Orange: nodes, hubs and links specific of m2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m2_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 m2_off Avg Int. Strength m2_on Avg Int. Strength m2_off Num Of Links m2_on Num Of Links ConSurf
1I1x50 m2_off8.170839.43439
22x53 m2_off5.659174.77438
32x56 m2_off7.138.335428
4E1x51 m2_off4.531674.395424
5E1x52 m2_off6.0241710.43418
63x32 m2_off7.828.09667439
73x39 m2_off6.1123519
83x50 m2_off6.382226.2639
94x61 m2_off4.689173.385428
10E2.R169 m2_off9.643339.69428
11E2.F180 m2_off8.224176.51333437
12E2.F181 m2_off8.791113.83625
135x48 m2_off4.050835.93667438
145x57 m2_off5.9655.97438
156x34 m2_off2.837333.05333538
166x44 m2_off7.461336.43667539
176x54 m2_off4.438672.10333537
187x34 m2_off7.538336.38333436
197x45 m2_off7.1573312.63529
208x50 m2_off7.5188.35667539
212x42 Shared5.516674.01558
222x44 Shared5.1255.0675447
232x50 Shared9.724178.9875449
242x57 Shared5.19256.115449
252x60 Shared7.877226.348658
262x65 Shared1.376672.534556
27E1x50 Shared7.2157.60333669
283x28 Shared6.5187.0125547
293x33 Shared10.79479.966558
303x51 Shared8.177.922459
31I2x53 Shared6.3967.16833569
32I2x57 Shared9.126677.664558
334x57 Shared7.049337.43714578
344x64 Shared7.658335.955446
35E2x52 Shared8.786676.9625547
365x47 Shared9.855338.03549
376x48 Shared9.088758.12333869
386x51 Shared8.921675.815468
397x39 Shared4.698676.874559
407x42 Shared6.014296.355769
41Lig Shared9.205837.792221290
421x50 m2_on6.946675.3125349
432x46 m2_on6.415.545249
443x37 m2_on7.396676.7925349
453x49 m2_on10.74337.8975349
464x50 m2_on5.948894.985349
475x41 m2_on8.663335.4725247
485x58 m2_on11.06677.2675349
49E3.I417 m2_on8.926674.0175347
507x38 m2_on13.01896.95367
517x53 m2_on9.495566.0725349
   
Orange: nodes, hubs and links specific of m2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m2_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 m2_off Recurrence m2_on Recurrence m2_off Hub1? m2_on Hub1? m2_off Hub2? m2_on Hub2? ConSurf1 ConSurf2
11x31 1x35 m2_off19.120NoNoNoNo56
21x35 2x65 m2_off22.67532.14851NoNoYesYes66
32x61 2x65 m2_off12.88277.73585NoNoYesYes76
41x42 7x39 m2_off10.99827.41935NoNoYesYes69
52x53 7x42 m2_off49.55620YesNoYesYes89
62x53 3x35 m2_off56.23013.6336YesNoNoNo87
72x52 3x35 m2_off55.07671.81984NoNoNoNo87
82x52 3x31 m2_off53.91370NoNoNoNo86
92x551 3x31 m2_off52.74131.86853NoNoNoNo56
102x55 2x551 m2_off51.55933.73098NoNoNoNo55
111x47 2x55 m2_off50.36795.58125NoNoNoNo75
121x47 2x51 m2_off49.16690NoNoNoNo78
131x54 2x51 m2_off46.72710NoNoNoNo78
141x54 2x44 m2_off45.59741.86853NoNoYesYes77
151x57 2x44 m2_off41.85227.41935NoNoYesYes87
161x57 8x50 m2_off37.76520NoNoYesNo89
178x53 I1x50 m2_off27.35560NoNoYesNo89
181x56 8x53 m2_off26.16410NoNoNoNo98
192x64 2x65 m2_off20.8622.44674NoNoYesYes76
202x60 2x64 m2_off23.35410YesYesNoNo87
212x60 7x42 m2_off18.60269.25746YesYesYesYes89
