Orange: nodes, hubs and links specific of m1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m1_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 m1_off Avg Int. Strength m1_on Avg Int. Strength m1_off Num Of Links m1_on Num Of Links ConSurf
1NT.K20 m1_off4.5250405
22x42 m1_off6.4458.50333438
32x53 m1_off5.425.72667538
42x57 m1_off6.2510.055428
53x32 m1_off7.76259.73439
63x50 m1_off5.5856.81333439
73x51 m1_off6.1612.89638
83x52 m1_off7.327511.35417
93x56 m1_off5.884.015427
104x50 m1_off5.59255.71667439
11E2.L183 m1_off6.567.14417
125x41 m1_off5.97254.925427
135x68 m1_off5.74.86518
146x47 m1_off4.2154.70667438
15E3.V395 m1_off5.9753.285426
168x54 m1_off6.69254.93333439
171x39 Shared5.71754.6925446
181x50 Shared6.85.505449
191x60 Shared7.538.755448
202x50 Shared6.92756.2775449
212x60 Shared9.51757.384457
22E1x50 Shared6.265716.46667769
233x28 Shared7.6526.1225547
243x33 Shared10.6889.25833568
253x37 Shared5.6986.27167568
26I2x53 Shared7.00610.66549
27I2x57 Shared7.9689.606558
284x57 Shared7.8268.168558
294x61 Shared4.07253.665447
30E2.R171 Shared9.26258.3325447
31E2x52 Shared6.1586.325547
32E2.F182 Shared6.62755.284456
335x47 Shared10.80259.95469
346x44 Shared7.6565.642559
356x48 Shared8.516258.71888
367x34 Shared7.413.5925447
377x38 Shared10.137.15657
387x42 Shared7.364299.35333768
398x50 Shared7.9658.31449
40Lig Shared8.672149.0108314120
411x48 m1_on2.952.3275145
422x38 m1_on4.793334.2575347
432x63 m1_on7.244.9025247
443x43 m1_on6.573334.966358
454x64 m1_on8.026679.49347
464x68 m1_on3.954.505344
475x48 m1_on5.35.136257
485x58 m1_on3.5756.63269
495x62 m1_on15.436.5825147
506x40 m1_on5.9954.1125248
516x49 m1_on3.193333.805347
526x51 m1_on9.636676.944358
537x39 m1_on8.498.398158
547x53 m1_on10.85.35369
55CT.W437 m1_on8.686.14353
   
Orange: nodes, hubs and links specific of m1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m1_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 m1_off Recurrence m1_on Recurrence m1_off Hub1? m1_on Hub1? m1_off Hub2? m1_on Hub2? ConSurf1 ConSurf2
12x64 NT.K20 m1_off27.79180NoNoYesNo75
21x32 NT.K20 m1_off21.570NoNoYesNo45
31x32 2x65 m1_off13.37120NoNoNoNo46
42x61 2x65 m1_off10.05951.59941NoNoNoNo86
52x57 7x42 m1_off15.53091.44685YesNoYesYes88
62x53 7x42 m1_off57.46920YesNoYesYes88
71x50 2x47 m1_off39.29950YesYesNoNo99
81x56 8x54 m1_off27.11890NoNoYesNo99
91x56 8x50 m1_off26.04461.75197NoNoYesYes99
103x37 3x40 m1_off53.7090YesYesNoNo89
113x40 5x50 m1_off1000NoNoNoNo99
123x44 5x50 m1_off96.6694.61122NoNoNoNo79
133x44 5x53 m1_off95.55312.30807NoNoNoNo77
145x53 5x57 m1_off94.43720NoNoNoNo78
153x48 3x52 m1_off38.83980NoNoYesNo77
163x52 I2x53 m1_off78.35251.75197YesNoYesYes79
17I2x53 I2x57 m1_off47.67271.63386YesYesYesYes98
182x41 4x39 m1_off25.7760NoNoNoNo75
193x40 6x48 m1_off48.70550.127953NoNoYesYes98
203x51 3x52 m1_off42.03520YesNoYesNo87
212x63 E1x50 m1_off18.08670.46752NoYesYesYes79
222x63 E2.Q177 m1_off16.46965.11319NoYesNoNo74
23E2.L174 E2.Q177 m1_off13.21892.55906NoNoNoNo34
24E2.L174 E2x51 m1_off11.58520NoNoNoNo34
253x30 4x58 m1_off11.91470NoNoNoNo86
263x43 6x41 m1_off14.42060NoYesNoNo87
276x37 6x41 m1_off13.77820NoNoNoNo97
283x50 6x37 m1_off13.10540YesNoNoNo99
293x50 5x61 m1_off10.71020YesNoNoNo99
306x51 7x34 m1_off18.610NoYesYesYes87
316x52 Lig m1_off11.96730NoNoYesYes80
325x48 6x52 m1_off12.31342.16535NoYesNoNo78
335x45 5x48 m1_off10.79336.14665NoNoNoYes67
