Orange: nodes, hubs and links specific of m4_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m4_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 m4_off Avg Int. Strength m4_on Avg Int. Strength m4_off Num Of Links m4_on Num Of Links ConSurf
12x42 m4_off5.848334.71638
22x44 m4_off5.41256.5525428
32x53 m4_off6.2356.4375439
4E1x51 m4_off7.1163.41917535
53x50 m4_off6.936676.2875639
6E2x50 m4_off6.3589.0275529
75x51 m4_off4.1153.84667438
86x54 m4_off4.8553.09625427
97x34 m4_off9.5256.06417436
107x39 m4_off7.284.92417539
117x49 m4_off7.54758.83917439
128x56 m4_off2.0651.0175426
13I1x50 Shared8.3667.83438549
142x40 Shared5.1184.7625559
152x46 Shared4.8555.187459
162x50 Shared7.38.20375449
172x57 Shared6.064.894559
182x60 Shared7.531678.38938648
19E1x50 Shared8.381438.02708769
203x28 Shared8.7386.1045557
213x32 Shared9.097.45187449
223x33 Shared12.638.0115459
233x49 Shared8.9857.79875449
243x51 Shared6.48.54449
25I2x53 Shared7.6429.2155559
26I2x57 Shared9.1949.757559
274x57 Shared9.51759.629458
284x64 Shared5.59757.5725447
29E2.R178 Shared9.93755.66687445
30E2x52 Shared7.755.687457
31E2.Q188 Shared7.69255.97625448
325x47 Shared10.1188.35542569
336x30 Shared6.3354.1525449
346x44 Shared7.6365.0825559
356x48 Shared9.171436.81214779
366x51 Shared7.2486.66583569
377x38 Shared10.73838.832657
387x42 Shared6.4758.09813849
397x45 Shared7.238.33875449
408x50 Shared7.447.35125549
418x54 Shared4.664.62687449
42Lig Shared10.26646.2876811140
431x54 m4_on7.724.49687248
442x66 m4_on9.6752.961255
453x37 m4_on9.5555.91062249
46E2.F189 m4_on6.46.6575348
475x36 m4_on6.743333.67125347
485x48 m4_on8.254.713158
495x58 m4_on8.165.73208369
506x40 m4_on5.386673.80313349
51E3.I430 m4_on10.354.55375346
527x53 m4_on8.806675.7335359
538x53 m4_on7.023332.91812349
541x31 m4_on4.11.0075146
   
Orange: nodes, hubs and links specific of m4_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m4_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 m4_off Recurrence m4_on Recurrence m4_off Hub1? m4_on Hub1? m4_off Hub2? m4_on Hub2? ConSurf1 ConSurf2
11x39 7x39 m4_off10.57442.18622NoNoYesNo79
27x39 7x42 m4_off12.40060YesNoYesYes99
32x53 7x42 m4_off43.97670YesNoYesYes99
42x50 7x49 m4_off28.8611.58752YesYesYesNo99
56x40 7x49 m4_off90.51270NoYesYesNo99
61x57 2x44 m4_off13.94359.27045NoNoYesNo98
77x42 Lig m4_off53.62820YesYesYesYes90
88x53 I1x50 m4_off20.03340NoYesYesYes99
92x40 8x50 m4_off29.85762.82285YesYesYesYes99
108x50 8x54 m4_off27.11140YesYesYesYes99
111x56 8x57 m4_off33.80140NoNoNoNo97
128x57 CT.Y472 m4_off30.44650NoNoNoNo75
132x46 3x42 m4_off52.02577.29824YesYesNoNo99
142x45 3x42 m4_off51.16226.2715NoNoNoNo99
152x45 4x46 m4_off48.53772.11037NoNoNoNo99
162x42 4x46 m4_off47.65150YesNoNoNo89
