Orange: nodes, hubs and links specific of beta1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of beta1_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 beta1_off Avg Int. Strength beta1_on Avg Int. Strength beta1_off Num Of Links beta1_on Num Of Links ConSurf
1I1x50 beta1_off16.66670438
22x56 beta1_off33.33330427
33x34 beta1_off00435
43x41 beta1_off66.66670536
53x50 beta1_off1000639
6I2x53 beta1_off1000537
7E2.Y193 beta1_off00433
8E2x52 beta1_off1000634
95x48 beta1_off500525
105x68 beta1_off00417
116x31 beta1_off33.33330415
126x59 beta1_off00425
137x33 beta1_off33.33330434
148x54 beta1_off00427
151x46 Shared00447
161x57 Shared16.66670457
172x40 Shared33.333350449
182x42 Shared10050648
19E1x50 Shared100100767
20E1x52 Shared10050545
213x28 Shared33.333350446
223x37 Shared500446
233x49 Shared66.6667100449
244x50 Shared00449
25E2.W182 Shared100100645
265x39 Shared100100747
276x44 Shared10050549
286x48 Shared100100678
296x51 Shared100100567
306x52 Shared100100667
31E3.V320 Shared33.333350455
327x39 Shared83.33330556
337x42 Shared100100657
347x53 Shared83.3333100549
358x50 Shared100100668
36Lig Shared10010013150
372x46 beta1_on0100249
382x50 beta1_on0100359
393x32 beta1_on050347
403x51 beta1_on050348
414x58 beta1_on16.666750365
42E2.R183 beta1_on33.333350344
43E2.D184 beta1_on00344
445x47 beta1_on16.6667100367
455x58 beta1_on0100169
465x60 beta1_on050345
476x54 beta1_on00344
486x55 beta1_on0100246
497x34 beta1_on050344
507x49 beta1_on33.3333100359
517x55 beta1_on00347
   
Orange: nodes, hubs and links specific of beta1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of beta1_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 beta1_off Recurrence beta1_on Recurrence beta1_off Hub1? beta1_on Hub1? beta1_off Hub2? beta1_on Hub2? ConSurf1 ConSurf2
11x35 2x65 beta1_off14.09050NoNoNoNo45
21x32 2x65 beta1_off21.08760NoNoNoNo55
31x32 2x66 beta1_off36.65330NoNoNoNo54
42x66 E1x51 beta1_off40.13484.72453NoNoNoNo44
52x59 E1x52 beta1_off31.98860NoNoYesYes45
62x59 3x28 beta1_off33.67811.52004NoNoYesYes46
72x56 3x28 beta1_off77.03970YesNoYesYes76
82x56 7x42 beta1_off84.98090.663854YesNoYesYes77
92x53 2x56 beta1_off1000NoNoYesNo87
102x53 7x46 beta1_off95.49055.80407NoNoNoNo89
111x46 7x46 beta1_off11.08427.24656YesYesNoNo79
122x56 3x32 beta1_off76.44031.25946YesNoNoYes77
133x32 Lig beta1_off76.83471.1695NoYesYesYes70
143x33 Lig beta1_off73.02711.57898NoNoYesYes60
153x33 4x57 beta1_off72.22580NoNoNoNo67
163x34 4x57 beta1_off72.760.00310212YesNoNoNo57
173x34 4x58 beta1_off14.90113.04939YesNoNoYes55
183x31 4x58 beta1_off15.75833.05559NoNoNoYes55
192x551 3x31 beta1_off11.28611.52935NoNoNoNo45
207x42 Lig beta1_off83.02432.10944YesYesYesYes70
214x61 E2x52 beta1_off10.94130NoNoYesNo64
227x53 8x50 beta1_off49.1630YesYesYesYes98
238x50 8x54 beta1_off16.36087.57228YesYesYesNo87
248x50 I1x50 beta1_off10.84510.369152YesYesYesNo88
253x34 4x50 beta1_off71.14820YesNoYesYes59