346x47 6x48 m1_off11.11452.78051YesNoYesYes88
356x51 Lig m1_off14.09662.74606NoYesYesYes80
362x60 2x64 Shared30.931719.311YesYesNoNo77
372x60 7x42 Shared32.111327.8691YesYesYesYes78
382x53 7x46 Shared50.962212.7165YesNoNoNo89
392x50 7x46 Shared50.020811.875YesYesNoNo99
401x50 2x50 Shared43.275711.2598YesYesYesYes99
411x53 2x47 Shared38.291620.4282NoNoNoNo99
421x53 8x54 Shared32.197117.1211NoNoYesNo99
438x50 I1x50 Shared16.239820.2067YesYesNoNo99
441x60 I1x50 Shared15.187618.5581YesYesNoNo89
452x60 7x38 Shared27.686635.0984YesYesYesYes77
467x38 Lig Shared24.538335.8809YesYesYesYes70
473x37 Lig Shared48.088189.2175YesYesYesYes80
483x48 5x57 Shared40.105211.4616NoNoNoNo78
492x38 I2x57 Shared39.742569.0896NoYesYesYes78
502x38 4x39 Shared34.345810.3888NoYesNoNo75
511x57 2x41 Shared22.907430.1132NoNoNoNo87
521x57 2x44 Shared11.612926.9242NoNoNoNo87
537x42 Lig Shared79.795143.2431YesYesYesYes80
546x48 Lig Shared65.925548.6171YesYesYesYes80
553x51 5x57 Shared53.373911.4616YesNoNoNo88
563x49 I2x53 Shared17.089910.3642NoNoYesYes99
572x42 3x49 Shared14.481582.9478YesNoNoNo89
582x60 3x28 Shared30.923440.9547YesYesYesYes77
593x28 E1x50 Shared25.84831.6585YesYesYesYes79
603x33 E2x52 Shared13.589933.75YesYesYesYes87
613x30 4x61 Shared19.166611.1417NoNoYesYes87
626x44 6x48 Shared14.113251.8701YesYesYesYes98
633x43 6x44 Shared14.730749.4193NoYesYesYes89
64E2.F182 E2x52 Shared14.329237.6427YesYesYesYes67
654x64 E2.F182 Shared15.879822.4852NoYesYesYes76
663x33 Lig Shared14.434426.6437YesYesYesYes80
674x57 4x61 Shared11.939614.2077YesYesYesYes87
681x39 7x39 m1_on1.6696712.4606YesYesNoYes68
697x39 7x42 m1_on012.3819NoYesYesYes88
703x36 Lig m1_on0.6756217.3081NoNoYesYes80
712x53 3x36 m1_on019.3307YesNoNoNo88
723x37 4x53 m1_on8.56985100YesYesNoNo88
733x38 4x53 m1_on5.3966593.4449NoNoNoNo88
743x38 4x50 m1_on4.3278492.3179NoNoYesNo89
753x42 4x50 m1_on1.0854290.0344NoNoYesNo89
762x45 3x42 m1_on088.878NoNoNoNo98
772x45 4x46 m1_on087.7116NoNoNoNo99
782x42 4x46 m1_on5.8175386.5354YesNoNoNo89
793x49 I2x57 m1_on0.27412471.3632NoNoYesYes98
802x38 2x41 m1_on031.6929NoYesNoNo77
811x54 2x44 m1_on8.7193725.315NoNoNoNo77
821x54 2x47 m1_on022.0669NoNoNoNo79
831x52 8x54 m1_on3.5774612.0866NoNoYesNo89
842x37 2x38 m1_on031.4715NoNoNoYes87
852x37 2x40 m1_on1.1989529.8917NoNoNoNo89
862x40 8x50 m1_on2.2206826.7028NoNoYesYes99
873x40 Lig m1_on045.9301NoNoYesYes90
883x40 6x44 m1_on045.1624NoNoYesYes99
893x43 7x53 m1_on043.4449NoYesNoYes89
902x63 2x64 m1_on010.1132NoYesNoNo77
913x25 E1x50 m1_on1.666919.877NoNoYesYes99
923x25 3x26 m1_on017.7018NoNoNoNo97
933x26 E2.R171 m1_on1.6585910.1329NoNoYesYes77
945x54 6x44 m1_on1.5395349.9557NoNoYesYes99
953x47 5x54 m1_on0.97189548.7894NoNoNoNo99
963x47 5x57 m1_on024.8967NoNoNoNo98
975x58 7x53 m1_on025.128NoYesNoYes99
983x47 5x58 m1_on024.2815NoNoNoYes99
995x47 Lig m1_on014.7539YesYesYesYes90
1005x47 5x48 m1_on011.9931YesYesNoYes97
1015x58 6x37 m1_on035.7431NoYesNoNo99
1026x40 7x53 m1_on013.6663NoYesNoYes89
1035x62 6x37 m1_on026.8652NoYesNoNo79
1045x62 5x66 m1_on013.4744NoYesNoNo77
1057x34 7x38 m1_on010.2608YesYesYesYes77
1063x37 4x57 m1_on9.3866817.9675YesYesYesYes88

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
2x532x56m1_off7.7401022
2x537x42m1_off4.8401021
2x563x32Shared11.7810.311121
2x567x42Shared3.823.821121
2x577x42Shared13.1711.970121
2x607x38Shared19.8611.911121
