Orange: nodes, hubs and links specific of m3_on network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m3_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 m3_on Avg Int. Strength m3_off Avg Int. Strength m3_on Num Of Links m3_off Num Of Links ConSurf
11x57 m3_on33.33330539
22x40 m3_on10033.3333539
32x53 m3_on00439
42x64 m3_on00428
53x26 m3_on33.33330418
64x46 m3_on00439
74x62 m3_on00437
85x36 m3_on33.33330438
95x48 m3_on33.33330438
105x58 m3_on33.33330639
115x62 m3_on00417
126x36 m3_on00419
136x40 m3_on00439
146x49 m3_on00438
156x59 m3_on66.66670428
168x54 m3_on33.33330539
17I1x50 Shared100100449
182x42 Shared100100558
192x50 Shared33.333333.3333449
202x57 Shared066.6667559
212x60 Shared33.3333100468
22E1x50 Shared66.6667100579
233x28 Shared66.6667100458
243x37 Shared33.33330449
253x51 Shared100100549
26I2x57 Shared100100459
274x57 Shared100100559
28E2 Shared10010012136
29E2x52 Shared33.3333100448
305x47 Shared100100669
316x44 Shared10066.6667469
326x48 Shared100100769
33E3 Shared100100676
347x39 Shared100100578
357x42 Shared100100679
367x45 Shared66.6667100459
377x53 Shared66.666766.6667649
388x50 Shared33.333366.6667449
39Lig Shared10010012130
401x39 m3_off00248
412x551 m3_off00346
423x29 m3_off033.3333348
433x32 m3_off33.3333100359
443x33 m3_off33.333366.6667349
453x49 m3_off33.3333100359
463x53 m3_off00149
47I2x53 m3_off66.666766.6667349
484x50 m3_off33.33330249
495x65 m3_off00149
506x47 m3_off00249
517x34 m3_off0100246
527x38 m3_off100100367
537x49 m3_off66.666733.3333349
548x53 m3_off00349
   
Orange: nodes, hubs and links specific of m3_on network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m3_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 m3_on Recurrence m3_off Recurrence m3_on Hub1? m3_off Hub1? m3_on Hub2? m3_off Hub2? ConSurf1 ConSurf2
12x57 7x39 m3_on17.90582.38049YesYesYesYes98
21x50 2x51 m3_on57.44040NoNoNoNo98
31x51 2x51 m3_on56.03842.08212NoNoNoNo78
41x51 1x55 m3_on54.75280NoNoNoNo76
51x54 1x55 m3_on53.70560NoNoNoNo66
61x54 2x44 m3_on51.65794.2745NoNoNoNo68
71x57 2x44 m3_on51.02396.37608YesNoNoNo98
81x57 2x40 m3_on47.12620YesNoYesNo99
92x40 I1x50 m3_on32.33280YesNoYesYes99
101x60 8x53 m3_on23.58350.616203NoNoNoYes89
112x46 7x49 m3_on85.17740NoNoNoYes99
122x46 3x43 m3_on84.53750NoNoNoNo99
133x43 7x53 m3_on83.92090NoNoYesYes99
143x46 7x53 m3_on34.88070NoNoYesYes99
152x42 3x46 m3_on40.13382.41941YesYesNoNo89
163x49 I2x57 m3_on21.54744.64422NoYesYesYes99
177x42 Lig m3_on34.93310YesYesYesYes90
182x39 2x40 m3_on20.54680NoNoYesNo99
19I2x54 I2x57 m3_on23.92670NoNoYesYes89
202x60 2x64 m3_on34.0142.59454YesYesYesNo88
212x64 7x35 m3_on20.18030.00648635YesNoNoNo86
223x26 E2 m3_on13.5020YesNoYesYes86
233x40 5x50 m3_on12.09426.25932NoNoNoNo99
245x58 7x53 m3_on52.78650YesNoYesYes99
253x47 5x58 m3_on30.29670NoNoYesNo99
263x47 5x57 m3_on28.02790NoNoNoNo98
273x51 5x57 m3_on25.91040YesYesNoNo98
283x51 3x55 m3_on22.68762.76318YesYesNoNo98
293x55 3x56 m3_on14.25830NoNoNoNo88
303x56 I2x52 m3_on10.70975.51988NoNoNoNo87