172x42 3x49 m4_off20.60257.47975YesNoYesYes89
183x32 7x42 m4_off35.54264.31826YesYesYesYes99
192x60 3x28 m4_off59.85671.19741YesYesYesYes87
202x60 7x38 m4_off25.54857.68835YesYesYesYes87
212x63 E1x50 m4_off45.01011.09988NoNoYesYes89
223x28 E2x50 m4_off50.65260YesYesYesNo79
232x63 E2x50 m4_off52.39660NoNoYesNo89
242x63 E2.Q184 m4_off90.95443.48387NoNoNoNo85
25E2.P181 E2.Q184 m4_off77.99331.1649NoNoNoNo35
26E2.P181 E2.V180 m4_off71.55520NoNoNoNo35
27E2.R178 E2.V180 m4_off58.5949.73099YesYesNoNo55
283x22 E2.R178 m4_off13.05741.92886NoNoYesYes45
293x26 E2.R178 m4_off32.5843.72497NoNoYesYes85
304x57 Lig m4_off10.57445.05242YesYesYesYes80
313x37 4x57 m4_off12.08630.539105NoYesYesYes98
323x37 4x53 m4_off10.90295.15807NoYesNoNo99
336x44 6x48 m4_off23.49311.23534YesYesYesYes99
345x47 5x51 m4_off41.4061.12968YesYesYesNo98
355x51 6x45 m4_off59.61040YesNoNoNo88
366x41 6x45 m4_off38.940NoNoNoNo88
375x54 6x41 m4_off21.18290NoNoNoNo98
383x44 5x54 m4_off15.15810NoNoNoNo89
396x52 Lig m4_off22.32380NoNoYesYes90
405x47 6x52 m4_off21.89921.78799YesYesNoNo99
415x51 6x44 m4_off29.88871.9099YesNoYesYes89
423x44 5x50 m4_off12.13733.15607NoNoNoNo89
432x42 3x46 m4_off19.58890YesNoNoNo89
443x46 6x37 m4_off18.53290NoNoNoNo99
453x50 6x37 m4_off17.4570YesNoNoNo99
463x50 6x30 m4_off11.07560YesNoYesYes99
47E2.L190 E2x52 m4_off13.42832.19706NoNoYesYes57
48E2.F189 E2.L190 m4_off11.29360NoYesNoNo85
496x51 7x38 m4_off12.43451.66879YesYesYesYes97
506x51 7x34 m4_off41.71170YesYesYesNo96
516x58 7x34 m4_off10.24321.81779NoNoYesNo56
526x51 Lig m4_off20.71861.68233YesYesYesYes90
537x34 E3.I430 m4_off20.31378.72592YesNoNoYes66
546x57 E3.I430 m4_off18.83872.9556NoNoNoYes76
556x57 6x60 m4_off15.46390NoNoNoNo76
565x58 6x41 m4_off14.97694.56208NoYesNoNo98
576x36 6x40 m4_off10.58017.99176NoNoNoYes99
586x45 6x49 m4_off18.17331.63086NoNoNoNo87
596x49 6x50 m4_off15.15813.25901NoNoNoNo79
606x50 7x40 m4_off12.13731.63086NoNoNoNo99
616x54 7x34 m4_off10.15540YesNoYesNo76
628x56 CT.Y472 m4_off23.71960YesNoNoNo65
633x26 4x62 m4_off26.09212.83369NoNoNoNo86
644x62 4x63 m4_off13.06020NoNoNoNo67
652x60 7x42 m4_off36.99220YesYesYesYes89
663x29 E2x52 m4_off10.60843.21567NoNoYesYes87
677x38 Lig m4_off38.80989.47363YesYesYesYes70
683x32 7x38 m4_off23.06560YesYesYesYes97
696x48 7x41 m4_off14.00581.64712YesYesNoNo99
706x51 7x41 m4_off13.86141.19199YesYesNoNo99
712x53 7x46 Shared56.06325.7822YesNoNoNo99
722x50 7x46 Shared55.697725.8987YesYesNoNo99
736x40 7x53 Shared80.12850.0312NoYesNoYes99
742x43 7x53 Shared75.685934.4946NoNoNoYes89
752x40 2x43 Shared74.165533.6927YesYesNoNo98
761x57 2x40 Shared14.934510.2809NoNoYesYes99
776x48 Lig Shared10064.1183YesYesYesYes90
786x48 7x45 Shared67.308466.8193YesYesYesYes99
797x45 7x49 Shared76.662675.3312YesYesYesNo99
