NoNoYesYes79
782x42 3x49 mop_on7.5899621.0916YesYesNoNo78
793x32 Lig mop_on1.2760812.7013NoYesYesYes60
802x56 3x32 mop_on011.8912NoNoNoYes66
812x56 3x31 mop_on4.8563710.4267NoNoNoNo65
822x63 Lig mop_on045.5952NoNoYesYes60
832x63 E1x50 mop_on1.5845244.5468NoNoYesYes68
843x25 E1x50 mop_on1.5724231.1656NoNoYesYes98
853x25 E2 mop_on059.3703NoNoYesYes94
863x29 Lig mop_on034.1805NoNoYesYes50
873x29 E2x50 mop_on1.3486531.9408NoNoNoNo59
883x25 E2x50 mop_on0.0060477830.7907NoNoNoNo99
895x54 6x44 mop_on035.105NoNoYesNo89
903x47 5x54 mop_on1.3244610.0137NoNoNoNo98
913x47 5x57 mop_on012.8221NoNoNoNo97
923x49 I2x56 mop_on015.0268NoNoNoYes84
933x50 5x58 mop_on024.6053NoNoYesYes99
943x50 7x53 mop_on029.323NoNoYesYes99
953x51 5x57 mop_on9.3196211.5513YesYesNoNo87
963x50 5x61 mop_on041.5859NoNoNoNo98
975x36 E2 mop_on0.35077110.5188NoNoYesYes44
985x34 5x35 mop_on8.835816.1451NoNoNoNo33
995x34 5x38 mop_on1.5845213.4987NoNoNoNo34
1006x26 I3 mop_on5.6183910.8778NoNoYesYes44
1015x65 6x33 mop_on016.6661NoNoNoNo87
1026x29 6x33 mop_on014.8521NoNoNoNo57
1035x38 5x42 mop_on010.8111NoNoNoNo43

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
1x392x57Shared10.94334.541251022
1x397x42mop_off3.6401021
2x563x28mop_off4.7600022
2x577x42Shared7.426679.37751021
2x607x42Shared8.266678.4551111
2x60LigShared6.2511.78381110
2x63E1x50Shared10.54677.62750112
E1x49E2Shared9.896.971021
3x25E1x50Shared3.486.041122
E1x50E2x50Shared8.2716.9751122
3x22E2Shared11.69679.421121
3x25E2x50Shared7.287.281122
3x327x42Shared7.283338.051111
3x32LigShared15.03679.493751110
3x334x60Shared8.415.3651112
3x33LigShared6.436678.618751110
3x366x48Shared6.595.81751112
3x366x52mop_off3.5033301111
3x36LigShared7.763338.551110
3x375x43Shared5.245.89750021
E2E2Shared44.666731.7051111
E2E2x51Shared135.051251112
E2E2x52Shared4.463333.803751111
E2x52Ligmop_off6.0133301010
5x35E2Shared9.283337.206251121
5x36E2Shared12.058.01751111
5x406x55mop_off4.5533301011
5x43LigShared4.626675.636251110
5x476x52Shared15.848.061250121
6x51LigShared5.196674.6450110
6x52LigShared4.163333.661110
6x547x34Shared7.393336.753750021
6x547x37mop_off4.4800022
6x55LigShared16.16675.093751010
6x587x30mop_off4.9733300022
6x587x34Shared8.893339.860021
E3E3mop_off3.3866701011
7x30E3Shared7.5833311.19751021
7x347x35Shared5.293334.49751112
7x347x38Shared6.266676.313751111
7x34LigShared5.123333.6651110
7x38LigShared3.386676.151251110
7x42LigShared5.994.39251110
5x365x40Shared5.47.256251111
5x36Ligmop_off4.2901110
5x40Ligmop_off9.2166701010
E2Ligmop_off19.5201110
E3Ligmop_off6.1301010
3x29E2x50Shared3.273.4750112
5x445x47Shared3.216674.15250122
3x335x39mop_off3.1233301112
E1x50E2mop_off2.7766701121
4x63E2Shared2.576673.766251121
2x603x28mop_off2.3866701112
5x32E2Shared2.213.241250021
7x31E3mop_off1.8801021
5x376x59mop_off1.5633300022
1x397x35mop_on011.57121022
1x397x38mop_on06.79751021
2x563x32mop_on05.78250021
2x603x32mop_on04.733751111
2x63Ligmop_on04.750110
3x294x64mop_on03.85750112
3x29Ligmop_on05.16750110
5x39E2mop_on04.108750021
5x31E2mop_on04.1950121
5x446x52mop_on05.093750121
6x486x52mop_on07.27251121
6x517x37mop_on03.8850112
6x547x30mop_on05.213750022
3x28E1x50mop_on03.67750022
5x406x59mop_on03.41251012
3x25E2mop_on03.381121
5x375x40mop_on01.5750021
LigNTmop_on00.4451101
1x29NTmop_on00.38250021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
mop_off 7UL4-μ-Alvimopan
4DKL-μ-Beta-funaltrexamine
8QOT-μ-Nanobody E
mop_on 8F7Q-μ-Beta-endorphin-Gi1/&β;1/&γ;2
8EFQ-μ-Damgo-Gi1/&β;1/&γ;2
8F7R-μ-Endomorphin-Gi1/&β;1/&γ;2
8EF5-μ-Fentanyl-Gi1/&β;1/&γ;2
8EF6-μ-Morphine-Gi1/&β;1/&γ;2
8EFB-μ-Oliceridine-Gi1/&β;1/&γ;2
8EFO-μ-PZM21-Gi1/&β;1/&γ;2
8EFL-μ-SR17018-Gi1/&β;1/&γ;2
Network Difference
Value mop_off mop_on
Imin 3.28667 3.45
Number of Linked Nodes 264 260
Number of Specific Nodes 6 (2.27%) 2  (0.77%)
Number of Shared Nodes 258 (97.73%) 258  (99.23%)
Number of Links 286 281
Number of Specific Links 109 (38.11%) 104  (37.01%)
Number of Shared Links 177 (61.89%) 177  (62.99%)
Number of Hubs 28 36
Number of Specific Hubs 7 (25.00%) 15  (41.67%)
Number of Shared Hubs 21 (75.00%) 21  (58.33%)
Average % Shared Neighbours (Jaccard) 49.87
Average % Shared Neighbours (Otsuka) 58.59
Average % Shared Neighbours (Overlap Coefficient) 67.06
Average % Shared Cliques (k3-6) 56.52
Graphlets Similarity 0.469493
Paths Difference
Value mop_off mop_on
Number Of Nodes in MetaPath 62 59
Specific Nodes in MetaPath 27 (43.55%) 24  (40.68%)
Shared Nodes in MetaPath 258 (97.73%) 258  (97.73%)
Number Of Links MetaPath 63 61
Specific Links in MetaPath 42 (66.67%) 40  (65.57%)
Shared Links in MetaPath 177 (61.89%) 177  (61.89%)
Number of Shortest Paths 33361 62330
Length Of Smallest Path 3 3
Average Path Length 15.1767 14.1294
Length of Longest Path 43 33
Minimum Path Strength 0.51 0.37375
Average Path Strength 6.01726 5.71725
Maximum Path Strength 14.99 18.6969
Minimum Path Correlation 0.706667 0.70375
Average Path Correlation 0.929642 0.919873
Maximum Path Correlation 0.99 0.99125
Minimum % Of Corr. Nodes 3.22581 3.84615
Average % Of Corr. Nodes 48.0786 42.254
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 32.7675 45.6305
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 mop_off_on.zip<



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