Orange: nodes, hubs and links specific of beta_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of beta_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 beta_off Avg Int. Strength beta_on Avg Int. Strength beta_off Num Of Links beta_on Num Of Links ConSurf
12x59 beta_off00424
23x27 beta_off00414
33x41 beta_off500436
43x49 beta_off67.857133.3333439
53x50 beta_off508.33333429
63x56 beta_off00436
74x50 beta_off016.6667439
8E2x52 beta_off5016.6667424
96x31 beta_off28.57140425
106x41 beta_off00518
116x59 beta_off00425
121x50 Shared00449
131x60 Shared025466
142x42 Shared92.857116.6667558
15E1x50 Shared100100767
16E1x52 Shared85.71430445
17I2x53 Shared508.33333647
18E2 Shared10010010143
195x39 Shared5075557
205x47 Shared0100457
215x58 Shared50100479
226x44 Shared10091.6667549
236x48 Shared92.8571100668
246x51 Shared92.857191.6667577
256x52 Shared92.8571100557
26E3 Shared85.714366.6667774
277x39 Shared250466
287x42 Shared100100667
297x53 Shared10058.3333549
308x50 Shared100100668
31Lig Shared10010012120
321x31 beta_on00243
332x40 beta_on066.6667359
342x46 beta_on058.3333249
352x50 beta_on083.3333359
363x28 beta_on033.3333356
373x51 beta_on025248
384x46 beta_on00247
394x58 beta_on033.3333345
405x50 beta_on08.33333349
415x60 beta_on00355
425x62 beta_on00246
43I3 beta_on08.33333140
446x49 beta_on016.6667247
457x34 beta_on016.6667344
467x37 beta_on00345
477x49 beta_on066.6667349
487x55 beta_on00347
   
Orange: nodes, hubs and links specific of beta_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of beta_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 beta_off Recurrence beta_on Recurrence beta_off Hub1? beta_on Hub1? beta_off Hub2? beta_on Hub2? ConSurf1 ConSurf2
12x56 7x42 beta_off54.11992.00705NoNoYesYes77
22x53 2x56 beta_off1000NoNoNoNo87
37x49 7x53 beta_off51.44290NoYesYesYes99
47x53 8x50 beta_off47.61420YesYesYesYes98
56x48 Lig beta_off71.90290YesYesYesYes80
66x44 6x48 beta_off82.39220YesYesYesYes98
73x43 6x44 beta_off70.91630NoNoYesYes89
83x49 I2x53 beta_off38.93668.83509YesNoYesYes97
9I2x53 I2x57 beta_off10.30415.57877YesYesNoNo76
102x42 3x46 beta_off20.4970YesYesNoNo89
113x26 E2 beta_off23.25821.62202NoNoYesYes63
123x26 4x62 beta_off22.51070NoNoNoNo64
134x58 4x62 beta_off21.68570NoYesNoNo54
143x27 4x58 beta_off41.19271.65888YesNoNoYes45
153x24 3x27 beta_off32.670NoNoYesNo44
162x59 3x24 beta_off30.51490YesNoNoNo44
174x61 E2 beta_off23.29195.22241NoNoYesYes63
183x30 4x61 beta_off22.4777.58581NoNoNoNo66
193x30 4x58 beta_off21.62174.07143NoNoNoYes65
202x59 E1x50 beta_off11.00450YesNoYesYes47
212x59 E1x52 beta_off13.24388.80233YesNoYesYes45
22I2x52 I2x53 beta_off17.81320NoNoYesYes57
235x68 I2x52 beta_off16.7020NoNoNoNo75
243x54 5x68 beta_off14.91060NoNoNoNo97
253x54 5x64 beta_off13.79262.96961NoNoNoNo96
263x55 5x64 beta_off10.60040NoNoNoNo76
276x51 7x34 beta_off24.95548.95797YesYesNoYes74
286x54 7x34 beta_off36.42464.08782NoNoNoYes44
296x54 E3 beta_off21.52413.01057NoNoYesYes44
305x37 E3 beta_off12.86330NoNoYesYes54
316x55 Lig beta_off14.08560NoNoYesYes60
326x55 7x34 beta_off13.22360.299009NoNoNoYes64
335x37 6x59 beta_off11.00785.39035NoNoYesNo55
343x46 6x41 beta_off18.57760NoNoYesNo98
356x40 7x49 beta_off13.78250NoNoNoYes89
366x40 7x52 beta_off12.67130NoNoNoNo88
376x44 7x45 beta_off19.03560YesYesNoNo99
386x54 7x37 beta_off13.18650NoNoNoYes45
398x47 8x50 beta_off10.99444.4114NoNoYesYes88
