Orange: nodes, hubs and links specific of beta2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of beta2_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 beta2_off Avg Int. Strength beta2_on Avg Int. Strength beta2_off Num Of Links beta2_on Num Of Links ConSurf
11x31 beta2_off00433
22x53 beta2_off42.857125427
33x24 beta2_off1000525
43x27 beta2_off42.85710425
53x49 beta2_off85.714325438
6E2.R175 beta2_off71.42860432
7E2x52 beta2_off71.428625434
8E2.F194 beta2_off71.42860531
96x31 beta2_off57.14290425
106x47 beta2_off00419
116x59 beta2_off00435
12E3.I303 beta2_off025433
137x55 beta2_off00427
141x39 Shared025446
151x60 Shared075556
162x42 Shared85.714350458
17E1x50 Shared100100767
18E1x52 Shared85.714325545
193x28 Shared71.428625455
204x50 Shared14.285750449
21E2.Y174 Shared10075645
22E2.H178 Shared00442
235x39 Shared100100566
245x47 Shared14.2857100468
255x50 Shared28.571425448
265x58 Shared100100769
275x60 Shared00445
285x64 Shared85.714325445
296x44 Shared10075549
306x48 Shared85.7143100668
316x51 Shared85.714375676
326x52 Shared85.7143100557
337x42 Shared100100766
347x53 Shared10075569
358x50 Shared100100669
368x54 Shared025447
37Lig Shared10010012120
381x48 beta2_on00244
391x50 beta2_on00349
40I1x49 beta2_on00346
41I1x50 beta2_on025248
422x40 beta2_on42.85710349
432x46 beta2_on025159
442x50 beta2_on050259
453x22 beta2_on00142
463x50 beta2_on57.142925349
473x51 beta2_on075348
48I2x53 beta2_on28.571425357
494x46 beta2_on00248
505x62 beta2_on025246
515x73 beta2_on00040
525x76 beta2_on00040
536x40 beta2_on00358
546x49 beta2_on050246
557x37 beta2_on00345
567x39 beta2_on42.857125345
   
Orange: nodes, hubs and links specific of beta2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of beta2_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 beta2_off Recurrence beta2_on Recurrence beta2_off Hub1? beta2_on Hub1? beta2_off Hub2? beta2_on Hub2? ConSurf1 ConSurf2
12x53 7x42 beta2_off99.68020YesNoYesYes76
21x50 7x50 beta2_off90.87025.73786NoYesNoNo99
31x53 7x50 beta2_off88.00230NoNoNoNo99
41x53 7x53 beta2_off87.19240NoNoYesYes99
57x53 8x50 beta2_off37.21570YesYesYesYes99
68x50 8x54 beta2_off10.42970.888077YesYesYesYes97
71x60 I1x50 beta2_off10.17690YesYesNoYes68
88x47 8x50 beta2_off10.5385.73786NoNoYesYes89
93x49 I2x57 beta2_off11.33230YesNoNoNo87
104x41 I2x57 beta2_off10.05830NoNoNoNo57
116x48 Lig beta2_off30.70610YesYesYesYes80
126x44 6x48 beta2_off32.42890YesYesYesYes98
13E2.Y174 E2x52 beta2_off59.84420YesYesYesNo54
144x61 E2.Y174 beta2_off32.05243.5901NoNoYesYes55
153x30 4x61 beta2_off30.80937.1739NoNoNoNo65
163x30 4x58 beta2_off28.42117.92971NoNoNoNo64
173x27 4x58 beta2_off27.13165.48592YesNoNoNo54
183x24 3x27 beta2_off21.94774.69862YesNoYesNo55
193x40 6x44 beta2_off12.8548.08087NoNoYesYes79
206x40 7x52 beta2_off59.29750NoYesNoNo88
216x39 7x52 beta2_off58.22460NoNoNoNo78
226x39 7x55 beta2_off57.11045.90162NoNoYesNo77
236x35 7x55 beta2_off53.9640NoNoYesNo77
246x26 6x35 beta2_off53.03550NoNoNoNo47