315x41 6x59 m3_on15.20656.14257NoNoYesNo88
325x47 6x52 m3_on13.71157.53713YesYesNoNo99
335x58 6x37 m3_on29.2030YesNoNoNo99
346x40 7x53 m3_on10.70972.2313YesNoYesYes99
355x62 6x37 m3_on27.16110YesNoNoNo79
365x62 5x66 m3_on18.92380YesNoNoNo77
375x66 5x69 m3_on12.90870NoNoNoNo77
387x34 7x35 m3_on17.25420NoYesNoNo66
396x58 7x34 m3_on15.73011.83564NoNoNoYes76
406x58 E3 m3_on14.33970NoNoYesYes76
418x53 8x57 m3_on22.32690NoYesNoNo98
428x57 8x58 m3_on18.37110NoNoNoNo89
438x55 8x58 m3_on16.37580NoNoNoNo79
448x51 8x55 m3_on12.35022.14049NoNoNoNo97
458x48 8x51 m3_on10.324.2745NoNoNoNo79
462x64 2x65 m3_on12.30950YesNoNoNo87
473x34 4x53 m3_on12.66430NoNoNoNo99
482x39 I2x54 m3_on21.18090NoNoNoNo98
491x38 1x42 Shared11.419436.3689NoNoNoNo57
501x42 7x39 Shared14.118740.4748NoNoYesYes78
512x57 7x42 Shared28.347925.5757YesYesYesYes99
522x53 7x42 Shared44.874926.127YesNoYesYes99
532x53 7x46 Shared44.96827.1YesNoNoNo99
542x50 7x46 Shared45.078526.2892YesYesNoNo99
551x50 2x50 Shared64.508414.7759NoNoYesYes99
562x40 8x50 Shared22.233971.1293YesNoYesYes99
578x50 8x54 Shared19.371720.8147YesYesYesNo99
581x60 I1x50 Shared27.132131.3291NoNoYesYes89
592x50 7x49 Shared45.811534.0144YesYesNoYes99
602x42 3x49 Shared26.97584.5495YesYesNoYes89
616x48 Lig Shared80.465466.2969YesYesYesYes90
626x48 7x45 Shared81.250747.0065YesYesYesYes99
637x45 7x49 Shared10066.8548YesYesNoYes99
642x60 7x39 Shared12.827228.4426YesYesYesYes88
652x60 7x38 Shared48.563130.7193YesYesNoYes87
667x38 Lig Shared36.806344.8401NoYesYesYes70
672x42 4x46 Shared11.617295.5244YesYesYesNo89
682x60 3x28 Shared19.197211.2862YesYesYesYes88
693x28 E1x50 Shared11.204211.2084YesYesYesYes89
70E2 E2x52 Shared41.745217.0072YesYesYesYes68
713x33 Lig Shared39.778911.1825NoYesYesYes90
723x37 Lig Shared22.751650.4249YesYesYesYes90
733x37 4x53 Shared20.878457.229YesYesNoNo99
745x47 6x48 Shared25.840616.1964YesYesYesYes99
755x47 5x48 Shared32.873811.4679YesYesYesNo98
765x48 6x56 Shared23.990718.1358YesNoNoNo87
775x41 6x56 Shared21.2115.2689NoNoNoNo87
786x52 Lig Shared13.6317.9412NoNoYesYes90
795x47 6x49 Shared12.187310.1122YesYesYesNo98
803x34 4x54 Shared10.581712.3176NoNoNoNo95
817x38 7x42 Shared12.914536.1095NoYesYesYes79
823x33 E2x52 Shared40.692322.1184NoYesYesYes98
836x44 7x45 Shared18.260621.0612YesYesYesYes99
845x47 6x44 Shared13.868510.5209YesYesYesYes99
853x32 Lig m3_off1.7219344.9893NoYesYesYes90
866x51 Lig m3_off3.5427615.3791NoNoYesYes90
871x34 1x38 m3_off8.5805731.8674NoNoNoNo45
887x39 7x42 m3_off048.706YesYesYesYes89
893x32 7x42 m3_off0.64572426.0492NoYesYesYes99
901x39 7x39 m3_off8.4060512.0451NoYesYesYes88
912x61 7x39 m3_off016.1834NoNoYesYes98
921x46 7x47 m3_off4.1012210.5792NoNoNoNo98
931x46 2x57 m3_off6.1372914.0819NoNoYesYes99
942x551 2x59 m3_off014.3413NoYesNoNo68
952x59 3x28 m3_off3.3100615.7878NoNoYesYes88
963x28 3x32 m3_off024.0514YesYesNoYes89
971x52 8x54 m3_off1.9720812.6419NoNoYesNo89
982x40 2x43 m3_off074.4179YesNoNoNo99
992x43 7x53 m3_off1.8324675.7865NoNoYesYes99
1007x49 7x53 m3_off075.5659NoYesYesYes99