262x45 4x50 beta1_off72.47746.47413NoNoYesYes99
273x49 I2x53 beta1_off11.33582.98424YesYesYesNo97
283x49 3x50 beta1_off58.98010YesYesYesNo99
296x48 Lig beta1_off21.33610YesYesYesYes80
306x44 6x48 beta1_off28.00710YesYesYesYes98
313x43 6x44 beta1_off20.53480NoNoYesYes89
322x46 3x43 beta1_off12.49118.53704NoYesNoNo98
33E2.W182 E2x52 beta1_off16.23030YesYesYesNo54
345x39 Lig beta1_off38.51670YesYesYesYes70
355x461 Lig beta1_off14.24584.27783NoNoYesYes60
363x37 5x461 beta1_off12.49428.70766YesYesNoNo66
373x43 5x54 beta1_off11.90410NoNoNoNo88
383x50 6x34 beta1_off56.82470YesNoNoNo97
395x61 6x34 beta1_off55.75020NoNoNoNo97
403x51 5x61 beta1_off54.57310NoYesNoNo89
413x51 3x55 beta1_off49.79049.87405NoYesNoNo87
423x55 5x64 beta1_off37.4950NoNoNoNo76
433x54 5x64 beta1_off31.06622.54994NoNoNoNo96
443x54 5x68 beta1_off29.71830NoNoYesNo97
453x55 3x56 beta1_off12.6068.85656NoNoNoNo76
46E2.W182 E2.Y193 beta1_off29.17170YesYesYesNo53
475x36 5x39 beta1_off15.90420NoNoYesYes57
485x36 E2.D184 beta1_off13.2835.87232NoNoNoYes54
49E2.A189 E2.Y193 beta1_off20.59690NoNoYesNo43
50E2.A189 E2.V202 beta1_off18.33291.6069NoNoNoNo44
51E2.V202 E2x51 beta1_off16.06260NoNoNoNo45
52E2.C198 E2x51 beta1_off13.78611.57898NoNoNoNo55
536x40 7x49 beta1_off15.53770NoNoNoYes89
546x40 7x52 beta1_off14.70540NoNoNoNo88
556x54 7x37 beta1_off15.59370NoYesNoNo45
566x55 Lig beta1_off19.19947.29929NoYesYesYes60
576x55 7x34 beta1_off18.12176.50205NoYesNoYes64
586x57 E3.V320 beta1_off12.54390.0310212NoNoYesYes55
598x47 8x50 beta1_off10.87616.47413NoNoYesYes88
605x68 6x20 beta1_off18.15580YesNoNoNo70
616x20 6x22 beta1_off16.93840NoNoNoNo00
621x29 1x32 beta1_off12.57180NoNoNoNo05
63E1x51 E1x52 Shared50.495418.5724NoNoYesYes45
64E1x50 E1x52 Shared32.227723.0767YesYesYesYes75
653x28 E1x50 Shared40.389528.7598YesYesYesYes67
66E2x52 Lig Shared29.053731.6416YesNoYesYes40
673x30 4x61 Shared15.460114.8654NoNoNoNo66
683x30 4x58 Shared13.907313.5656NoNoNoYes65
692x50 7x46 Shared84.751114.3907NoYesNoNo99
701x50 2x50 Shared14.096711.5616NoNoNoYes99
712x50 7x49 Shared69.862424.8759NoYesNoYes99
727x49 7x53 Shared52.722132.4358NoYesYesYes99
732x45 4x46 Shared81.145465.2252NoNoNoNo97
742x42 4x46 Shared80.10555.801YesYesNoNo87
752x42 3x49 Shared72.533350.0838YesYesYesYes89
762x46 3x42 Shared11.683673.2287NoYesNoNo98
775x39 E2.W182 Shared17.898122.8626YesYesYesYes75
786x52 Lig Shared14.531544.0036YesYesYesYes70
796x51 Lig Shared19.280135.9722YesYesYesYes70
806x51 7x34 Shared28.463622.8378YesYesNoYes74
816x54 7x34 Shared43.5220.2413NoYesNoYes44
826x54 E3.V320 Shared24.929317.3316NoYesYesYes45
832x45 3x42 Shared10.99171.9103NoNoNoNo98
847x39 Lig beta1_on013.395YesYesYesYes60
853x36 Lig beta1_on1.3385529.83NoNoYesYes60
863x36 6x48 beta1_on0.36647131.8216NoNoYesYes68
876x48 7x45 beta1_on0100YesYesNoNo89
887x45 7x49 beta1_on098.6351NoNoNoYes99
896x48 6x51 beta1_on4.639944.7388YesYesYesYes87