406x43 7x45 beta_off14.63110NoNoNoNo69
414x60 5x39 beta_off11.20996.83215NoNoYesYes77
426x43 7x48 beta_off13.51314.4196NoNoNoNo66
437x43 7x48 beta_off11.2572.21185NoNoNoNo46
441x42 7x43 beta_off10.11890NoNoNoNo64
452x56 3x32 beta_off47.37851.71213NoNoNoNo77
463x32 Lig beta_off47.96783.2891NoNoYesYes70
477x39 7x42 Shared10.967435.2667YesYesYesYes67
482x53 7x46 Shared95.454110.9732NoNoNoNo89
492x50 7x46 Shared87.742921.7457NoYesNoNo99
501x50 2x50 Shared22.423181.6622YesYesNoYes99
512x50 7x49 Shared66.905784.1935NoYesNoYes99
528x50 8x54 Shared12.859910.5472YesYesNoNo87
538x50 I1x50 Shared16.580827.9512YesYesNoNo88
541x60 I1x50 Shared11.004526.0957YesYesNoNo68
557x42 Lig Shared58.231538.1052YesYesYesYes70
562x46 3x43 Shared70.242819.6158NoYesNoNo98
572x46 3x42 Shared69.562618.9727NoYesNoNo98
582x45 3x42 Shared68.875617.3507NoNoNoNo98
592x45 4x46 Shared64.612618.6409NoNoNoYes97
602x42 4x46 Shared63.878515.0406YesYesNoYes87
612x42 3x49 Shared45.156110.8667YesYesYesNo89
62E2x52 Lig Shared59.325931.6581YesNoYesYes40
63E2 E2x52 Shared49.8430.3637YesYesYesNo34
646x51 Lig Shared13.917234.2508YesYesYesYes70
655x47 6x52 Shared10.72529.7534YesYesYesYes77
666x39 7x52 Shared10.805812.8205NoNoNoNo78
671x39 7x39 beta_on7.9671325.256NoNoYesYes66
686x51 7x38 beta_on5.2597910.0475YesYesNoNo76
696x48 6x51 beta_on7.1488749.4225YesYesYesYes87
706x48 7x45 beta_on0100YesYesNoNo89
717x45 7x49 beta_on096.9526NoNoNoYes99
723x36 Lig beta_on0.90581530.1016NoNoYesYes60
733x36 6x48 beta_on0.46132630.4252NoNoYesYes68
746x52 Lig beta_on8.2567352.0726YesYesYesYes70
756x48 6x52 beta_on4.0340834.3246YesYesYesYes87
761x50 2x47 beta_on5.6941864.336YesYesNoNo98
771x53 2x47 beta_on058.4132NoNoNoNo98
781x53 7x54 beta_on056.4225NoNoNoNo96
797x54 8x50 beta_on054.4237NoNoYesYes68
805x461 Lig beta_on7.6607113.0827NoNoYesYes60
813x37 5x461 beta_on6.485511.6204NoNoNoNo66
823x43 7x49 beta_on030.4579NoNoNoYes89
833x28 Lig beta_on032.5715NoYesYesYes60
842x59 3x28 beta_on4.4415310.5349YesNoNoYes46
853x28 E1x50 beta_on0.067346917.4121NoYesYesYes67
86E1x51 E1x52 beta_on8.9537710.6128NoNoYesYes45
873x33 Lig beta_on4.8557112.7509NoNoYesYes60
883x33 4x57 beta_on3.6737711.1944NoNoNoNo67
895x43 Lig beta_on9.0615214.4466NoNoYesYes60
905x39 5x43 beta_on8.4149913.1605YesYesNoNo76
913x40 6x48 beta_on025.1864NoNoYesYes88
923x40 5x50 beta_on4.8826520.0254NoNoNoYes89
935x47 6x44 beta_on025.5304YesYesYesYes79
943x41 5x50 beta_on2.6467310.1131YesNoNoYes69
953x43 7x53 beta_on048.3411NoNoYesYes89
965x54 6x44 beta_on033.2309NoNoYesYes89
975x54 5x58 beta_on033.0794NoNoYesYes89
985x57 5x58 beta_on029.6715NoNoYesYes69
993x51 5x57 beta_on028.3403NoYesNoNo86
1003x51 3x55 beta_on4.7782610.0025NoYesNoNo87
1013x51 5x60 beta_on3.5929614.291NoYesNoYes85
1025x58 6x37 beta_on027.1688YesYesNoNo98
1035x62 6x37 beta_on025.7885NoYesNoNo68
1045x62 5x66 beta_on4.1384716.4209NoYesNoNo65
1055x60 5x64 beta_on010.2851NoYesNoNo56
1067x52 7x53 beta_on021.4426NoNoYesYes89
1076x51 7x37 beta_on011.0224YesYesNoYes75
1085x66 6x30 beta_on015.0078NoNoNoNo57
1095x69 6x30 beta_on012.3781NoNoNoNo57
1106x39 7x55 beta_on8.9301910.9855NoNoNoYes77
1111x35 1x39 beta_on6.1925421.1887NoNoNoNo46
1121x31 1x35 beta_on2.0204112.7673NoYesNoNo34
1133x50 5x58 beta_on029.5855YesNoYesYes99
1142x46 2x50 beta_on019.5339NoYesNoYes99
1153x50 7x53 beta_on029.5445YesNoYesYes99

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
