Orange: nodes, hubs and links specific of muscarinic_on network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of muscarinic_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 muscarinic_on Avg Int. Strength muscarinic_off Avg Int. Strength muscarinic_on Num Of Links muscarinic_off Num Of Links ConSurf
11x31 muscarinic_on00435
22x65 muscarinic_on00436
32x66 muscarinic_on00436
43x37 muscarinic_on56.2540439
53x49 muscarinic_on5040439
64x50 muscarinic_on00439
74x62 muscarinic_on00436
85x48 muscarinic_on250538
95x66 muscarinic_on00517
106x40 muscarinic_on00439
116x51 muscarinic_on7540538
126x59 muscarinic_on16.66670427
131x57 Shared8.333330548
141x60 Shared2520448
152x40 Shared37.540459
162x42 Shared5093.3333458
172x50 Shared5086.6667549
182x57 Shared12.560559
192x60 Shared77.0833100568
20E1x50 Shared91.6667100669
213x28 Shared79.166793.3333457
223x33 Shared68.7593.3333548
233x51 Shared62.580549
24I2x53 Shared5053.3333449
25I2x57 Shared100100468
264x46 Shared020449
274x57 Shared10093.3333548
28E2 Shared10010011175
29E2x52 Shared8.33333100447
305x47 Shared100100659
315x58 Shared77.08330549
326x31 Shared00447
336x44 Shared7586.6667449
346x48 Shared100100779
35E3 Shared68.75100875
367x34 Shared0100446
377x38 Shared68.7580667
387x39 Shared7560669
397x42 Shared100100789
407x53 Shared91.666733.3333449
418x50 Shared58.333393.3333449
42Lig Shared10010011130
43CT Shared2520650
441x39 muscarinic_off00247
45I1x50 muscarinic_off37.580359
46E1x49 muscarinic_off00244
473x32 muscarinic_off12.593.3333359
483x50 muscarinic_off040359
493x52 muscarinic_off040246
503x56 muscarinic_off00347
515x57 muscarinic_off00348
526x30 muscarinic_off00259
537x45 muscarinic_off29.166780359
548x54 muscarinic_off8.3333320349
   
Orange: nodes, hubs and links specific of muscarinic_on network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of muscarinic_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 muscarinic_on Recurrence muscarinic_off Recurrence muscarinic_on Hub1? muscarinic_off Hub1? muscarinic_on Hub2? muscarinic_off Hub2? ConSurf1 ConSurf2
12x61 2x65 muscarinic_on13.13670NoNoYesNo76
21x39 2x61 muscarinic_on14.52181.60415NoYesNoNo77
32x56 7x42 muscarinic_on25.41030.521347NoNoYesYes89
42x53 2x56 muscarinic_on27.150.761969NoNoNoNo88
52x46 2x50 muscarinic_on29.78920NoNoYesYes99
62x46 3x43 muscarinic_on99.98840NoNoNoNo99
73x43 7x53 muscarinic_on1000NoNoYesYes99
83x50 7x53 muscarinic_on48.4530NoYesYesYes99
93x50 5x58 muscarinic_on48.51850NoYesYesYes99
103x47 5x58 muscarinic_on79.24020NoNoYesYes99
11I2x53 I2x57 muscarinic_on46.42063.32243YesYesYesYes98
122x38 I2x57 muscarinic_on45.98331.35427NoNoYesYes78
132x38 4x39 muscarinic_on45.24160NoNoNoNo75
142x41 4x39 muscarinic_on40.60841.27715NoNoNoNo85
151x57 2x41 muscarinic_on39.67022.74247YesYesNoNo88
168x50 I1x50 muscarinic_on24.25830.410291YesYesNoYes99
171x60 8x53 muscarinic_on14.59310.243707YesYesNoNo88
181x56 8x53 muscarinic_on13.55094.4114NoNoNoNo98
191x56 8x54 muscarinic_on12.50484.43917NoNoNoYes99
202x46 7x49 muscarinic_on70.1510NoNoNoNo99
215x58 6x40 muscarinic_on49.6340YesYesYesNo99
222x60 3x28 muscarinic_on26.4682.7579YesYesYesYes87
232x60 7x38 muscarinic_on12.94215.47261YesYesYesYes87
243x28 E1x50 muscarinic_on22.89246.32404YesYesYesYes79
25E2 E2x52 muscarinic_on20.73671.32651YesYesYesYes57
263x33 E2x52 muscarinic_on20.77143.63401YesYesYesYes87
273x33 Lig muscarinic_on16.18053.32552YesYesYesYes80
285x58 6x37 muscarinic_on25.35450YesYesNoNo99
295x62 6x37 muscarinic_on24.35660NoNoNoNo89
305x62 5x66 muscarinic_on19.30922.54812NoNoYesNo87
