Orange: nodes, hubs and links specific of alpha_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of alpha_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 alpha_off Avg Int. Strength alpha_on Avg Int. Strength alpha_off Num Of Links alpha_on Num Of Links ConSurf
12x57 alpha_off00438
24x60 alpha_off500437
3I3 alpha_off500813
47x38 alpha_off500436
58x54 alpha_off00437
6NT alpha_off500710
7Lig Shared10010012110
82x42 Shared5091.6667658
9E1x50 Shared10083.3333758
103x24 Shared500445
113x28 Shared5050445
123x49 Shared508.33333449
13I2x57 Shared5091.6667666
14E2 Shared1000844
155x39 Shared5050458
165x47 Shared5091.6667568
175x58 Shared5091.6667669
186x44 Shared10075649
196x48 Shared100100588
206x51 Shared10091.6667647
216x52 Shared10041.6667547
22E3 Shared500753
237x42 Shared10091.6667567
247x53 Shared5091.6667449
258x49 Shared500447
268x50 Shared10050558
271x31 alpha_on00243
281x50 alpha_on091.6667259
29I1x50 alpha_on025248
302x45 alpha_on00349
312x46 alpha_on00149
322x50 alpha_on050349
333x35 alpha_on050356
343x42 alpha_on50100357
353x51 alpha_on5083.3333358
36I2x53 alpha_on5050347
374x50 alpha_on00349
385x38 alpha_on00245
395x48 alpha_on050266
405x62 alpha_on050145
416x26 alpha_on00040
426x49 alpha_on00247
436x55 alpha_on10025357
447x49 alpha_on016.6667349
458x57 alpha_on00346
   
Orange: nodes, hubs and links specific of alpha_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of alpha_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 alpha_off Recurrence alpha_on Recurrence alpha_off Hub1? alpha_on Hub1? alpha_off Hub2? alpha_on Hub2? ConSurf1 ConSurf2
12x63 E1x50 alpha_off15.46064.14311NoNoYesYes48
22x63 Lig alpha_off16.49760NoNoYesYes40
32x50 3x39 alpha_off16.84590NoYesNoNo99
43x39 6x44 alpha_off1000NoNoYesYes99
55x47 6x52 alpha_off31.88367.89628YesYesYesYes87
66x48 6x52 alpha_off30.07734.3722YesYesYesYes87
73x36 6x48 alpha_off29.71761.01872NoNoYesYes68
83x36 Lig alpha_off29.58550.584909NoNoYesYes60
96x48 6x51 alpha_off33.87740YesYesYesYes87
108x50 8x54 alpha_off13.10130YesYesYesNo87
117x53 8x50 alpha_off37.7540YesYesYesYes98
127x49 7x53 alpha_off80.8140NoYesYesYes99
133x39 7x49 alpha_off87.81520NoNoNoYes99
142x37 2x40 alpha_off42.16640NoNoNoNo78
152x40 2x43 alpha_off43.16330NoNoNoNo87
162x43 7x53 alpha_off44.12960NoNoYesYes79
172x37 2x39 alpha_off41.16571.589NoNoNoNo78
182x39 3x49 alpha_off22.23412.88555NoNoYesYes89
192x42 4x46 alpha_off12.37420YesYesNoNo88
202x45 4x46 alpha_off11.26821.78885NoYesNoNo98
212x53 2x56 alpha_off21.32140NoNoNoNo88
223x28 Lig alpha_off36.870YesYesYesYes50
235x39 E2 alpha_off27.92474.55254YesYesYesYes84
243x33 Lig alpha_off12.63631.59875NoNoYesYes60
253x33 4x57 alpha_off11.31030NoNoNoNo68
263x43 6x44 alpha_off30.61120NoNoYesYes89
273x43 6x41 alpha_off27.48270NoNoNoNo88
282x39 I2x57 alpha_off17.91930.229089NoNoYesYes86
295x58 6x41 alpha_off26.41317.76467YesYesNoNo98
30I2x56 I2x57 alpha_off12.37420NoNoYesYes56
314x41 I2x56 alpha_off10.15842.80269NoNoNoNo65
326x58 E2 alpha_off18.88180NoNoYesYes44
336x58 E3 alpha_off15.3632.09593NoNoYesYes43
343x28 E1x50 Shared15.684461.1913YesYesYesYes58
353x32 Lig Shared13.032423.8009NoNoYesYes70
367x42 Lig Shared15.527562.2197YesYesYesYes70
375x47 6x44 Shared31.902711.201YesYesYesYes89
386x52 Lig Shared60.895110.9768YesYesYesYes70
396x44 6x48 Shared92.922249.7368YesYesYesYes98
406x51 Lig Shared29.70811.2156YesYesYesYes70