2x563x32Shared6.726439.005831121
2x567x42Shared4.8254.7351121
2x577x42Shared3.561793.26250021
2x59E1x50beta_off3.75503022
2x593x28Shared5.691798.530833021
2x603x28Shared4.271073.6350021
3x28E1x50Shared11.716110.77833012
3x29E2x52beta_off6.1153600021
3x327x42Shared9.8492910.24751111
3x32LigShared18.75515.71110
3x334x57Shared5.826794.845830012
3x33LigShared9.717148.609170010
3x366x48Shared9.677868.889171011
3x36LigShared4.915367.003331010
3x374x57beta_off4.5689300022
3x375x461Shared8.450368.5250021
3x406x44Shared7.22255.021670022
E2E2Shared114.49966.46171122
E2E2x52Shared14.787.491121
5x39E2Shared11.88968.719171122
5x39E2x52beta_off4.3492901121
E2x52LigShared9.0457118.19171110
5x395x43Shared14.80648.47751121
5x43LigShared6.567867.213330010
5x461LigShared3.688215.451670010
5x476x52Shared32.609318.21830121
6x446x48beta_off10.701400121
6x447x45beta_off6.947500122
6x486x51Shared5.833214.8451111
6x486x52Shared5.4057.18251111
6x487x41Shared12.6711.0251112
6x48Ligbeta_off3.7057101110
6x516x52Shared7.349649.289171111
6x517x34Shared8.233215.911671112
6x517x38Shared11.521417.92331111
6x51LigShared9.098576.114171110
6x52LigShared12.08966.010831110
6x557x34Shared5.021435.5250112
6x55Ligbeta_off8.3417900110
7x387x42Shared12.46078.819171111
7x38LigShared14.563213.931110
7x397x42Shared13.39893.45750021
7x42LigShared4.449644.691110
5x446x52Shared3.205714.620830021
7x357x39beta_off2.400012
3x28Ligbeta_on05.90253010
3x406x48beta_on07.144170021
5x446x55beta_on03.7250021
5x476x44beta_on06.16250122
6x487x45beta_on08.19251112
6x517x37beta_on03.805831112
6x516x55beta_on04.83251111
7x35Ligbeta_on02.664170010
3x283x29beta_on01.923012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
beta_off beta1_off
beta2_off
beta_on beta1_on
beta2_on
beta3_on
Network Difference
Value beta_off beta_on
Imin 3.5375 3.33833
Number of Linked Nodes 263 263
Number of Specific Nodes 7 (2.66%) 7  (2.66%)
Number of Shared Nodes 256 (97.34%) 256  (97.34%)
Number of Links 287 295
Number of Specific Links 109 (37.98%) 117  (39.66%)
Number of Shared Links 178 (62.02%) 178  (60.34%)
Number of Hubs 31 37
Number of Specific Hubs 11 (35.48%) 17  (45.95%)
Number of Shared Hubs 20 (64.52%) 20  (54.05%)
Average % Shared Neighbours (Jaccard) 48.53
Average % Shared Neighbours (Otsuka) 56.33
Average % Shared Neighbours (Overlap Coefficient) 63.88
Average % Shared Cliques (k3-6) 57.69
Graphlets Similarity 0.62643
Paths Difference
Value beta_off beta_on
Number Of Nodes in MetaPath 66 67
Specific Nodes in MetaPath 29 (43.94%) 30  (44.78%)
Shared Nodes in MetaPath 256 (97.34%) 256  (97.34%)
Number Of Links MetaPath 66 69
Specific Links in MetaPath 46 (69.70%) 49  (71.01%)
Shared Links in MetaPath 178 (62.02%) 178  (62.02%)
Number of Shortest Paths 58847 59503
Length Of Smallest Path 3 3
Average Path Length 15.3214 12.1404
Length of Longest Path 32 25
Minimum Path Strength 0.560714 0.39125
Average Path Strength 6.30913 5.89601
Maximum Path Strength 22.3495 15.1436
Minimum Path Correlation 0.701071 0.7025
Average Path Correlation 0.914908 0.923424
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.33333 4.7619
Average % Of Corr. Nodes 42.3264 49.6974
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 35.1853 47.4394
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 beta_off_on.zip<



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