Orange: nodes, hubs and links specific of muscarinic_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of muscarinic_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 muscarinic_off Avg Int. Strength muscarinic_on Avg Int. Strength muscarinic_off Num Of Links muscarinic_on Num Of Links ConSurf
11x39 muscarinic_off00427
2I1x50 muscarinic_off8037.5539
33x32 muscarinic_off93.333312.5539
43x50 muscarinic_off400539
53x52 muscarinic_off400426
63x56 muscarinic_off00437
75x57 muscarinic_off00438
86x30 muscarinic_off00529
97x34 muscarinic_off1000436
107x45 muscarinic_off8025539
118x54 muscarinic_off2012.5439
121x57 Shared13.333312.5458
131x60 Shared2025448
142x40 Shared4037.5549
152x42 Shared93.333350548
162x50 Shared86.666762.5459
172x57 Shared53.333312.5559
182x60 Shared8068.75658
19E1x50 Shared10087.5669
203x28 Shared93.333375547
213x33 Shared93.333368.75458
223x51 Shared8062.5459
23I2x53 Shared53.333375549
24I2x57 Shared100100548
254x46 Shared200449
264x57 Shared73.3333100458
27E2 Shared10010017125
28E2x52 Shared10012.5447
295x47 Shared100100569
306x44 Shared86.666775449
316x48 Shared100100779
32E3 Shared10068.75585
337x38 Shared8068.75667
347x39 Shared6075669
357x42 Shared100100879
367x53 Shared33.333387.5449
378x50 Shared10050449
38Lig Shared10010013110
39CT Shared2025560
401x31 muscarinic_on00355
412x53 muscarinic_on26.66670348
422x65 muscarinic_on00346
432x66 muscarinic_on00346
443x37 muscarinic_on4056.25349
453x49 muscarinic_on4050349
464x62 muscarinic_on00346
475x48 muscarinic_on037.5358
485x58 muscarinic_on068.75259
495x66 muscarinic_on00157
506x40 muscarinic_on00349
516x51 muscarinic_on4075358
526x59 muscarinic_on012.5247
   
Orange: nodes, hubs and links specific of muscarinic_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of muscarinic_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 muscarinic_off Recurrence muscarinic_on Recurrence muscarinic_off Hub1? muscarinic_on Hub1? muscarinic_off Hub2? muscarinic_on Hub2? ConSurf1 ConSurf2
11x31 1x35 muscarinic_off11.74960NoYesNoNo56
21x35 1x39 muscarinic_off18.39580NoNoYesNo67
32x53 7x42 muscarinic_off22.22420NoYesYesYes89
42x50 7x49 muscarinic_off31.04891.22648YesYesNoNo99
56x40 7x49 muscarinic_off87.73260NoYesNoNo99
62x43 7x53 muscarinic_off77.46150NoNoYesYes89
72x40 2x43 muscarinic_off76.24371.09696YesYesNoNo98
88x50 8x54 muscarinic_off13.80670YesYesYesNo99
91x57 2x44 muscarinic_off18.93155.4534YesYesNoNo87
101x54 2x44 muscarinic_off15.8534.37018NoNoNoNo77
112x40 I1x50 muscarinic_off19.82430YesYesYesNo99
122x50 3x39 muscarinic_off33.35240.904649YesYesNoNo99
132x46 3x39 muscarinic_off1000NoNoNoNo99
142x46 3x42 muscarinic_off990NoNoNoNo99
152x45 3x42 muscarinic_off97.99294.37018NoNoNoNo99
162x45 4x46 muscarinic_off93.89315.4534NoNoYesYes99
172x42 4x46 muscarinic_off90.74328.67953YesYesYesYes89
183x49 I2x57 muscarinic_off26.98831.20489NoYesYesYes98
193x39 7x45 muscarinic_off72.43670NoNoYesNo99
202x39 I2x57 muscarinic_off25.99550.902686NoNoYesYes98
211x54 2x51 muscarinic_off12.73880NoNoNoNo78
224x57 Lig muscarinic_off37.43082.6904YesYesYesYes80
234x57 E2 muscarinic_off26.38120YesYesYesYes85
24E1x49 E2 muscarinic_off10.02110NoNoYesYes45
255x43 Lig muscarinic_off24.57060NoNoYesYes90
265x43 E2 muscarinic_off23.84910NoNoYesYes95
274x65 E2 muscarinic_off13.64951.825NoNoYesYes75
284x65 4x66 muscarinic_off11.93891.0165NoNoNoNo76
293x37 4x57 muscarinic_off15.29590.731961NoYesYesYes98
303x48 3x52 muscarinic_off15.8780NoNoYesNo76
