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
11x46 beta_off00437
21x57 beta_off00437
32x41 beta_off00415
42x59 beta_off00424
53x27 beta_off00414
63x41 beta_off33.33330436
73x49 beta_off61.904833.3333439
83x50 beta_off500429
93x56 beta_off00436
104x50 beta_off00439
11E2x52 beta_off500424
125x39 beta_off41.666744.4444437
135x68 beta_off00417
146x31 beta_off21.42860425
156x41 beta_off00428
166x59 beta_off00425
177x33 beta_off00424
188x54 beta_off00437
191x60 Shared016.6667466
202x42 Shared78.571422.2222568
212x50 Shared8.3333388.8889459
22E1x50 Shared100100777
23E1x52 Shared85.71430445
24I2x53 Shared500647
25E2 Shared10010012123
265x47 Shared0100467
275x50 Shared033.3333449
286x44 Shared10038.8889549
296x48 Shared92.8571100678
306x51 Shared92.8571100567
316x52 Shared92.8571100557
32E3 Shared84.5238100664
337x39 Shared41.66670456
347x42 Shared100100667
357x53 Shared91.666738.8889559
368x50 Shared100100668
37Lig Shared10010012140
381x39 beta_on00346
392x40 beta_on016.6667359
402x46 beta_on044.4444149
413x28 beta_on033.3333356
423x51 beta_on016.6667348
434x58 beta_on00255
445x58 beta_on50100369
455x60 beta_on016.6667345
465x62 beta_on00246
47I3 beta_on00340
486x49 beta_on00247
496x55 beta_on033.3333246
507x49 beta_on083.3333349
517x52 beta_on00348
521x31 beta_on00243
   