255x62 6x26 beta2_off49.56930NoYesNoNo64
265x58 5x62 beta2_off48.59440YesYesNoYes96
275x58 5x61 beta2_off37.63860YesYesNoNo98
283x54 5x61 beta2_off36.36972.58235NoNoNoNo98
293x54 5x64 beta2_off35.09055.15841NoNoYesYes95
305x64 5x68 beta2_off14.66450YesYesNoNo57
315x68 I2x52 beta2_off13.22020NoNoNoNo75
32I2x52 I2x53 beta2_off11.76560NoNoNoYes57
33E2.Y174 E2.Y185 beta2_off31.88224.45928YesYesNoNo51
34E2.A181 E2.Y185 beta2_off31.15490NoNoNoNo41
35E2.A181 E2.F194 beta2_off25.8062.20445NoNoYesNo41
36E2.F194 E2x51 beta2_off13.72054.3837YesNoNoNo13
37E2.C190 E2.E187 beta2_off14.02490NoNoNoNo34
385x47 5x48 beta2_off11.50776.82119YesYesNoNo85
396x44 7x45 beta2_off15.59810YesYesNoNo99
406x47 7x45 beta2_off12.8542.85318YesNoNoNo99
411x35 2x65 beta2_off11.78620NoNoNoNo56
421x35 1x39 Shared20.03420.9674NoNoYesYes56
431x39 7x39 Shared22.386127.5619YesYesNoYes65
447x39 7x42 Shared26.502344.8951NoYesYesYes56
452x53 7x46 Shared99.050914.2596YesNoNoNo79
462x50 7x46 Shared96.719522.668NoYesNoNo99
471x50 2x50 Shared96.1108100NoYesNoYes99
481x50 2x47 Shared10.53882.8494NoYesNoNo99
498x50 I1x50 Shared11.641827.8957YesYesNoYes98
507x42 Lig Shared10053.8074YesYesYesYes60
513x33 Lig Shared41.254418.3536NoNoYesYes50
523x33 4x57 Shared40.104216.6089NoNoNoNo57
533x34 4x57 Shared36.591516.6971NoNoNoNo57
543x34 4x50 Shared34.198227.1966NoNoYesYes59
552x45 4x50 Shared30.530831.9582NoNoYesYes99
562x45 4x46 Shared28.034250.4251NoNoNoYes98
572x42 4x46 Shared26.770531.0323YesYesNoYes88
582x42 3x49 Shared20.462213.4912YesYesYesNo88
59E2x52 Lig Shared62.036411.1293YesNoYesYes40
603x40 5x50 Shared11.466417.2262NoNoYesYes78
616x40 7x53 Shared60.076339.7493NoYesYesYes89
625x60 5x64 Shared19.172620.3943YesYesYesYes55
633x51 5x60 Shared13.457525.3133NoYesYesYes85
643x51 3x52 Shared10.53820.4006NoYesNoNo85
655x43 Lig Shared12.312464.5903NoNoYesYes50
665x39 5x43 Shared11.621263.1857YesYesNoNo65
674x60 5x39 Shared10.140815.28NoNoYesYes56
686x52 Lig Shared18.976683.832YesYesYesYes70
695x47 6x52 Shared19.709156.2323YesYesYesYes87
706x51 Lig Shared15.190615.6768YesYesYesYes60
716x51 7x37 Shared22.57730.0183YesYesNoYes65
726x54 7x37 Shared18.56422.0445NoNoNoYes55
736x54 E3.I303 Shared16.54219.6448NoNoYesNo53
741x31 1x35 beta2_on7.2264911.7717YesNoNoNo35
753x36 Lig beta2_on1.3307937.1355NoNoYesYes60
763x36 6x48 beta2_on0.27853737.6394NoNoYesYes68
776x48 7x45 beta2_on075.8456YesYesNoNo89
787x45 7x49 beta2_on074.9008NoNoNoNo99
792x50 7x49 beta2_on068.8732NoYesNoNo99
806x48 6x52 beta2_on2.2231445.103YesYesYesYes87
811x53 2x47 beta2_on075.3102NoNoNoNo99
821x53 7x54 beta2_on072.7719NoNoNoNo97
837x54 8x54 beta2_on1.5319521.2446NoNoYesYes77
841x52 8x54 beta2_on6.0143416.5459NoNoYesYes67
857x54 8x50 beta2_on048.9702NoNoYesYes79
86I1x49 I1x50 beta2_on025.4456NoYesNoYes68
871x60 I1x49 beta2_on017.075YesYesNoYes66
882x41 4x46 beta2_on020.3439NoNoNoYes48
892x45 3x42 beta2_on1.464949.6441NoNoNoNo98
902x46 3x42 beta2_on051.2061NoYesNoNo98
915x47 6x44 beta2_on066.2909YesYesYesYes89