222x53 7x46 m2_off43.15750YesNoNoNo89
232x50 7x46 m2_off39.2131.86853YesYesNoNo99
241x50 2x47 m2_off18.92530NoYesNoNo99
251x53 2x47 m2_off17.50131.86853NoNoNoNo99
261x53 7x53 m2_off16.05830NoNoNoYes99
271x56 8x57 m2_off11.92390NoNoNoNo97
282x50 7x49 m2_off37.09121.50335YesYesNoNo99
292x46 7x49 m2_off1000.389531NoYesNoNo99
302x46 3x42 m2_off98.76580NoYesNoNo99
312x45 3x42 m2_off97.52220NoNoNoNo99
322x45 4x46 m2_off92.45270NoNoNoNo99
332x42 4x46 m2_off91.16154.3031YesYesNoNo89
346x48 7x45 m2_off60.16991.6129YesYesYesNo99
357x45 7x49 m2_off64.43250YesNoNoNo99
363x39 6x48 m2_off11.76250YesNoYesYes99
372x56 3x28 m2_off10.5710YesNoYesYes87
383x28 3x32 m2_off10.58050YesYesYesNo79
393x33 E2.F181 m2_off38.77630YesYesYesNo85
40E2.F180 E2.F181 m2_off34.89820YesNoYesNo75
414x65 E2.R169 m2_off30.54070NoNoYesNo78
423x52 I2x53 m2_off41.7816.7255NoNoYesYes69
433x51 3x52 m2_off30.15146.64638YesYesNoNo96
443x46 6x37 m2_off27.09930NoNoNoNo99
453x50 6x37 m2_off25.64670YesNoNoNo99
463x50 6x34 m2_off15.96810YesNoYesNo98
473x52 3x56 m2_off10.96030NoNoNoNo67
484x65 4x66 m2_off28.06762.2885NoNoNoNo76
494x63 4x66 m2_off25.53280NoNoNoNo76
504x59 4x63 m2_off15.63110NoNoNoNo87
514x58 4x59 m2_off13.04882.14851NoNoNoNo68
524x54 4x58 m2_off10.45714.29093NoNoNoNo56
536x52 Lig m2_off11.97130NoNoYesYes70
545x47 5x51 m2_off10.13430YesYesNoNo97
556x40 7x53 m2_off13.31475.50822NoNoNoYes99
566x51 7x34 m2_off29.44420YesYesYesNo86
576x54 7x34 m2_off13.48550YesNoYesNo76
581x28 1x31 m2_off11.18340NoNoNoNo55
596x51 Lig m2_off28.06283.58491YesYesYesYes80
602x57 7x42 m2_off12.55520YesYesYesYes99
612x53 2x56 m2_off10.73240YesNoYesNo88
622x50 3x39 m2_off10.57580YesYesYesNo99
633x32 Lig m2_off11.43971.20511YesNoYesYes90
642x61 7x39 Shared18.01413.0493NoNoYesYes79
657x39 7x42 Shared27.426857.1272YesYesYesYes99
668x50 I1x50 Shared32.814416.4273YesNoYesNo99
671x56 8x54 Shared13.537825.1309NoNoNoNo99
681x50 2x50 Shared21.744964.0414NoYesYesYes99
692x42 3x49 Shared58.551341.4729YesYesNoYes89
707x42 Lig Shared59.36344.1935YesYesYesYes90
716x48 Lig Shared72.95348.8618YesYesYesYes90
722x60 7x38 Shared14.458637.9124YesYesNoYes87
737x38 Lig Shared11.102716.1229NoYesYesYes70
742x42 3x46 Shared28.803353.4571YesYesNoNo89
753x28 E1x50 Shared22.513935.9099YesYesYesYes79
76E1x50 E1x51 Shared12.52210.2921YesYesYesNo94
773x33 Lig Shared75.0721.0651YesYesYesYes80
783x33 E2x52 Shared35.662450YesYesYesYes87
79E2.F180 E2x52 Shared36.825445.8065YesNoYesYes77
804x64 E2.F180 Shared66.99135.35YesYesYesNo67
814x64 E2.Q179 Shared57.402621.3938YesYesNoNo67
82E2.Q179 E2.V171 Shared50.111514.3092NoNoNoNo74
83E2.R169 E2.V171 Shared40.257310.7486YesNoNoNo84
844x57 Lig Shared11.292533.6336YesYesYesYes80
853x37 4x57 Shared11.017226.975NoYesYesYes98
863x49 I2x53 Shared50.529316.8168NoYesYesYes99
873x51 5x57 Shared18.056716.1473YesYesYesNo98