802x40 I1x50 Shared26.550820.1067YesYesYesYes99
811x56 8x53 Shared18.445111.2101NoNoNoYes99
821x56 8x54 Shared18.787710.1969NoNoYesYes99
832x46 2x50 Shared26.426226.8767YesYesYesYes99
843x28 E1x50 Shared75.855730.6504YesYesYesYes79
85E1x50 E1x51 Shared16.630321.5182YesYesYesNo95
863x33 E2x52 Shared21.604714.9432YesYesYesYes97
873x33 Lig Shared17.966612.5999YesYesYesYes90
885x47 6x48 Shared24.506711.7601YesYesYesYes99
893x49 I2x53 Shared16.386910.1211YesYesYesYes99
903x52 I2x53 Shared13.38332.4059NoNoYesYes79
913x51 3x52 Shared12.298633.8688YesYesNoNo97
922x57 7x42 Shared10.461217.1295YesYesYesYes99
933x28 3x32 Shared72.588532.6172YesYesYesYes79
942x46 7x49 Shared28.153273.8277YesYesYesNo99
952x53 2x56 Shared15.990525.7985YesNoNoNo99
962x56 3x32 Shared15.894216.5118NoNoYesYes99
972x46 3x43 m4_on0100YesYesNoNo99
983x43 7x53 m4_on099.8347NoNoNoYes99
991x60 I1x50 m4_on3.4738518.419NoNoYesYes89
1001x60 8x53 m4_on0.093428816.4739NoNoNoYes89
1013x50 7x53 m4_on041.4894YesNoNoYes99
1023x50 5x58 m4_on041.2456YesNoNoYes99
1033x47 5x58 m4_on059.2881NoNoNoYes99
1043x47 5x57 m4_on056.5519NoNoNoNo98
1053x51 5x57 m4_on2.2847648.1998YesYesNoNo98
106I2x53 I2x57 m4_on0.19535117.8609YesYesYesYes99
1075x58 6x40 m4_on043.2368NoYesNoYes99
1083x32 Lig m4_on023.4064YesYesYesYes90
1092x66 E1x51 m4_on3.3351316.2626NoYesYesNo55
110E2x51 Lig m4_on018.9527NoNoYesYes40
111E2.V180 E2x51 m4_on6.5315318.2564NoNoNoNo54
1123x51 3x55 m4_on5.6736810.9582YesYesNoNo99
113E2.F189 E2x52 m4_on013.4343NoYesYesYes87
1145x47 5x48 m4_on2.4716210.8851YesYesNoYes98
1155x58 6x37 m4_on019.657NoYesNoNo99
1165x62 6x37 m4_on018.3079NoNoNoNo89
1175x62 6x34 m4_on016.7881NoNoNoNo89
1186x30 6x34 m4_on010.6439YesYesNoNo99
1197x34 Lig m4_on011.2264YesNoYesYes60
1201x32 2x66 m4_on010.4841NoNoNoYes65

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
2x532x56Shared7.746.191022
2x537x42m4_off4.8401021
2x563x32Shared10.319.941121
2x567x42Shared7.636.99751121
2x577x39Shared8.144.36251022
2x577x42Shared4.797.781021
2x603x28Shared6.755.3051022
2x607x38Shared17.8717.62251021
2x607x39m4_off4.8201022
2x607x42m4_off5.9601021
3x283x32Shared13.44.18751021
3x327x38m4_off5.7501111
3x327x42Shared6.910.9151111
3x334x57Shared14.4713.86251111
3x33E2x52Shared10.885.65251112
3x337x38Shared4.965.461111
3x33LigShared20.218.631110
3x366x48m4_off4.9401011
3x36LigShared7.676.85751010
3x374x53Shared8.945.58750112
3x374x57Shared10.178.4750111
4x574x61m4_off4.701112
4x57LigShared8.7311.6451110
4x61E2x52Shared4.422.9450022
E2.V180E2x51Shared11.810.48750021
5x461LigShared5.033.00250010
5x475x48Shared8.259.031122
5x476x44Shared4.294.8251122
5x476x48Shared6.016.0151121
5x476x52Shared24.1717.21751121
6x446x48Shared19.047.5151121
6x447x45Shared4.834.22751122
6x476x48m4_off4.8501021