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_off52.32552.2527NoNoYesYes77
22x53 2x56 beta_off1000NoNoNoNo87
31x46 7x46 beta_off16.78969.18267YesNoNoNo79
41x50 2x47 beta_off11.82830NoNoNoNo98
51x54 2x47 beta_off10.15995.0064NoNoNoNo78
67x49 7x53 beta_off44.18810NoYesYesYes99
77x53 8x50 beta_off41.52310YesYesYesYes98
81x52 8x54 beta_off10.64186.99214NoNoYesNo67
98x50 I1x50 beta_off13.09870.639971YesYesNoNo88
103x34 4x57 beta_off73.13453.91662NoNoNoNo57
113x34 4x50 beta_off71.71070NoNoYesNo59
126x48 Lig beta_off15.93170YesYesYesYes80
136x44 6x48 beta_off14.73790YesYesYesYes98
144x61 E2 beta_off32.79794.26038NoNoYesYes63
153x30 4x61 beta_off31.88892.50869NoNoNoNo66
163x30 4x58 beta_off31.23542.44286NoNoNoYes65
173x27 4x58 beta_off30.14381.84312YesNoNoYes45
183x24 3x27 beta_off26.9020NoNoYesNo44
192x59 3x24 beta_off25.79950YesNoNoNo44
202x59 E1x52 beta_off16.62530YesNoYesYes45
21E1x51 E1x52 beta_off14.65032.04059NoNoYesYes45
222x66 E1x51 beta_off12.27730NoNoNoNo44
23I2x52 I2x53 beta_off38.86540NoNoYesYes57
245x68 I2x52 beta_off37.81030YesNoNoNo75
253x54 5x68 beta_off30.16210NoNoYesNo97
263x54 5x64 beta_off29.09974.22015NoNoNoNo96
273x55 5x64 beta_off26.88740NoNoNoNo76
28E2 E3 beta_off20.14460YesYesYesYes34
293x51 5x61 beta_off15.38770NoYesNoNo89
305x58 5x61 beta_off14.19760NoYesNoNo99
316x40 7x49 beta_off16.89910NoNoNoYes89
326x40 7x52 beta_off16.42450NoNoNoYes88
331x32 2x66 beta_off11.0580NoNoNoNo54
341x42 1x46 beta_off10.15990NoNoYesNo67
352x56 3x32 beta_off48.86461.95282NoNoNoNo77
363x32 Lig beta_off49.30273.75571NoNoYesYes70
372x53 7x46 Shared95.151911.461NoNoNoNo89
382x50 7x46 Shared81.217122.7427YesYesNoNo99
391x50 2x50 Shared20.060622.7427NoNoYesYes99
402x50 7x49 Shared62.536535.959YesYesNoYes99
418x50 8x54 Shared15.610411.9583YesYesYesNo87
427x42 Lig Shared56.217142.8232YesYesYesYes70
433x33 Lig Shared74.529115.2532NoNoYesYes60
443x33 4x57 Shared73.835413.4613NoNoNoNo67
452x45 4x50 Shared69.520316.8733NoNoYesNo99
462x45 4x46 Shared68.023519.0967NoNoNoNo97
472x42 4x46 Shared62.613218.8481YesYesNoNo87
482x42 3x49 Shared57.688492.5581YesYesYesNo89
49E2x52 Lig Shared62.810335.4178YesNoYesYes40
50E2 E2x52 Shared58.586433.7795YesYesYesNo34
515x461 Lig Shared12.003521.5506NoNoYesYes60
523x37 5x461 Shared10.82820.5156NoNoNoNo66
533x49 I2x53 Shared51.617319.8537YesNoYesYes97
543x51 3x55 Shared20.075214.6645NoYesNoNo87
556x52 Lig Shared14.01548.3781YesYesYesYes70
565x47 6x52 Shared12.591314.7632YesYesYesYes77
571x39 7x39 beta_on4.3552930.3675NoYesYesYes66
587x39 7x42 beta_on7.0860141.9857YesYesYesYes67
597x38 7x42 beta_on0.91997710.693NoNoYesYes67
606x51 7x38 beta_on0.71188711.5268YesYesNoNo76
616x48 6x51 beta_on0.19348751.5012YesYesYesYes87
626x48 7x45 beta_on0100YesYesNoNo89
637x45 7x49 beta_on097.2353NoNoNoYes99
646x51 Lig beta_on2.0553437.1YesYesYesYes70
653x36 Lig beta_on1.2156835.3191NoNoYesYes60
663x36 6x48 beta_on0.11682235.7689NoNoYesYes68
676x48 6x52 beta_on0.87251835.9298YesYesYesYes87
681x50 2x51 beta_on013.7319NoNoNoNo97
693x43 7x49 beta_on074.4012NoNoNoYes89
703x43 7x53 beta_on083.6679NoNoYesYes89
713x46 7x53 beta_on086.6264NoNoYesYes99
722x42 3x46 beta_on2.1247184.9259YesYesNoNo89
732x39 3x49 beta_on072.3533NoNoYesNo89
742x37 2x39 beta_on070.0713NoNoNoNo78
752x37 2x40 beta_on1.7085367.7747NoNoNoYes79
762x40 8x50 beta_on3.1834132.7811NoYesYesYes98
773x37 4x53 beta_on7.279516.61NoNoNoNo68
783x38 4x53 beta_on016.0249NoNoNoNo78
793x38 4x50 beta_on1.2667915.8932NoNoYesNo79
807x54 8x50 beta_on012.4666NoNoYesYes68
812x40 I1x50 beta_on025.6244NoYesNoNo98
821x60 I1x50 beta_on6.4106323.8252YesYesNoNo68
83I2x53 I2x57 beta_on3.7346712.4593YesYesNoNo76
843x28 Lig beta_on027.3725NoYesYesYes60
853x28 E1x50 beta_on0.11682219.9232NoYesYesYes67
86E1x50 E1x52 beta_on0.35776910.1445YesYesYesYes75
873x40 6x48 beta_on051.4354NoNoYesYes88
883x40 5x50 beta_on5.3847867.8844NoNoYesYes89
895x47 6x44 beta_on019.0858YesYesYesYes79
903x41 5x50 beta_on0.63887316.7307YesNoYesYes69
913x44 5x50 beta_on2.5299446.8459NoNoYesYes69
925x54 6x44 beta_on037.9265NoNoYesYes89
935x54 5x58 beta_on037.3414NoNoNoYes89
943x44 3x48 beta_on042.9256NoNoNoNo66
953x48 3x52 beta_on1.2740940.9545NoNoNoNo65
963x51 3x52 beta_on038.976NoYesNoNo85
973x51 5x60 beta_on3.8076820.8411NoYesNoYes85
983x55 3x56 beta_on6.3120612.591NoNoYesNo76
993x41 4x52 beta_on3.9500612.591YesNoNoNo64
1004x48 4x52 beta_on2.6394610.5101NoNoNoNo34
1015x43 Lig beta_on3.9902213.4394NoNoYesYes60
1025x39 5x43 beta_on3.3002311.7133YesNoNoNo76
1034x60 5x39 beta_on010.1627NoNoYesNo77
1045x40 E2 beta_on010.1445NoNoYesYes63
1055x47 6x49 beta_on2.5737416.6904YesYesNoYes77
1065x58 6x37 beta_on029.1863NoYesNoNo98
1075x58 6x40 beta_on021.4591NoYesNoNo98
1085x62 6x37 beta_on026.2351NoYesNoNo68
1095x62 5x66 beta_on3.3221416.0834NoYesNoNo65
1107x52 7x53 beta_on021.6164NoYesYesYes89
1116x49 6x50 beta_on010.7223NoYesNoNo79
1125x66 6x30 beta_on014.5548NoNoNoNo57
1135x69 6x30 beta_on011.7608NoNoNoNo57
1145x60 5x64 beta_on014.6645NoYesNoNo56
1156x39 7x52 beta_on8.1264612.9091NoNoNoYes78
1166x39 7x55 beta_on6.4361911.0697NoNoNoNo77
1171x35 2x65 beta_on018.5921NoNoNoNo45
1181x36 2x65 beta_on2.5262920.8448NoNoNoNo55
1191x36 1x39 beta_on023.2949NoNoNoYes56
1201x31 1x35 beta_on1.807116.1163NoYesNoNo34
1213x50 5x58 beta_on021.3238YesNoNoYes99
1222x46 2x50 beta_on013.1103NoYesYesYes99
1232x46 3x43 beta_on1.2667910.3566NoYesNoNo98
1243x40 6x44 beta_on6.5603121.6127NoNoYesYes89
1253x50 7x53 beta_on021.1995YesNoYesYes99
1266x40 7x53 beta_on1.1317221.1922NoNoYesYes89