1011x57 I1x51 m3_off4.1128624.0643YesNoNoNo98
102I1x48 I1x51 m3_off2.0593426.0557NoNoNoNo88
103I1x48 I1x49 m3_off028.034NoNoNoNo88
1041x60 I1x49 m3_off2.2513129.9994NoNoNoNo88
1058x50 I1x50 m3_off0.44793546.8055YesYesYesYes99
1068x53 I1x50 m3_off012.0581NoYesYesYes99
1071x57 2x41 m3_off3.792915.9564YesNoNoNo98
1082x45 4x46 m3_off5.85806100NoNoYesNo99
1092x45 4x50 m3_off053.3048NoNoNoYes99
1103x38 4x50 m3_off4.2641154.1805NoNoNoYes99
1113x38 4x53 m3_off6.3816255.6399NoNoNoNo99
1123x39 7x45 m3_off036.9008NoNoYesYes99
1132x46 3x39 m3_off057.6831NoNoNoNo99
1142x46 3x42 m3_off056.1588NoNoNoNo99
115E1x49 E2 m3_off7.7254214.03NoNoYesYes56
1164x57 E2 m3_off047.4152YesYesYesYes96
1174x57 Lig m3_off6.678338.7948YesYesYesYes90
1183x28 3x29 m3_off6.8760911.6106YesYesNoYes88
1193x30 4x62 m3_off1.9488111.6819NoNoYesNo77
1203x30 4x61 m3_off014.5229NoNoNoNo78
1213x33 7x38 m3_off018.3758NoYesNoYes97
1226x44 6x48 m3_off0.71553216.5661YesYesYesYes99
1233x37 3x41 m3_off2.1349610.923YesYesNoNo98
1245x54 6x44 m3_off018.1034NoNoYesYes99
1253x49 I2x53 m3_off4.2990156.3599NoYesNoYes99
1263x52 I2x53 m3_off9.0226955.4323NoNoNoYes79
1273x48 3x52 m3_off010.8517NoNoNoNo87
1283x49 3x53 m3_off015.3662NoYesNoYes99
1293x51 3x52 m3_off8.9121642.6088YesYesNoNo97
1303x51 5x61 m3_off1.844129.7464YesYesNoNo99
1315x61 5x65 m3_off027.1064NoNoNoYes99
1325x65 6x30 m3_off013.7121NoYesNoNo99
1333x54 6x30 m3_off010.9944NoNoNoNo89
1343x53 I2x54 m3_off1.9255413.7121NoYesNoNo98
135I2x50 I2x54 m3_off010.9944NoNoNoNo98
1362x41 4x39 m3_off1.7510212.0841NoNoNoNo88
1374x39 4x40 m3_off010.3068NoNoNoNo85
1383x34 4x57 m3_off014.7435NoNoYesYes99
1395x39 E2 m3_off1.7684711.1371NoNoYesYes86
1405x54 6x41 m3_off014.4321NoNoNoNo99
1415x58 6x41 m3_off4.2059310.3717YesNoNoNo99
1426x40 7x49 m3_off014.2635YesNoNoYes99
1436x40 7x52 m3_off1.7859214.5229YesNoNoNo99
1446x51 7x34 m3_off020.3477NoNoNoYes96
1457x34 E3 m3_off014.5294NoYesYesYes66
1461x28 1x31 m3_off1.4717922.8255NoNoNoNo07
1471x31 1x34 m3_off027.3529NoNoNoNo74
1482x61 2x65 m3_off012.136NoNoNoNo97
1491x28 1x30 m3_off018.285NoNoNoNo04
1501x29 1x30 m3_off013.7316NoNoNoNo44
1512x50 3x39 m3_off1.9662631.848YesYesNoNo99
1524x61 E2x52 m3_off1.5881313.5046NoNoYesYes88
1533x33 4x57 m3_off2.6119813.2257NoYesYesYes99
1543x37 4x57 m3_off2.1582316.138YesYesYesYes99
1552x45 3x42 m3_off3.9150754.8875NoNoNoNo99

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
3x32LigShared3.7933311.031110
3x33LigShared17.81676.323331110
3x36LigShared8.016677.033330010
3x37LigShared3.813334.836671110
4x57LigShared4.1133315.80671110
5x461LigShared5.033.350010
6x48LigShared13.668.676671110
6x51LigShared10.793315.62671110
6x52LigShared9.415.186671110
7x38LigShared16.593313.58671110
7x41LigShared6.446676.483331110
2x532x56Shared4.126676.193331122
2x537x42Shared4.836675.643331121
2x563x32Shared11.299.323331121
2x567x42Shared6.783334.663331121
2x577x39Shared7.756673.876671022
2x577x42Shared4.395.983331021
2x603x28Shared7.016674.011022
2x607x38Shared17.53678.943331021