923x43 6x44 beta2_on2.9246425.4015NoNoYesYes89
932x46 3x43 beta2_on1.464914.3604NoYesNoNo98
943x43 7x53 beta2_on011.249NoNoYesYes89
952x53 3x35 beta2_on3.0587511.4316YesNoNoNo77
963x28 Lig beta2_on029.7096YesYesYesYes50
973x28 E1x50 beta2_on0.14958516.2247YesYesYesYes57
985x39 E2.Y174 beta2_on3.3785528.3303YesYesYesYes65
993x26 E2.Y174 beta2_on2.646125.2189NoNoYesYes55
1003x22 3x26 beta2_on023.2223NoYesNoNo25
1013x22 E2.E188 beta2_on1.4803716.3444NoYesNoNo23
1023x34 4x58 beta2_on013.2267NoNoNoNo54
1033x40 6x48 beta2_on014.4738NoNoYesYes78
1043x50 7x53 beta2_on031.4732NoYesYesYes99
1055x54 6x44 beta2_on052.1446NoNoYesYes89
1065x54 6x41 beta2_on3.0587550.8534NoNoNoNo88
1075x58 6x41 beta2_on4.5339750.3055YesYesNoNo98
1085x57 5x58 beta2_on051.8423NoNoYesYes69
1093x51 5x57 beta2_on049.4993NoYesNoNo86
1103x52 3x56 beta2_on015.3744NoNoNoNo56
1113x56 I2x52 beta2_on010.2979NoNoNoNo65
1122x41 4x39 beta2_on1.464911.4253NoNoNoNo41
1135x36 5x39 beta2_on2.9452733.6902NoNoYesYes46
1145x36 E2.R175 beta2_on029.6215NoNoYesNo42
115E2.I182 E2.R175 beta2_on025.5023NoNoYesNo12
116E2.H178 E2.I182 beta2_on023.4049YesYesNoNo21
117E2.E180 E2.H178 beta2_on1.3720510.8144NoNoYesYes32
118E2.E188 E2.T189 beta2_on011.6962NoNoNoNo34
119E2.T195 E2x52 beta2_on1.3875310.0082NoNoYesNo34
1205x47 6x49 beta2_on2.9349620.4636YesYesNoYes86
1215x58 6x37 beta2_on1.4906955.8166YesYesNoNo98
1225x62 6x37 beta2_on053.461NoYesNoNo68
1235x62 6x34 beta2_on010.279NoYesNoNo67
1245x64 5x67 beta2_on1.5319510.2979YesYesNoNo54
1255x62 5x66 beta2_on037.0347NoYesNoNo66
1265x66 6x30 beta2_on034.5972NoNoNoNo67
1275x69 6x30 beta2_on029.886NoNoNoNo57
1285x69 6x29 beta2_on027.543NoNoNoNo56
1297x33 7x37 beta2_on012.3701NoNoNoYes45
1301x48 1x52 beta2_on013.7306NoYesNoNo46
1315x73 6x29 beta2_on022.5861NoYesNoNo06
1325x72 5x73 beta2_on015.217NoNoNoYes00
1335x72 5x76 beta2_on012.685NoNoNoYes00
1341x50 2x51 beta2_on011.4316NoYesNoNo97
1354x46 4x47 beta2_on011.8284NoYesNoNo83
1364x47 4x51 beta2_on1.4752210.5813NoNoNoNo34
1372x46 2x50 beta2_on054.5506NoYesNoYes99
1382x46 7x53 beta2_on064.4706NoYesYesYes99
1393x50 5x58 beta2_on030.5851NoYesYesYes99
1405x58 6x40 beta2_on031.8007YesYesNoYes98
1416x51 6x52 beta2_on1.1502617.075YesYesYesYes67

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
2x532x56beta2_off5.6528601022
2x537x42beta2_off4.2757101021
2x563x32Shared6.8828610.22251221
2x567x42Shared3.974.7351221
2x577x42Shared3.968574.10250021
2x593x24beta2_off18.038603022
2x593x28Shared5.868577.26753021
3x24E1x50beta2_off4.6857103022
3x28E1x50Shared11.24719.843012
3x243x28beta2_off4.9557103021
3x29E2x52beta2_off5.7457100021
3x327x42Shared9.3585710.63251211
3x32LigShared18.6214.7751210
3x334x57Shared5.998574.84750012
3x33LigShared10.76435.96250010
3x366x48Shared7.705717.66251011
3x36LigShared6.175716.6951010
3x375x461Shared8.905717.1950021
3x406x44Shared6.285.650022
E2.Y174E2x52beta2_off3.9802421
5x39E2.Y174Shared6.667146.95250422
E2.T195E2x52Shared7.786.810021
E2x52LigShared9.2214314.9450010