2x607x42Shared7.946.951121
3x327x38m1_off4.601111
3x327x42Shared10.349.21111
3x32LigShared4.339.681110
3x334x57Shared15.4316.41111
3x334x61Shared3.633.631112
3x33E2x52Shared8.467.251112
3x337x38Shared4.966.951111
3x33LigShared20.9613.381110
3x366x48Shared6.183.711111
3x36LigShared9.5911.781110
3x373x40m1_off4.301111
3x374x53Shared5.785.781112
3x374x57Shared8.768.761111
3x375x461Shared4.554.551111
3x37LigShared5.110.441110
3x405x50m1_off3.5300112
3x406x48Shared3.684.90111
4x574x61Shared3.523.521112
4x57LigShared87.311110
4x61E2x52Shared5.895.891122
E2.L183E2x52Shared7.147.141022
5x43E2.L183m1_off4.4200012
5x43Ligm1_off4.7100010
5x461Ligm1_off4.0201010
5x475x51Shared7.877.871112
5x476x44m1_off5.3601112
5x476x48Shared7.026.011111
5x476x52Shared22.9625.371111
5x486x52Shared5.813.490121
6x446x48Shared17.048.021121
6x447x45m1_off3.6201122
6x476x48Shared3.643.641121
6x477x45Shared5.857.311122
6x487x41Shared11.7516.981111
6x487x45Shared7.9110.171112
6x48LigShared10.9116.251110
6x517x34m1_off6.7501112
6x517x38Shared7.943.971111
6x51LigShared14.228.361110
6x52Ligm1_off10.5200110
7x387x42m1_off6.9501111
7x38LigShared16.4710.031110
7x41LigShared6.084.531110
7x42LigShared4.495.851110
4x564x57m1_off3.4200021
3x414x53m1_off3.0700022
5x44Ligm1_off2.0100010
2x533x36m1_on04.641021
2x577x39m1_on08.140122
2x607x39m1_on04.821122
3x336x51m1_on07.941111
3x373x41m1_on05.441112
3x406x44m1_on03.930112
3x40Ligm1_on05.310110
4x575x43m1_on04.851111
5x475x48m1_on011.351112
5x476x49m1_on03.891112
5x47Ligm1_on05.211110
5x516x44m1_on03.930022
6x516x52m1_on08.141111
6x516x55m1_on06.311112
7x397x42m1_on018.330121
7x347x38m1_on02.891021
3x374x56m1_on02.661112
5x445x48m1_on01.330012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
m1_off 5CXV-M1-Tiotropium
m1_on 6OIJ-M1-Iperoxo-chim(NtGi1L-G11)/&β;1/&γ;2
Network Difference
Value m1_off m1_on
Imin 3.5 3.42
Number of Linked Nodes 265 262
Number of Specific Nodes 25 (9.43%) 22  (8.40%)
Number of Shared Nodes 240 (90.57%) 240  (91.60%)
Number of Links 303 289
Number of Specific Links 131 (43.23%) 117  (40.48%)
Number of Shared Links 172 (56.77%) 172  (59.52%)
Number of Hubs 40 39
Number of Specific Hubs 16 (40.00%) 15  (38.46%)
Number of Shared Hubs 24 (60.00%) 24  (61.54%)
Average % Shared Neighbours (Jaccard) 39.50
Average % Shared Neighbours (Otsuka) 48.09
Average % Shared Neighbours (Overlap Coefficient) 56.52
Average % Shared Cliques (k3-6) 57.65
Graphlets Similarity 0.715382
Paths Difference
Value m1_off m1_on
Number Of Nodes in MetaPath 66 69
Specific Nodes in MetaPath 21 (31.82%) 24  (34.78%)
Shared Nodes in MetaPath 240 (90.57%) 240  (90.57%)
Number Of Links MetaPath 67 71
Specific Links in MetaPath 35 (52.24%) 39  (54.93%)
Shared Links in MetaPath 172 (56.77%) 172  (56.77%)
Number of Shortest Paths 73816 48563
Length Of Smallest Path 3 3
Average Path Length 14.8546 13.8661
Length of Longest Path 34 32
Minimum Path Strength 1.32 1.335
Average Path Strength 6.33489 6.61867
Maximum Path Strength 18.1467 16.755
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.923091 0.945062
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.57143 3.84615
Average % Of Corr. Nodes 44.5287 62.0203
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 44.5144 46.6714
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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