2x607x39Shared4.343334.006671022
2x607x42m3_off6.5333301021
3x283x32m3_off4.8401021
3x327x38m3_off6.5166701111
3x327x42Shared11.106710.72671111
3x334x57Shared12.2215.02331111
3x33E2x52Shared9.673.913331112
3x337x38m3_off3.6401111
3x374x53Shared8.947.451112
3x374x57Shared7.917.533331111
3x406x44Shared3.493337.430122
4x57E2m3_off5.5766701112
E2E2Shared56.506735.34671122
E2E2x52Shared16.4814.331122
5x475x48Shared7.566677.566671122
5x476x44Shared4.643335.716671122
5x476x48Shared6.013337.016671121
5x476x52Shared27.386716.51331121
5x486x52m3_off4.6501021
6x446x48Shared17.70338.021121
6x447x45Shared4.835.233331122
6x476x48Shared4.855.656671121
6x477x45Shared8.286675.851122
6x487x41Shared13.063311.75331111
6x487x45Shared6.026676.781112
6x517x34m3_off8.0366701112
6x517x38m3_off8.6066701111
7x387x42Shared8.936677.281111
7x397x42m3_off7.7166701021
5x43Ligm3_off3.1100010
3x373x41Shared2.83.741112
5x44Ligm3_off2.3566700010
3x344x57m3_off1.6366700021
3x406x48m3_on04.90121
4x564x57m3_on05.313330021
4x575x43m3_on010.10671111
6x516x52m3_on05.041111
6x516x55m3_on06.311112
7x42Ligm3_on05.226671110
5x445x48m3_on02.223330012
3x344x53m3_on01.616670022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
m3_off 4U15-M3-Tiotropium
4U16-M3-N-Methyl-Scopolamine
5ZHP-M3-PubChem 134828589
m3_on 8E9Z-M3-Iperoxo-chim(NtGi2L-Gs-CtGq)/β1/γ2
8E9W-M3-2-Deoxycytidine-chim(NtGi2L-Gs-CtGq)/β1/γ2
8E9Y-M3-Clozapine-N-oxide-chim(NtGi2L-Gs-CtGq)/β1/γ2
Network Difference
Value m3_on m3_off
Imin 3.75 3.29333
Number of Linked Nodes 264 257
Number of Specific Nodes 9 (3.41%) 2  (0.78%)
Number of Shared Nodes 255 (96.59%) 255  (99.22%)
Number of Links 296 297
Number of Specific Links 112 (37.84%) 113  (38.05%)
Number of Shared Links 184 (62.16%) 184  (61.95%)
Number of Hubs 39 38
Number of Specific Hubs 16 (41.03%) 15  (39.47%)
Number of Shared Hubs 23 (58.97%) 23  (60.53%)
Average % Shared Neighbours (Jaccard) 46.10
Average % Shared Neighbours (Otsuka) 55.43
Average % Shared Neighbours (Overlap Coefficient) 65.86
Average % Shared Cliques (k3-6) 56.71
Graphlets Similarity 0.639778
Paths Difference
Value m3_on m3_off
Number Of Nodes in MetaPath 80 96
Specific Nodes in MetaPath 30 (37.50%) 46  (47.92%)
Shared Nodes in MetaPath 255 (96.59%) 255  (96.59%)
Number Of Links MetaPath 84 107
Specific Links in MetaPath 48 (57.14%) 71  (66.36%)
Shared Links in MetaPath 184 (62.16%) 184  (62.16%)
Number of Shortest Paths 45822 52018
Length Of Smallest Path 3 3
Average Path Length 13.3567 12.4032
Length of Longest Path 34 35
Minimum Path Strength 0.7 0.506667
Average Path Strength 6.13667 6.42766
Maximum Path Strength 15.7167 20.1283
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.924269 0.914551
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.34783 4
Average % Of Corr. Nodes 48.476 47.0683
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 43.964 47.7882
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 m3_off_on.zip<



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