5x39E2.T195Shared5.707145.930422
5x395x43Shared14.35299.53750421
5x43LigShared5.265717.440010
5x446x52Shared3.771433.96250021
5x461LigShared3.731435.820010
5x476x52Shared33.068615.540221
6x446x48beta2_off11.882900021
6x447x45beta2_off7.2500022
6x486x51beta2_off5.1514301211
6x486x52Shared5.36.01251211
6x487x41Shared12.6711.261212
6x48Ligbeta2_off3.8214301210
6x516x52Shared6.124296.43251211
6x517x34Shared11.64146.191212
6x517x38Shared11.562916.311211
6x51LigShared8.387143.83251210
6x52LigShared12.29437.71251210
6x557x34Shared5.812868.720212
6x55LigShared9.058574.0350210
7x387x42Shared13.29146.10751211
7x38LigShared14.271410.441210
7x397x42Shared14.74296.51251021
7x42LigShared5.234293.9851210
2x603x28Shared3.617141.760021
6x517x37Shared2.091436.69751212
3x28Ligbeta2_on03.90253010
3x406x48beta2_on06.75250021
7x34E2x52beta2_on04.1250221
5x476x44beta2_on06.16250222
5x476x48beta2_on03.260221
6x487x45beta2_on07.62751212
6x516x55beta2_on04.22751211
6x517x40beta2_on03.76751212
3x283x29beta2_on02.733012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
beta2_off 6PS2-β2-(S)-Alprenolol
6PS3-β2-(S)-Carvedilol
6PS5-β2-(S)-Propranolol
6PS6-β2-Timolol
2RH1-β2-(S)-Carazolol
6PS4-β2-ICI 118-551
3NY9-β2-PubChem 913103
beta2_on 3SN6-β2-BI167107-Gs/&β;1/&γ;2
7DHR-β2-Isoprenaline-Gs/&β;1/&γ;2
7BZ2-β2-Arformoterol-Gs/&β;1/&γ;2
7DHI-β2-Salbutamol-Gs/&β;1/&γ;2
Network Difference
Value beta2_off beta2_on
Imin 3.71286 3.1
Number of Linked Nodes 275 286
Number of Specific Nodes 6 (2.18%) 17  (5.94%)
Number of Shared Nodes 269 (97.82%) 269  (94.06%)
Number of Links 302 322
Number of Specific Links 120 (39.74%) 140  (43.48%)
Number of Shared Links 182 (60.26%) 182  (56.52%)
Number of Hubs 37 43
Number of Specific Hubs 13 (35.14%) 19  (44.19%)
Number of Shared Hubs 24 (64.86%) 24  (55.81%)
Average % Shared Neighbours (Jaccard) 45.29
Average % Shared Neighbours (Otsuka) 53.59
Average % Shared Neighbours (Overlap Coefficient) 61.96
Average % Shared Cliques (k3-6) 53.66
Graphlets Similarity 0.693382
Paths Difference
Value beta2_off beta2_on
Number Of Nodes in MetaPath 75 94
Specific Nodes in MetaPath 26 (34.67%) 45  (47.87%)
Shared Nodes in MetaPath 269 (97.82%) 269  (97.82%)
Number Of Links MetaPath 73 100
Specific Links in MetaPath 41 (56.16%) 68  (68.00%)
Shared Links in MetaPath 182 (60.26%) 182  (60.26%)
Number of Shortest Paths 41422 57191
Length Of Smallest Path 3 3
Average Path Length 15.5598 12.3828
Length of Longest Path 42 28
Minimum Path Strength 0.636429 0.601667
Average Path Strength 6.60888 5.20402
Maximum Path Strength 28.08 15.5712
Minimum Path Correlation 0.701429 0.7
Average Path Correlation 0.922852 0.9327
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 2.7027 4.16667
Average % Of Corr. Nodes 44.1547 55.0101
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 38.7123 46.1811
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 beta2_off_on.zip<



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