418x47 8x50 Shared17.343414.9883NoNoYesYes88
428x47 8x49 Shared11.771513.3311NoNoYesYes87
432x42 3x49 Shared18.711519.536YesYesYesYes89
442x56 3x28 Shared11.784945.0868NoNoYesYes85
452x56 3x32 Shared11.970522.7578NoNoNoNo87
462x53 3x35 Shared18.669413.994NoNoNoYes86
475x43 Lig Shared37.721523.6742NoNoYesYes70
485x39 5x43 Shared36.605922.3777YesYesNoNo87
493x47 5x58 Shared10.210114.998NoNoYesYes99
502x50 7x46 Shared10.210117.3962NoYesNoNo99
511x36 2x61 alpha_on1.3738514.7787NoNoNoNo66
521x39 2x61 alpha_on3.1782216.2556NoNoNoNo76
531x39 7x39 alpha_on5.4303317.5424NoNoNoNo76
547x39 7x42 alpha_on6.622419.0096NoNoYesYes67
556x48 Lig alpha_on0100YesYesYesYes80
566x48 7x45 alpha_on077.5005YesYesNoNo89
577x45 7x49 alpha_on076.0382NoNoNoYes99
582x50 7x49 alpha_on098.45NoYesNoYes99
591x50 2x50 alpha_on5.7096990.115NoYesNoYes99
601x46 1x50 alpha_on022.4264NoNoNoYes89
611x46 2x54 alpha_on1.1480612.2782NoNoNoNo87
621x50 7x50 alpha_on4.5750362.8875NoYesNoNo99
631x53 7x50 alpha_on058.6469NoNoNoNo99
641x53 7x54 alpha_on057.1798NoNoNoNo97
657x54 8x54 alpha_on1.1480618.6245NoNoYesNo77
661x52 8x54 alpha_on9.7623515.4416NoNoYesNo77
671x52 8x57 alpha_on6.6128313.76NoNoNoYes76
687x54 8x50 alpha_on039.5886NoNoYesYes78
698x50 I1x50 alpha_on5.7096916.6553YesYesNoYes88
708x49 I1x50 alpha_on013.487YesYesNoYes78
715x54 6x44 alpha_on059.651NoNoYesYes89
725x54 5x58 alpha_on033.9101NoNoYesYes89
733x50 5x58 alpha_on035.7721NoNoYesYes99
743x46 3x50 alpha_on031.0294NoNoNoNo99
752x42 3x46 alpha_on1.1423229.8986YesYesNoNo89
763x49 I2x57 alpha_on0.48027210.8696YesYesYesYes96
773x47 5x54 alpha_on025.0195NoNoNoNo98
783x47 5x57 alpha_on9.0907437.946NoNoNoNo96
793x51 5x57 alpha_on7.9675533.8419NoYesNoNo86
803x51 3x52 alpha_on015.6415NoYesNoNo85
813x52 I2x53 alpha_on4.4410912.3757NoNoNoYes57
822x46 7x49 alpha_on016.5481NoYesNoYes99
832x46 3x42 alpha_on1.1423217.3962NoYesNoYes97
842x53 7x46 alpha_on015.6999NoNoNoNo89
852x56 7x42 alpha_on024.7368NoNoYesYes87
862x54 2x57 alpha_on010.5527NoNoYesNo78
872x60 7x42 alpha_on1.1289324.7612NoNoYesYes77
882x60 3x28 alpha_on023.606NoNoYesYes75
896x51 7x34 alpha_on0.41712912.6682YesYesNoNo74
90E1x50 E1x52 alpha_on7.8412641.0363YesYesNoNo85
91E1x51 E1x52 alpha_on020.6376NoNoNoNo35
92E1x49 E1x51 alpha_on1.708712.4098NoNoNoNo43
933x24 E1x52 alpha_on016.5286YesYesNoNo55
943x43 7x49 alpha_on051.4866NoNoNoYes89
953x43 7x53 alpha_on050.8091NoNoYesYes89
965x47 6x48 alpha_on020.4133YesYesYesYes88
975x58 6x37 alpha_on032.906YesYesNoNo90
985x62 6x37 alpha_on031.278NoYesNoNo50
995x62 6x33 alpha_on026.009NoYesNoNo50
1006x30 6x33 alpha_on022.5239NoNoNoNo00
1018x48 8x49 alpha_on4.5750320.077NoNoYesYes57
1028x48 8x51 alpha_on2.2942113.3116NoNoNoNo58
1035x58 6x40 alpha_on018.293YesYesNoNo98
1045x47 6x49 alpha_on1.7546230.001YesYesNoYes87
1056x49 6x53 alpha_on1.1729420.3548NoYesNoNo76
1062x38 I2x57 alpha_on010.7916NoNoYesYes76
1075x461 Lig alpha_on012.5512NoNoYesYes60
1083x37 5x461 alpha_on1.4255111.0158NoNoNoNo76
1096x53 6x57 alpha_on0.58742518.3418NoNoNoNo65
1105x69 6x30 alpha_on020.657NoNoNoNo50
1113x51 5x61 alpha_on011.6982NoYesNoNo89
1126x57 E3 alpha_on016.319NoNoYesYes53
1131x36 2x65 alpha_on011.7957NoNoNoNo65
1143x50 7x53 alpha_on030.7126NoNoYesYes99
1156x40 7x53 alpha_on017.8495NoNoYesYes89

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
2x63Ligalpha_off5.08500010