313x48 5x57 muscarinic_off14.47093.28892NoNoYesNo78
323x47 5x54 muscarinic_off20.67071.09892NoNoNoNo99
333x44 5x54 muscarinic_off11.85310NoNoNoNo79
342x39 3x50 muscarinic_off24.53480NoNoYesNo99
353x50 6x30 muscarinic_off14.99230YesNoYesNo99
363x51 5x60 muscarinic_off16.53513.28892YesYesNoNo96
375x45 5x48 muscarinic_off10.30320.896799NoNoNoYes78
385x47 5x51 muscarinic_off15.72090.904649YesYesNoNo97
395x59 5x60 muscarinic_off12.11030NoNoNoNo46
405x59 5x63 muscarinic_off10.6211.09892NoNoNoNo45
415x51 6x45 muscarinic_off11.26390NoNoNoNo77
426x51 Lig muscarinic_off13.44951.38935NoYesYesYes80
436x51 7x34 muscarinic_off15.9280NoYesYesNo86
448x47 8x50 muscarinic_off10.85682.1429NoNoYesYes99
456x44 7x45 muscarinic_off10.23180YesYesYesNo99
461x39 7x39 Shared23.199216.4014YesNoYesYes79
477x39 7x42 Shared33.416723.2677YesYesYesYes99
482x53 7x46 Shared22.884928.6407NoYesNoNo89
492x50 7x46 Shared22.845628.8801YesYesNoNo99
506x40 7x53 Shared84.189851.5591NoYesYesYes99
512x40 8x50 Shared25.181228.2933YesYesYesYes99
527x42 Lig Shared34.945227.1885YesYesYesYes90
536x48 Lig Shared82.364962.7053YesYesYesYes90
546x48 7x45 Shared86.85469.8365YesYesYesNo99
557x45 7x49 Shared62.633570.5351YesNoNoNo99
561x57 2x40 Shared33.509531.2486YesYesYesYes89
571x60 I1x50 Shared11.374622.4435YesYesYesNo89
582x42 3x49 Shared85.261213.9406YesYesNoYes89
591x57 2x41 Shared10.731839.9027YesYesNoNo88
603x49 I2x53 Shared57.430114.5745NoYesYesYes99
613x52 I2x53 Shared56.851560.1798YesNoYesYes69
623x47 5x57 Shared23.595678.6809NoNoYesNo98
633x51 3x52 Shared33.13161.0334YesYesYesNo96
643x51 5x57 Shared15.042375.5882YesYesYesNo98
655x47 6x48 Shared13.503111.2934YesYesYesYes99
662x57 7x42 Shared13.338810.0453YesYesYesYes99
672x61 2x65 muscarinic_on013.7581NoNoNoYes76
681x39 2x61 muscarinic_on1.7856515.2122YesNoNoNo77
692x56 7x42 muscarinic_on0.6035523.8623NoNoYesYes89
702x53 2x56 muscarinic_on0.84639824.5668NoYesNoNo88
712x46 2x50 muscarinic_on030.3989NoNoYesYes99
722x46 3x43 muscarinic_on099.9804NoNoNoNo99
733x43 7x53 muscarinic_on0100NoNoYesYes99
743x50 7x53 muscarinic_on048.0288YesNoYesYes99
753x50 5x58 muscarinic_on048.0955YesNoNoYes99
763x47 5x58 muscarinic_on080.2037NoNoNoYes99
77I2x53 I2x57 muscarinic_on3.1463243.0189YesYesYesYes98
782x38 I2x57 muscarinic_on1.5499442.5479NoNoYesYes78
792x38 4x39 muscarinic_on041.7826NoNoNoNo75
802x41 4x39 muscarinic_on9.1568240.8446NoNoNoNo85
818x50 I1x50 muscarinic_on0.47498324.4157YesYesYesNo99
822x46 7x49 muscarinic_on069.5245NoNoNoNo99
835x58 6x40 muscarinic_on049.6693NoYesNoYes99
842x60 3x28 muscarinic_on3.1748924.9593YesYesYesYes87
852x60 7x38 muscarinic_on6.2033512.5905YesYesYesYes87
863x28 E1x50 muscarinic_on7.0890320.6519YesYesYesYes79
87E2 E2x52 muscarinic_on1.5320920.5852YesYesYesYes57
883x33 E2x52 muscarinic_on4.0677121.1798YesYesYesYes87
893x33 Lig muscarinic_on3.6570116.8253YesYesYesYes80
903x51 3x55 muscarinic_on1.8213613.817YesYesNoNo98
913x55 3x56 muscarinic_on1.7535110.6615NoNoYesNo87
925x58 6x37 muscarinic_on023.5248NoYesNoNo99
935x62 6x37 muscarinic_on022.5142NoNoNoNo89
945x62 5x66 muscarinic_on1.5356617.4022NoNoNoYes87
951x60 CT muscarinic_on8.4282711.1913YesYesYesYes80
962x60 7x42 muscarinic_on6.060518.9721YesYesYesYes89
977x38 Lig muscarinic_on4.317716.2425YesYesYesYes70

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
2x532x56Shared6.6044.45251022
2x537x42muscarinic_off5.2393301021
2x563x32Shared10.701310.03251121
2x567x42Shared7.037335.248131121
2x577x39Shared5.977.486871122
2x577x42Shared6.3866.881251121
