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
11x39 beta2_off28.57140536
22x53 beta2_off28.571450437
33x24 beta2_off1000525
43x27 beta2_off28.57140415
53x49 beta2_off57.14290438
6E2x51 beta2_off28.571450433
7E2x52 beta2_off57.14290424
8E2.F194 beta2_off85.71430431
95x60 beta2_off00435
105x64 beta2_off85.71430525
116x31 beta2_off42.85710415
126x44 beta2_off10050539
136x59 beta2_off00435
14Lig Shared10010012130
151x60 Shared050456
162x42 Shared71.42860448
17E1x50 Shared100100767
18E1x52 Shared71.42860545
193x28 Shared57.142950455
203x51 Shared14.285750448
214x50 Shared00449
22E2.Y174 Shared85.714350545
235x39 Shared85.7143100546
245x47 Shared14.2857100458
255x50 Shared42.8571100448
265x58 Shared100100759
276x48 Shared85.7143100668
286x51 Shared85.7143100666
296x52 Shared85.7143100567
307x37 Shared00445
317x42 Shared100100766
327x53 Shared10050559
338x50 Shared100100669
342x46 beta2_on00249
352x50 beta2_on0100259
363x34 beta2_on00345
37I2x53 beta2_on28.57140347
384x57 beta2_on00347
394x58 beta2_on14.28570354
40E2.Y185 beta2_on050341
415x48 beta2_on00245
425x62 beta2_on00246
436x37 beta2_on00148
446x49 beta2_on00246
457x39 beta2_on28.571450355
467x45 beta2_on050349
477x49 beta2_on28.571450349
488x54 beta2_on00347
   
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
1E2x52 Lig beta2_off64.01863.86153YesNoYesYes40
26x48 Lig beta2_off85.02150YesYesYesYes80
31x31 1x35 beta2_off12.59376.6139NoNoNoNo35
42x53 7x42 beta2_off29.7070YesNoYesYes76
51x50 2x47 beta2_off10.4590NoNoNoNo99
61x52 8x54 beta2_off16.41845.35137NoNoNoYes67
78x50 8x54 beta2_off19.09810.457359YesYesNoYes97
87x53 8x50 beta2_off40.51090YesYesYesYes99
97x49 7x53 beta2_off34.22160NoYesYesYes99
102x46 7x49 beta2_off89.9965.99496NoYesNoYes99
113x43 6x44 beta2_off91.07590NoNoYesNo89
126x44 6x48 beta2_off1000YesNoYesYes98
131x52 8x57 beta2_off11.16390NoNoNoNo66
148x47 8x50 beta2_off16.34343.22616NoNoYesYes89
158x47 8x49 beta2_off12.27881.07904NoNoNoNo87
168x49 I1x49 beta2_off10.90390NoNoNoNo76
173x34 4x57 beta2_off30.2529.27316NoYesNoYes57
183x24 3x27 beta2_off22.18780YesNoYesNo55
193x27 4x58 beta2_off26.16240.777784YesNoNoYes54
203x30 4x58 beta2_off27.09235.09941NoNoNoYes64
213x30 4x61 beta2_off29.5874.43392NoNoNoNo65
224x61 E2.Y174 beta2_off30.85194.65849NoNoYesYes55
23E2.Y174 E2x52 beta2_off56.76430YesYesYesNo54
243x24 E1x50 beta2_off10.0040YesNoYesYes57
253x40 6x44 beta2_off12.72873.14126NoNoYesNo79
263x40 5x50 beta2_off11.35397.80249NoNoYesYes78
276x40 7x49 beta2_off55.16450NoNoNoYes89
286x40 7x52 beta2_off63.71360NoNoNoNo88
296x39 7x52 beta2_off62.78870NoNoNoNo78
306x39 7x55 beta2_off61.82881.56652NoNoNoNo77