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
2x563x32Shared6.743817.221121
2x567x42Shared4.94.281121
2x577x42Shared3.683453.788330021
2x59E1x50Shared3.68443.406673122
2x593x28Shared6.37198.3153121
2x603x28Shared3.885713.438330021
3x28E1x50Shared11.02399.632223112
3x29E2x52beta_off6.99500021
3x327x42Shared10.04179.577221111
3x32LigShared18.763616.72941110
3x334x57Shared5.461074.306670012
3x33LigShared11.4789.303890010
3x366x48Shared8.479529.2651011
3x36LigShared5.302267.217781010
3x375x461Shared8.277989.145560021
3x406x44Shared6.716675.580560022
E2E2Shared114.86870.71331122
E2E2x52Shared14.7815.935561121
5x39E2Shared12.04967.117781122
E2E2x51Shared13.10839.197221122
5x39E2x52beta_off4.4711901121
E2x52LigShared9.0340516.91391110
5x395x43Shared14.04989.608891121
5x43LigShared6.967385.980560010
5x446x52Shared3.635.501670021
5x461LigShared3.66194.192780010
5x476x52Shared31.997119.58720121
6x446x48beta_off11.191900121
6x447x45beta_off6.9042900122
6x486x51Shared5.225245.290561111
6x486x52Shared5.082866.014441111
6x487x41Shared12.43510.71171112
6x48Ligbeta_off3.8354801110
6x516x52Shared7.707149.111111
6x517x34Shared8.488815.135561112
6x517x38Shared11.448715.30561111
6x51LigShared9.141317.7351110
6x52LigShared11.80455.659441110
6x557x34Shared4.938574.948330112
6x55LigShared8.271193.644440110
7x387x42Shared12.891311.62891111
7x38LigShared13.484414.82891110
7x397x42Shared13.82365.037780021
7x42LigShared5.014175.011671110
7x31E2x51beta_off2.9635700012
7x357x39beta_off2.400012
3x28Ligbeta_on06.052783110
3x406x48beta_on06.720021
5x446x55beta_on04.138890021
5x476x44beta_on06.788330122
5x476x48beta_on03.341670121
6x487x45beta_on07.596111112
6x516x55beta_on07.383331111
7x35Ligbeta_on03.281110010
3x283x29beta_on02.494443112
7x31Ligbeta_on01.686110010

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 3.57643 3.30556
Number of Linked Nodes 272 263
Number of Specific Nodes 15 (5.51%) 6  (2.28%)
Number of Shared Nodes 257 (94.49%) 257  (97.72%)
Number of Links 293 293
Number of Specific Links 122 (41.64%) 122  (41.64%)
Number of Shared Links 171 (58.36%) 171  (58.36%)
Number of Hubs 37 34
Number of Specific Hubs 18 (48.65%) 15  (44.12%)
Number of Shared Hubs 19 (51.35%) 19  (55.88%)
Average % Shared Neighbours (Jaccard) 44.94
Average % Shared Neighbours (Otsuka) 52.57
Average % Shared Neighbours (Overlap Coefficient) 59.84
Average % Shared Cliques (k3-6) 58.33
Graphlets Similarity 0.663372
Paths Difference
Value beta_off beta_on
Number Of Nodes in MetaPath 56 83
Specific Nodes in MetaPath 22 (39.29%) 49  (59.04%)
Shared Nodes in MetaPath 257 (94.49%) 257  (94.49%)
Number Of Links MetaPath 56 90
Specific Links in MetaPath 36 (64.29%) 70  (77.78%)
Shared Links in MetaPath 171 (58.36%) 171  (58.36%)
Number of Shortest Paths 49512 72777
Length Of Smallest Path 3 3
Average Path Length 15.6277 13.6413
Length of Longest Path 39 29
Minimum Path Strength 0.453125 0.280556
Average Path Strength 6.55711 5.45009
Maximum Path Strength 21.9008 15.8714
Minimum Path Correlation 0.701905 0.7
Average Path Correlation 0.913327 0.919705
Maximum Path Correlation 0.989167 0.99
Minimum % Of Corr. Nodes 2.94118 4
Average % Of Corr. Nodes 42.2113 43.7383
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 38.9023 42.849
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<



You can click to copy the link of this page to easily come back here later

or use this QR code to link and share this page.



You can also  read or  download a guide explaining the meaning of all files and numerical data.