6x477x45Shared7.319.871022
6x487x41Shared11.758.16251111
6x487x45Shared4.529.041112
6x48LigShared13.098.991110
6x516x55Shared3.796.6251112
6x517x34m4_off6.7501111
6x517x38Shared8.946.4551111
6x517x41Shared4.034.031111
6x51LigShared12.7311.21110
6x52Ligm4_off11.400110
6x54E3.I430Shared7.294.00751022
6x547x34m4_off5.8201021
6x587x34Shared7.914.80250021
7x34E3.I430Shared17.628.5151012
7x387x42Shared8.946.71111
7x38LigShared17.977.92251110
7x397x42m4_off6.7501021
7x41LigShared7.094.91251110
7x42Ligm4_off5.9901110
3x414x53m4_off3.0700022
5x44Ligm4_off3.0200010
6x61E3.S428m4_off1.7200021
3x32Ligm4_on04.7651110
3x336x51m4_on06.45251111
3x373x41m4_on05.60750112
3x37Ligm4_on03.97250110
3x406x44m4_on04.58750122
3x406x48m4_on04.290121
4x564x57m4_on05.97750021
4x575x43m4_on08.1851112
6x486x52m4_on03.67251111
6x516x52m4_on05.23251111
E2x51Ligm4_on07.9250010
7x34Ligm4_on04.8751010
7x31Ligm4_on02.55750010
5x445x48m4_on02.00250012
E3.S428Ligm4_on00.77250010

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
m4_off 5DSG-M4-Tiotropium
m4_on 7TRS-M4-Acetylcholine-Gi1/&β;1/&γ;2
7TRK-M4-Iperoxo-Gi1/&β;1/&γ;2
8E9X-M4-2-Deoxycytidine-chim(NtGi1-Go)/&β;1/&γ;2
7V6A-M4-PubChem 9864275-Gi1/&β;1/&γ;2
Network Difference
Value m4_off m4_on
Imin 3.79 3.58
Number of Linked Nodes 270 277
Number of Specific Nodes 8 (2.96%) 15  (5.42%)
Number of Shared Nodes 262 (97.04%) 262  (94.58%)
Number of Links 305 306
Number of Specific Links 115 (37.70%) 116  (37.91%)
Number of Shared Links 190 (62.30%) 190  (62.09%)
Number of Hubs 42 42
Number of Specific Hubs 12 (28.57%) 12  (28.57%)
Number of Shared Hubs 30 (71.43%) 30  (71.43%)
Average % Shared Neighbours (Jaccard) 47.60
Average % Shared Neighbours (Otsuka) 55.57
Average % Shared Neighbours (Overlap Coefficient) 63.50
Average % Shared Cliques (k3-6) 58.54
Graphlets Similarity 0.6552
Paths Difference
Value m4_off m4_on
Number Of Nodes in MetaPath 85 50
Specific Nodes in MetaPath 47 (55.29%) 12  (24.00%)
Shared Nodes in MetaPath 262 (97.04%) 262  (97.04%)
Number Of Links MetaPath 96 50
Specific Links in MetaPath 70 (72.92%) 24  (48.00%)
Shared Links in MetaPath 190 (62.30%) 190  (62.30%)
Number of Shortest Paths 93945 63257
Length Of Smallest Path 3 3
Average Path Length 14.8862 13.963
Length of Longest Path 30 29
Minimum Path Strength 1.185 0.38625
Average Path Strength 7.5625 6.2759
Maximum Path Strength 18.5933 15.1962
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.932059 0.915009
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.16667 3.7037
Average % Of Corr. Nodes 47.7524 41.0635
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 50.2432 49.0896
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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