887x34 E3.I417 Shared10.495124.0292YesNoNoYes67
892x57 7x39 m2_on1.32435100YesYesYesYes99
901x43 2x57 m2_on4.0110111.059NoNoYesYes89
911x46 2x57 m2_on7.988897.3402NoNoYesYes89
921x46 1x50 m2_on093.7492NoNoNoYes89
931x50 7x50 m2_on1.533250.8217NoYesNoNo99
941x49 7x50 m2_on038.308NoNoNoNo99
951x49 1x52 m2_on036.689NoNoNoNo98
961x52 8x54 m2_on7.613831.759NoNoNoNo89
971x53 7x50 m2_on012.8606NoNoNoNo99
981x56 8x50 m2_on021.6859NoNoYesNo99
992x46 2x50 m2_on060.28NoYesYesYes99
1002x46 3x43 m2_on058.4723NoYesNoNo99
1013x43 7x53 m2_on057.4194NoNoNoYes99
1023x46 7x53 m2_on041.1869NoNoNoYes99
1033x49 I2x57 m2_on6.7641321.2051NoYesYesYes98
1042x38 I2x57 m2_on1.8322510.4747NoNoYesYes78
1053x37 4x53 m2_on1.8559820.9921NoYesNoNo99
1063x38 4x53 m2_on010.6452NoNoNoNo89
1072x60 7x39 m2_on2.7246447.8393YesYesYesYes89
1082x60 3x28 m2_on4.7182847.5533YesYesYesYes87
1097x38 7x42 m2_on021.6616NoYesYesYes79
1102x63 E1x50 m2_on1.827515.3682NoNoYesYes79
1112x63 E2.E175 m2_on012.8363NoNoNoNo75
1123x28 3x29 m2_on015.0213YesYesNoNo77
1133x29 E2x52 m2_on4.5901220.4747NoNoYesYes77
1143x33 7x38 m2_on027.0237YesYesNoYes87
1153x50 7x53 m2_on012.538YesNoNoYes99
1163x50 5x58 m2_on026.2203YesNoNoYes99
1173x47 5x58 m2_on025.5021NoNoNoYes99
1183x47 5x57 m2_on5.4350422.8119NoNoYesNo98
1193x56 I2x53 m2_on012.8058NoNoYesYes79
1204x57 4x61 m2_on3.3986812.4041YesYesYesNo88
1213x30 4x61 m2_on2.5110410.493NoNoYesNo88
1225x47 6x48 m2_on9.593210.0243YesYesYesYes99
1235x47 5x48 m2_on5.0078315.6056YesYesYesNo98
1245x48 6x56 m2_on7.6327911.7468YesNoNoNo87
1256x44 6x48 m2_on1.7135835.8186YesNoYesYes99
1265x51 6x44 m2_on040.6634NoNoYesNo79
1275x51 5x52 m2_on036.7681NoNoNoNo75
1285x52 5x56 m2_on1.8464935.983NoNoNoNo55
1295x55 5x56 m2_on035.5752NoNoNoNo65
1305x55 6x41 m2_on035.2161NoNoNoNo68
1317x34 7x38 m2_on032.4772YesNoNoYes67
1327x30 E3.I417 m2_on015.5873NoNoNoYes77
1337x30 7x33 m2_on1.5664313.3962NoNoNoNo75
1346x54 7x33 m2_on3.1233711.1929YesNoNoNo75
1355x58 6x41 m2_on034.9239NoYesNoNo98
1363x46 3x50 m2_on013.9988NoNoYesNo99
1373x33 4x57 m2_on2.2594612.2763YesYesYesYes88

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
2x532x56m2_off5.6733301022
2x537x42m2_off5.6401021
2x563x28m2_off3.7066701122
2x563x32Shared9.8166710.311121
2x567x42Shared9.323336.361121
2x577x39Shared7.3666711.631022
2x577x42m2_off4.7901021
2x603x28Shared4.176674.821122
2x607x38Shared18.53339.931121
2x607x39Shared6.435.791122
2x607x42Shared3.973334.961121
3x283x32m2_off3.7201021
3x327x42Shared8.813338.051111
3x32LigShared8.935.931110
3x334x57Shared15.4313.51111
3x334x61m2_off4.0333301112
3x33E2x52Shared8.8633312.091112
3x33E2.F181m2_off6.5366701112
3x33LigShared19.1113.321110
3x366x48m2_off4.9433301011
3x36LigShared10.757.871010
3x374x57Shared9.0410.170121
3x396x44m2_off3.5666701022
3x396x48m2_off5.3333301021
3x397x45m2_off5.6266701022
4x574x61Shared3.523333.521112