906x48 6x52 beta1_on3.4255733.6084YesYesYesYes87
912x46 7x49 beta1_on062.8366NoYesNoYes99
922x39 3x49 beta1_on1.2857543.5042NoNoYesYes89
932x37 2x39 beta1_on042.0617NoNoNoNo78
942x37 2x40 beta1_on1.8665240.6006NoNoYesYes79
952x40 8x50 beta1_on3.5373820.7501YesYesYesYes98
965x43 Lig beta1_on1.1273647.3353NoNoYesYes60
975x39 5x43 beta1_on0.18323646.1441YesYesNoNo76
984x61 5x39 beta1_on015.402NoNoYesYes67
993x28 Lig beta1_on032.8453YesYesYesYes60
100E2.T203 E2x52 beta1_on1.4503629.3151NoNoYesNo44
101E2.T203 E2.W182 beta1_on0.30746323.0798NoNoYesYes45
102E2.R183 E2.W182 beta1_on6.6368543.1164NoYesYesYes45
1033x40 6x48 beta1_on015.3555NoNoYesYes88
1045x47 6x52 beta1_on9.3325918.6469NoYesYesYes77
1055x47 6x44 beta1_on019.5682NoYesYesYes79
1063x40 5x50 beta1_on3.5932811.6857NoNoNoNo89
1075x49 5x50 beta1_on4.4566610.2463NoNoNoNo59
1085x54 6x44 beta1_on023.39NoNoYesYes89
1095x54 6x41 beta1_on7.9909322.8937NoNoNoNo88
1105x58 6x41 beta1_on1.3447622.7292NoYesNoNo98
1115x57 5x58 beta1_on024.5037NoNoNoYes69
1123x51 5x57 beta1_on023.3373NoYesNoNo86
1133x51 5x60 beta1_on4.3200111.1025NoYesNoYes85
114E2.R183 E2.Y193 beta1_on0.1149131.9798NoYesYesNo43
115E2.D184 E2.Y193 beta1_on026.2377NoYesYesNo43
116E2.D184 E2.D186 beta1_on4.1057214.6389NoYesNoNo41
117E2.D186 E2.P187 beta1_on1.3727111.7229NoNoNoNo11
118E1x49 E1x51 beta1_on7.0592312.4798NoNoNoNo34
1195x58 6x37 beta1_on013.1065NoYesNoNo98
1205x62 6x37 beta1_on012.0114NoNoNoNo68
1217x52 7x53 beta1_on021.8731NoNoYesYes89
1226x39 7x52 beta1_on7.4008514.0557NoNoNoNo78
1236x39 7x55 beta1_on5.5529711.1614NoNoNoYes77
1243x50 7x53 beta1_on020.9952YesNoYesYes99
1253x50 5x58 beta1_on018.6717YesNoNoYes99

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
1x397x39Shared7.5616711.050021
2x563x32Shared6.813337.31121
2x567x42Shared5.473.791121
2x577x39Shared4.086673.0651021
2x577x42beta1_off3.5783301021
2x59E1x50Shared5.511674.011122
2x593x28Shared7.016679.021121
2x603x28Shared5.163.5150021
2x63E1x50beta1_off4.1766700012
2x647x39Shared4.086673.0650021
3x28E1x50Shared10.9357.4951112
3x29E2x52Shared8.433.240021
3x327x42Shared10.723313.2151111
3x32LigShared18.9816.5951110
3x334x57beta1_off5.38500012
3x33LigShared11.981713.10010
3x366x48Shared9.603339.811111
3x36LigShared4.421676.7151110
3x374x57beta1_off3.7316704022
3x375x461Shared8.791678.794021
3x406x44Shared7.153335.650022
4x61E2.W182Shared5.676676.461222
4x61E2x52beta1_off3.5583301221
E2.W182E2x52beta1_off10.023301221
E2.T203E2.W182Shared4.0453.641022
5x39E2.W182Shared6.434.341212
E2.T203E2x52Shared7.783.891021
5x39E2x52beta1_off5.8466701211
E2x52LigShared9.5466719.441010
5x39E2.T203beta1_off5.61501212
5x365x39beta1_off3.4900021
5x395x43Shared14.83678.2651211
5x39Ligbeta1_off4.1416701210
5x43LigShared7.723337.381010
5x445x48beta1_off3.3901022
5x446x52Shared3.34.621021
5x461LigShared3.426674.3250110
5x475x48Shared8.766676.7051122
5x476x52Shared32.1520.361121
5x486x52beta1_off3.2633301021