31E1x50 E1x51 muscarinic_on10.62260YesYesNoNo94
322x60 7x42 muscarinic_on19.54235.48186YesYesYesYes89
337x38 Lig muscarinic_on16.73543.8808YesYesYesYes70
341x39 7x39 Shared15.662320.9033NoYesYesYes79
357x39 7x42 Shared22.957930.2227YesYesYesYes99
362x53 7x46 Shared27.406220.9279NoNoNoNo89
372x50 7x46 Shared27.550720.9249YesYesNoNo99
383x47 5x57 Shared77.710640.0759NoNoNoYes98
393x51 5x57 Shared74.605122.7233YesYesNoYes98
403x51 3x52 Shared63.250428.381YesYesNoYes96
413x52 I2x53 Shared62.410458.4865NoYesYesYes69
421x57 2x40 Shared31.05324.0344YesYesYesYes89
432x40 8x50 Shared28.111323.0596YesYesYesYes99
441x60 I1x50 Shared22.295210.4269YesYesNoYes89
457x42 Lig Shared28.348231.2469YesYesYesYes90
466x48 Lig Shared63.851475.5892YesYesYesYes90
476x48 7x45 Shared70.49280.0531YesYesNoYes99
487x45 7x49 Shared71.19952.9245NoYesNoNo99
496x40 7x53 Shared51.125172.0478YesNoYesYes99
503x49 I2x53 Shared13.444957.2217YesNoYesYes99
512x42 3x49 Shared12.816982.3205YesYesYesNo89
525x47 6x48 Shared11.356612.1576YesYesYesYes99
531x31 1x35 muscarinic_off010.5812YesNoNoNo56
541x35 1x39 muscarinic_off016.569NoNoNoYes67
552x53 7x42 muscarinic_off020.2955NoNoYesYes89
562x50 7x49 muscarinic_off1.2522227.7517YesYesNoNo99
576x40 7x49 muscarinic_off075.4288YesNoNoNo99
582x43 7x53 muscarinic_off065.6034NoNoYesYes89
592x40 2x43 muscarinic_off1.0903964.4435YesYesNoNo98
608x50 8x54 muscarinic_off012.6172YesYesNoYes99
611x57 2x44 muscarinic_off5.4211317.2785YesYesNoNo87
621x54 2x44 muscarinic_off4.3442214.4651NoNoNoNo77
632x40 I1x50 muscarinic_off018.1885YesYesNoYes99
642x50 3x39 muscarinic_off0.78215332.376YesYesNoNo99
652x46 3x39 muscarinic_off0100NoNoNoNo99
662x46 3x42 muscarinic_off099.2133NoNoNoNo99
672x45 3x42 muscarinic_off1.0846198.4205NoNoNoNo99
682x45 4x46 muscarinic_off5.4211395.1876NoNoYesYes99
692x42 4x46 muscarinic_off8.6287392.6981YesYesYesYes89
703x49 I2x57 muscarinic_off1.1982724.4077YesNoYesYes98
713x39 7x45 muscarinic_off072.5475NoNoNoYes99
722x39 I2x57 muscarinic_off0.89388922.9054NoNoYesYes98
732x42 3x45 muscarinic_off2.1788511.8244YesYesNoNo88
741x54 2x51 muscarinic_off011.6208NoNoNoNo78
754x57 Lig muscarinic_off2.6720332.7739YesYesYesYes80
764x57 E2 muscarinic_off024.2134YesYesYesYes85
77E1x49 E2 muscarinic_off010.5195NoYesYesYes45
785x43 Lig muscarinic_off022.8714NoNoYesYes90
795x43 E2 muscarinic_off022.2143NoNoYesYes95
804x65 E2 muscarinic_off1.7492512.2069NoNoYesYes75
814x65 4x66 muscarinic_off0.96709610.6676NoNoNoNo76
823x37 4x57 muscarinic_off0.76096211.7319YesNoYesYes98
833x48 3x52 muscarinic_off023.4606NoNoNoYes76
843x48 5x57 muscarinic_off3.2692522.2791NoNoNoYes78
853x47 5x54 muscarinic_off1.0923237.6172NoNoNoNo99
863x44 5x54 muscarinic_off010.1647NoNoNoNo79
872x39 3x50 muscarinic_off021.6313NoNoNoYes99
883x50 6x30 muscarinic_off016.9731NoYesNoYes99
893x45 4x45 muscarinic_off1.0903910.5442NoNoNoNo88
905x47 5x51 muscarinic_off0.90737514.0116YesYesNoNo97
915x54 6x41 muscarinic_off025.2314NoNoNoNo98
925x58 6x41 muscarinic_off2.1557420.2338YesYesNoNo98
935x51 6x45 muscarinic_off010.0383NoNoNoNo77
946x51 Lig muscarinic_off1.38911.9848YesNoYesYes80
956x51 7x34 muscarinic_off014.0949YesNoYesYes86
962x57 7x42 muscarinic_off9.892512.0157YesYesYesYes99

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
2x532x56Shared6.6044.645831022
2x537x42muscarinic_off5.2393301021
2x563x32Shared10.70139.970831121
2x567x42Shared7.037335.460211121
2x577x39Shared6.280677.002291122
2x577x42Shared6.3867.030831121
2x603x28Shared6.482674.498751122
2x607x38Shared18.53212.10151121