4x575x43Shared3.648.491112
4x57LigShared3.613335.971110
4x61E2x52m2_off6.8701022
E2.F181E2x52Shared15.48673.771022
5x43E2.F181m2_off7.7800022
5x461Ligm2_off5.2866700010
5x475x48Shared7.906678.251122
5x476x44Shared4.295.361122
5x476x48Shared4.676674.011121
5x476x52Shared24.973314.51121
5x486x52m2_off3.4901021
6x446x48Shared17.706710.021121
6x447x45m2_off4.0266701122
6x476x48Shared4.856.061121
6x477x45Shared9.7511.71122
6x487x41m2_off16.106701111
6x487x45Shared8.6633313.561112
6x48LigShared10.438.961110
6x516x55Shared5.055.051112
6x517x34m2_off5.7866701112
6x517x38Shared7.943335.961111
6x51LigShared16.906710.241110
6x52Ligm2_off10.236701010
7x38LigShared12.587.171110
7x397x42Shared4.188.681121
7x41LigShared4.956675.551110
7x42LigShared5.385.121110
5x44Ligm2_off2.2900010
2x533x36m2_on04.641021
3x336x51m2_on04.961111
3x337x38m2_on05.961111
3x374x56m2_on04.120122
3x406x48m2_on06.130021
4x564x57m2_on09.110121
6x516x52m2_on04.651111
6x517x41m2_on04.031111
7x347x38m2_on07.721121
7x387x42m2_on04.961111
5x446x52m2_on01.560011
4x575x461m2_on01.31111

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
m2_off 5ZKB-M2-AF-DX 384
5ZKC-M2-N-Methyl Scopolamine
5ZK3-M2-Quinuclidinyl benzilate hydrobromide
m2_on 7T8X-M2-Acetylcholine-chim(NtGi1-Go)/&β;1/&γ;2
Network Difference
Value m2_off m2_on
Imin 3.47333 3.39
Number of Linked Nodes 275 256
Number of Specific Nodes 24 (8.73%) 5  (1.95%)
Number of Shared Nodes 251 (91.27%) 251  (98.05%)
Number of Links 312 277
Number of Specific Links 139 (44.55%) 104  (37.55%)
Number of Shared Links 173 (55.45%) 173  (62.45%)
Number of Hubs 41 31
Number of Specific Hubs 20 (48.78%) 10  (32.26%)
Number of Shared Hubs 21 (51.22%) 21  (67.74%)
Average % Shared Neighbours (Jaccard) 43.06
Average % Shared Neighbours (Otsuka) 52.66
Average % Shared Neighbours (Overlap Coefficient) 62.54
Average % Shared Cliques (k3-6) 54.89
Graphlets Similarity 0.674335
Paths Difference
Value m2_off m2_on
Number Of Nodes in MetaPath 84 68
Specific Nodes in MetaPath 42 (50.00%) 26  (38.24%)
Shared Nodes in MetaPath 251 (91.27%) 251  (91.27%)
Number Of Links MetaPath 88 74
Specific Links in MetaPath 63 (71.59%) 49  (66.22%)
Shared Links in MetaPath 173 (55.45%) 173  (55.45%)
Number of Shortest Paths 53869 40868
Length Of Smallest Path 3 3
Average Path Length 15.2395 12.8347
Length of Longest Path 38 26
Minimum Path Strength 0.958333 1.34
Average Path Strength 6.70545 5.90057
Maximum Path Strength 18.1067 13.91
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.919469 0.933502
Maximum Path Correlation 0.993333 0.99
Minimum % Of Corr. Nodes 3.22581 5.26316
Average % Of Corr. Nodes 42.5478 55.6466
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 43.33 46.8997
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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