6x446x48beta1_off10.356700121
6x447x45beta1_off7.2500122
6x486x51Shared6.013336.0151111
6x486x52Shared5.017.521111
6x487x41Shared12.29.851112
6x48Ligbeta1_off3.9366701110
6x516x52Shared9.2912.861111
6x517x34Shared6.073338.0351112
6x517x38Shared10.471713.8951111
6x51LigShared9.718338.511110
6x52LigShared11.50335.9851110
6x557x34Shared4.236.040112
6x55LigShared7.976674.6150110
7x387x42Shared12.988313.9551111
7x38LigShared12.301716.031110
7x397x42Shared13.186.271111
7x42LigShared4.408337.621110
2x563x28beta1_off2.8601121
7x357x39beta1_off2.4500011
4x605x39Shared1.853334.8650021
4x565x461beta1_off1.6200021
7x317x35beta1_off0.24333300021
2x63Ligbeta1_on03.680010
3x28Ligbeta1_on08.921110
3x323x36beta1_on03.651111
3x406x48beta1_on09.3950021
4x615x39beta1_on06.651221
5x446x55beta1_on05.961021
5x4616x52beta1_on04.6250111
5x476x44beta1_on06.971122
5x476x48beta1_on04.511121
6x487x45beta1_on06.781112
6x516x55beta1_on06.041111
7x35Ligbeta1_on03.960010
7x39Ligbeta1_on03.7851110
3x374x56beta1_on01.5854022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
beta1_off 2VT4-β1-Cyanopindolol
2YCW-β1-S-Carazolol
2YCZ-β1-Iodocyanopindolol
5A8E-β1-7-Methylcyanopindolol-Na
3ZPQ-β1-4-(piperazin-1- yl)-1H-indole-Na
3ZPR-β1-4-methyl-2-(piperazin-1-yl)-Na
beta1_on 8DCR-β1-Dobutamine-Gs/β1/γ2
7S0F-β1-Isoprenaline-Gi1/β1/γ2
Network Difference
Value beta1_off beta1_on
Imin 3.18667 3.445
Number of Linked Nodes 291 264
Number of Specific Nodes 29 (9.97%) 2  (0.76%)
Number of Shared Nodes 262 (90.03%) 262  (99.24%)
Number of Links 328 298
Number of Specific Links 136 (41.46%) 106  (35.57%)
Number of Shared Links 192 (58.54%) 192  (64.43%)
Number of Hubs 36 37
Number of Specific Hubs 14 (38.89%) 15  (40.54%)
Number of Shared Hubs 22 (61.11%) 22  (59.46%)
Average % Shared Neighbours (Jaccard) 47.00
Average % Shared Neighbours (Otsuka) 55.65
Average % Shared Neighbours (Overlap Coefficient) 63.64
Average % Shared Cliques (k3-6) 55.00
Graphlets Similarity 0.723009
Paths Difference
Value beta1_off beta1_on
Number Of Nodes in MetaPath 78 60
Specific Nodes in MetaPath 42 (53.85%) 24  (40.00%)
Shared Nodes in MetaPath 262 (90.03%) 262  (90.03%)
Number Of Links MetaPath 83 63
Specific Links in MetaPath 62 (74.70%) 42  (66.67%)
Shared Links in MetaPath 192 (58.54%) 192  (58.54%)
Number of Shortest Paths 83961 65747
Length Of Smallest Path 3 3
Average Path Length 15.1681 13.8418
Length of Longest Path 36 30
Minimum Path Strength 0.575556 0.7175
Average Path Strength 6.20709 6.37091
Maximum Path Strength 21.9283 22.11
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.922216 0.921906
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 2.94118 4.16667
Average % Of Corr. Nodes 43.2298 46.28
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 40.2218 46.9698
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 beta1_off_on.zip<



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