316x35 7x55 beta2_off59.9140NoNoNoNo77
326x26 6x35 beta2_off59.13410NoNoNoNo47
335x62 6x26 beta2_off56.14940NoYesNoNo64
345x58 5x62 beta2_off55.32950YesYesNoYes96
355x58 5x61 beta2_off46.93030YesYesNoNo98
363x54 5x61 beta2_off45.83540.964014NoNoNoNo98
373x54 5x64 beta2_off44.73050NoNoYesNo95
383x55 5x64 beta2_off13.46370NoNoYesNo75
393x51 3x52 beta2_off19.06815.4527YesYesNoNo85
403x52 I2x56 beta2_off13.66860NoNoNoNo54
413x56 I2x56 beta2_off10.95390NoNoNoNo64
425x64 5x68 beta2_off13.80860YesNoNoNo57
435x68 I2x52 beta2_off12.49380NoNoNoNo75
44I2x52 I2x53 beta2_off11.11890NoNoNoYes57
45E2.A181 E2.Y185 beta2_off30.3520NoNoNoYes41
46E2.A181 E2.F194 beta2_off25.05251.65964NoNoYesNo41
47E2.C190 E2.E187 beta2_off14.36861.66511NoNoNoNo34
48E2.F194 E2x51 beta2_off12.59379.67026YesNoYesNo13
495x40 E2.T195 beta2_off10.0741.39946NoNoNoNo53
506x44 7x45 beta2_off14.09360YesNoNoYes99
516x47 7x45 beta2_off11.35391.53092NoNoNoYes99
526x51 7x37 beta2_off19.49310YesYesYesYes65
536x54 7x37 beta2_off11.54387.84083NoNoYesYes55
543x33 Lig Shared35.091512.2857NoNoYesYes50
555x43 Lig Shared12.058830.9826NoNoYesYes50
566x51 Lig Shared10.29423.517YesYesYesYes60
571x35 1x39 Shared14.023611.423NoNoYesNo56
581x39 7x39 Shared21.727814.5588YesNoNoYes65
597x39 7x42 Shared24.392646.7738NoYesYesYes56
602x53 7x46 Shared24.557515.4626YesNoNoNo79
611x50 2x50 Shared17.633237.1775NoNoNoYes99
622x50 7x46 Shared19.038116.076NoYesNoNo99
632x46 3x43 Shared90.540911.7873NoYesNoNo98
642x42 3x49 Shared13.543618.3683YesYesYesNo88
652x42 4x46 Shared20.09319.283YesYesNoNo88
662x45 4x46 Shared21.397919.7924NoNoNoNo98
672x45 4x50 Shared23.977616.3417NoNoYesYes99
683x34 4x50 Shared27.772215.3092NoYesYesYes59
693x33 4x57 Shared33.896611.2395NoNoNoYes57
703x51 3x55 Shared12.163818.9955YesYesNoNo87
715x60 5x64 Shared17.498310.8862YesNoYesNo55
723x51 5x60 Shared12.298816.2979YesYesYesNo85
735x39 5x43 Shared11.428929.8187YesYesNoNo65
744x60 5x39 Shared10.03910.2153NoNoYesYes56
75E2.Y174 E2.Y185 Shared31.151910.0153YesYesNoYes51
765x47 6x52 Shared12.773720.2826YesYesYesYes87
777x42 Lig Shared52.504744.7856YesYesYesYes60
783x36 Lig beta2_on0.86991336.8954NoNoYesYes60
792x53 3x36 beta2_on014.9039YesNoNoNo76
801x50 7x50 beta2_on6.034436.2984NoNoNoNo99
811x53 7x50 beta2_on035.4138NoNoNoNo99
821x53 7x54 beta2_on031.8207NoNoNoNo97
837x54 8x50 beta2_on023.9114NoNoYesYes79
848x50 I1x50 beta2_on1.4498614.567YesYesNoNo98
851x60 I1x50 beta2_on013.5564YesYesNoNo68
863x49 I2x53 beta2_on016.5608YesNoNoYes87
87I2x53 I2x57 beta2_on011.8859NoYesNoNo77
886x48 6x51 beta2_on8.7041333.861YesYesYesYes86
896x48 7x45 beta2_on092.9917YesYesNoYes89