2x607x39Shared3.696674.015421122
2x607x42Shared6.469334.332921121
3x283x32muscarinic_off8.18800021
3x327x38muscarinic_off4.6766701111
3x327x42Shared9.59.722921111
3x32LigShared4.624677.821251110
3x334x57Shared14.01814.69651111
3x33E2x52Shared9.266677.226461112
3x337x38Shared4.102674.923331111
3x33LigShared19.961310.34211110
3x366x48muscarinic_off4.7773301011
3x36LigShared8.931338.347711010
3x374x53Shared8.3085.821880112
3x374x57Shared9.218.734580111
4x57E2muscarinic_off4.4333301112
4x57LigShared5.6193310.14851110
E2E2Shared52.412732.60421122
E2E2x52Shared16.444712.48871122
5x43E2muscarinic_off4.8606701012
5x43Ligmuscarinic_off3.9801010
5x461LigShared4.477332.426880010
5x475x48Shared7.426679.049171122
5x476x44Shared4.574674.242921122
5x476x48Shared5.5465.762921121
5x476x52Shared25.21418.40021121
5x486x52muscarinic_off4.18601021
6x446x48Shared18.1068.393751121
6x447x45muscarinic_off4.6693301122
6x476x48Shared4.6084.672921121
6x477x45Shared7.993338.68251122
6x487x41Shared13.1469.223961111
6x487x45Shared7.0069.88751112
6x48LigShared12.67210.6711110
6x517x34muscarinic_off6.6226701112
6x517x38Shared7.6785.006251111
6x51LigShared14.52411.30481110
6x52Ligmuscarinic_off10.417301010
7x387x42Shared7.613335.23251111
7x38LigShared15.86679.633541110
7x397x42Shared5.079338.479581121
7x41LigShared6.130675.336461110
7x42LigShared4.477334.724171110
3x373x41Shared3.3565.799380112
5x44Ligmuscarinic_off2.1373300010
3x336x51muscarinic_on05.168961111
3x406x48muscarinic_on05.0550121
4x564x57muscarinic_on05.670210021
4x575x43muscarinic_on07.907921111
6x516x52muscarinic_on05.765621111
6x516x55muscarinic_on06.073751112
7x347x38muscarinic_on04.199791121
3x37Ligmuscarinic_on04.809790110
3x406x44muscarinic_on03.986880122
5x445x48muscarinic_on01.388960012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
muscarinic_off m2_off
m3_off
m4_off
m5_off
m1_off
muscarinic_on m2_on
m3_on
m4_on
m1_on
Network Difference
Value muscarinic_on muscarinic_off
Imin 3.58562 3.58533
Number of Linked Nodes 274 272
Number of Specific Nodes 5 (1.82%) 3  (1.10%)
Number of Shared Nodes 269 (98.18%) 269  (98.90%)
Number of Links 307 312
Number of Specific Links 97 (31.60%) 102  (32.69%)
Number of Shared Links 210 (68.40%) 210  (67.31%)
Number of Hubs 43 42
Number of Specific Hubs 12 (27.91%) 11  (26.19%)
Number of Shared Hubs 31 (72.09%) 31  (73.81%)
Average % Shared Neighbours (Jaccard) 55.40
Average % Shared Neighbours (Otsuka) 63.11
Average % Shared Neighbours (Overlap Coefficient) 70.69
Average % Shared Cliques (k3-6) 60.14
Graphlets Similarity 0.724981
Paths Difference
Value muscarinic_on muscarinic_off
Number Of Nodes in MetaPath 50 60
Specific Nodes in MetaPath 19 (38.00%) 29  (48.33%)
Shared Nodes in MetaPath 269 (98.18%) 269  (98.18%)
Number Of Links MetaPath 52 63
Specific Links in MetaPath 33 (63.46%) 44  (69.84%)
Shared Links in MetaPath 210 (68.40%) 210  (68.40%)
Number of Shortest Paths 76140 68142
Length Of Smallest Path 3 3
Average Path Length 17.9167 14.7437
Length of Longest Path 41 34
Minimum Path Strength 0.323854 0.233667
Average Path Strength 6.29848 6.32654
Maximum Path Strength 14.6786 19.5423
Minimum Path Correlation 0.703125 0.700667
Average Path Correlation 0.922975 0.909722
Maximum Path Correlation 0.988333 0.988
Minimum % Of Corr. Nodes 2.7027 3.84615
Average % Of Corr. Nodes 38.1199 41.7687
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 45.4897 45.9844
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 muscarinic_off_on.zip<



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