3x28Ligalpha_off5.7200010
3x32LigShared18.95512.16331110
3x33LigShared7.749.236670010
3x36LigShared6.248.838330110
5x43LigShared4.1652.935830010
6x51LigShared10.8411.16921110
6x52LigShared6.053.655831110
6x55LigShared6.6758.063331110
7x38LigShared16.3315.451110
7x42LigShared5.0157.48251110
2x563x28Shared4.385.808330121
2x563x32Shared4.387.394170121
2x577x39alpha_off4.0501022
2x577x42alpha_off10.0501021
2x593x28Shared4.0956.36250021
2x63E1x50Shared4.9553.201670012
3x28E1x50Shared9.073.940012
3x327x42Shared5.756.91111
3x334x57alpha_off4.8500012
3x366x48Shared5.2253.480830111
3x374x57alpha_off400022
3x375x461Shared7.9956.393330021
3x406x44alpha_off5.71500022
5x395x43Shared6.9959.326672321
5x406x55Shared8.7758.64750021
5x475x48Shared7.945.8950122
5x476x44Shared3.6154.555830122
5x476x52Shared18.2220.71330121
6x446x48Shared8.164.343330121
6x486x51alpha_off4.5101111
6x486x52Shared4.517.1851111
6x487x41Shared9.156.096671112
6x516x52alpha_off8.0401111
6x516x55Shared8.0554.21251111
6x517x34Shared4.825.894171112
6x517x38Shared4.827.231671111
7x347x38alpha_off3.7501021
7x357x38alpha_off3.7200021
7x397x42Shared10.615.46751021
2x607x42Shared3.8155.616670021
6x447x45alpha_off5.6500122
5x446x52alpha_off3.4800121
E2x52Ligalpha_off3.3500010
4x62E2x52alpha_off1.4900021
2x567x42alpha_on04.128330121
2x603x28alpha_on03.92250021
3x406x48alpha_on08.9050021
6x55E2x52alpha_on02.983331111
5x486x52alpha_on03.124170121
6x487x45alpha_on09.32251112
6x48Ligalpha_on04.326671110
7x387x42alpha_on011.60331111
5x461Ligalpha_on04.166670010
5x476x48alpha_on03.173330121
5x445x48alpha_on03.4550122
5x446x55alpha_on02.99250121
7x347x35alpha_on03.16751022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
alpha_off alpha1_off
alpha2_off
alpha_on alpha1_on
alpha2_on
Network Difference
Value alpha_off alpha_on
Imin 3.53 2.8675
Number of Linked Nodes 259 261
Number of Specific Nodes 9 (3.47%) 11  (4.21%)
Number of Shared Nodes 250 (96.53%) 250  (95.79%)
Number of Links 278 290
Number of Specific Links 127 (45.68%) 139  (47.93%)
Number of Shared Links 151 (54.32%) 151  (52.07%)
Number of Hubs 26 39
Number of Specific Hubs 6 (23.08%) 19  (48.72%)
Number of Shared Hubs 20 (76.92%) 20  (51.28%)
Average % Shared Neighbours (Jaccard) 38.55
Average % Shared Neighbours (Otsuka) 48.34
Average % Shared Neighbours (Overlap Coefficient) 58.80
Average % Shared Cliques (k3-6) 80.36
Graphlets Similarity 0.539874
Paths Difference
Value alpha_off alpha_on
Number Of Nodes in MetaPath 46 76
Specific Nodes in MetaPath 16 (34.78%) 46  (60.53%)
Shared Nodes in MetaPath 250 (96.53%) 250  (96.53%)
Number Of Links MetaPath 50 82
Specific Links in MetaPath 33 (66.00%) 65  (79.27%)
Shared Links in MetaPath 151 (54.32%) 151  (54.32%)
Number of Shortest Paths 84168 53517
Length Of Smallest Path 3 3
Average Path Length 13.8219 12.7482
Length of Longest Path 28 27
Minimum Path Strength 0.7625 0.323333
Average Path Strength 5.54152 5.23513
Maximum Path Strength 17.6425 14.6042
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.912763 0.919806
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.54545 4.54545
Average % Of Corr. Nodes 40.7013 45.8683
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 42.5804 45.2693
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 alpha_off_on.zip<



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