2x603x28Shared6.482674.623751122
2x607x38Shared18.53212.70311121
2x607x39Shared3.696673.7651122
2x607x42Shared6.469334.376251121
3x283x32muscarinic_off8.18800021
3x327x42Shared9.510.05751111
3x32LigShared4.624677.511110
3x334x57Shared14.01814.94191111
3x33E2x52Shared9.266677.510621112
3x33LigShared19.961310.32371110
3x366x48muscarinic_off4.7773301011
3x36LigShared8.931338.431881010
3x374x53Shared8.3086.194380112
3x374x57Shared9.218.68750111
4x57E2muscarinic_off4.4333301112
4x57LigShared5.619339.993751110
E2E2Shared52.48832.17381122
E2E2x52Shared16.353312.62371122
5x43E2muscarinic_off4.8606701012
5x43Ligmuscarinic_off3.9801010
5x461LigShared4.477332.578120010
5x475x48Shared7.426679.351122
5x476x44Shared4.574674.021122
5x476x48Shared5.5465.51251121
5x476x52Shared25.21418.65191121
5x486x52muscarinic_off4.18601021
6x446x48Shared18.1067.89251121
6x447x45muscarinic_off4.6693301122
6x476x48Shared4.6084.62251121
6x477x45Shared7.993338.68251122
6x487x41Shared13.1469.224371111
6x487x45Shared7.0069.88751112
6x48LigShared12.67211.26251110
6x517x34muscarinic_off6.6226701112
6x517x38Shared7.6784.468751111
6x51LigShared14.52410.61751110
6x52Ligmuscarinic_off10.417301010
7x38LigShared15.86679.704371110
7x397x42Shared5.079338.801251121
7x41LigShared6.130675.676881110
7x42LigShared4.477334.844381110
3x327x38muscarinic_off4.6766701111
3x337x38Shared4.102675.088751111
7x387x42Shared7.613335.273751111
3x373x41Shared3.3565.740620112
5x44Ligmuscarinic_off2.1373300010
2x533x36muscarinic_on03.578121021
3x336x51muscarinic_on05.334371111
3x406x48muscarinic_on05.0550121
4x564x57muscarinic_on05.338120021
4x575x43muscarinic_on07.35251111
6x516x52muscarinic_on05.959381111
6x516x55muscarinic_on05.758751112
7x347x38muscarinic_on04.159371121
3x37Ligmuscarinic_on04.764370110
3x406x44muscarinic_on04.424380122
5x445x48muscarinic_on01.333120012

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_off muscarinic_on
Imin 3.59133 3.57188
Number of Linked Nodes 271 273
Number of Specific Nodes 3 (1.11%) 5  (1.83%)
Number of Shared Nodes 268 (98.89%) 268  (98.17%)
Number of Links 310 307
Number of Specific Links 103 (33.23%) 100  (32.57%)
Number of Shared Links 207 (66.77%) 207  (67.43%)
Number of Hubs 39 41
Number of Specific Hubs 11 (28.21%) 13  (31.71%)
Number of Shared Hubs 28 (71.79%) 28  (68.29%)
Average % Shared Neighbours (Jaccard) 54.73
Average % Shared Neighbours (Otsuka) 62.76
Average % Shared Neighbours (Overlap Coefficient) 70.66
Average % Shared Cliques (k3-6) 60.42
Graphlets Similarity 0.725053
Paths Difference
Value muscarinic_off muscarinic_on
Number Of Nodes in MetaPath 64 50
Specific Nodes in MetaPath 33 (51.56%) 19  (38.00%)
Shared Nodes in MetaPath 268 (98.89%) 268  (98.89%)
Number Of Links MetaPath 66 52
Specific Links in MetaPath 45 (68.18%) 31  (59.62%)
Shared Links in MetaPath 207 (66.77%) 207  (66.77%)
Number of Shortest Paths 64249 75378
Length Of Smallest Path 3 3
Average Path Length 14.2415 17.6795
Length of Longest Path 34 38
Minimum Path Strength 0.834 0.21375
Average Path Strength 6.38463 6.31527
Maximum Path Strength 19.307 14.6159
Minimum Path Correlation 0.700667 0.7
Average Path Correlation 0.908729 0.9215
Maximum Path Correlation 0.988 0.98875
Minimum % Of Corr. Nodes 4.16667 3.0303
Average % Of Corr. Nodes 42.0574 37.8142
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 45.3838 45.9298
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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