907x45 7x49 beta2_on090.8117NoYesNoYes99
913x43 7x49 beta2_on089.2233NoNoNoYes89
923x43 7x53 beta2_on0100NoNoYesYes89
933x50 7x53 beta2_on048.669NoNoYesYes99
943x46 3x50 beta2_on010.7794NoNoNoNo99
953x36 6x48 beta2_on0.6999324.3112NoNoYesYes68
966x52 Lig beta2_on8.2441835.2906YesYesYesYes70
976x48 6x52 beta2_on6.4293638.2319YesYesYesYes87
982x46 3x42 beta2_on011.497NoYesNoNo98
992x46 2x50 beta2_on016.3362NoYesNoYes99
1003x28 Lig beta2_on021.4055YesYesYesYes50
1013x28 E1x50 beta2_on0.14498510.8178YesYesYesYes57
1025x39 E2.Y174 beta2_on4.5945420.6222YesYesYesYes65
1033x26 E2.Y174 beta2_on011.475NoNoYesYes55
1043x40 6x48 beta2_on011.4066NoNoYesYes78
1053x50 5x58 beta2_on048.8498NoNoYesYes99
1066x40 7x53 beta2_on9.4140644.2323NoNoYesYes89
1075x58 6x40 beta2_on043.0191YesYesNoNo98
1085x57 5x58 beta2_on045.6702NoNoYesYes69
1093x51 5x57 beta2_on2.7497343.0273YesYesNoNo86
1103x55 3x56 beta2_on016.2979NoNoNoNo76
1113x56 I2x52 beta2_on010.8862NoNoNoNo65
1122x64 7x39 beta2_on1.2748722.4626NoNoNoYes55
1132x64 7x35 beta2_on020.9646NoNoNoNo53
1147x31 7x35 beta2_on1.4648519.3707NoNoNoNo23
1157x31 E2x51 beta2_on2.7347317.7631NoNoYesNo23
1165x47 6x49 beta2_on4.3445718.0534YesYesNoYes86
1175x58 6x37 beta2_on1.4098642.4577YesYesNoYes98
1185x62 6x37 beta2_on015.7255NoYesNoYes68
1196x36 6x37 beta2_on021.6794NoNoNoYes88
1206x32 6x36 beta2_on018.9872NoNoNoNo78
1216x29 6x32 beta2_on010.878NoNoNoNo67
1226x49 6x50 beta2_on014.4164NoYesNoNo69
1236x50 7x37 beta2_on1.6748313.4935NoNoYesYes95
1242x50 7x49 beta2_on016.3937NoYesNoYes99

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
3x32LigShared18.547117.151110
3x33LigShared10.97438.4850010
3x36LigShared6.182866.9251010
E2x52LigShared8.5214310.8450010
5x43LigShared6.211434.9150010
5x461LigShared3.897144.520010
6x48Ligbeta2_off3.7342901110
6x51LigShared8.564297.6551110
6x52LigShared12.10575.661110
6x55LigShared8.565715.9450110
7x38LigShared14.667113.221110
7x42LigShared5.623.4551110
2x532x56beta2_off6.5228601022
2x537x42beta2_off3.9328601021
2x563x32Shared6.674298.031121
2x567x42Shared4.334.421121
2x577x42Shared3.788575.680121
2x593x24beta2_off17.1802122
2x593x28Shared5.727146.0152121
2x63E1x50beta2_off7.2542900012
3x24E1x50beta2_off4.5514302022
3x28E1x50Shared11.112911.7152112
3x243x28beta2_off5.6242902021
3x29E2x52beta2_off5.5600021
3x327x42Shared9.369.771111
3x334x57Shared5.537143.230012
3x366x48Shared7.355718.5851011
3x375x461Shared7.764299.590021
3x406x44Shared6.286.9050022
E2.Y174E2x52beta2_off3.9785708021
5x39E2.Y174Shared6.525715.460022
E2.T195E2x52Shared7.785.1850021
5x39E2.T195Shared5.528574.9950022
5x395x43Shared13.262914.6250021
5x446x52Shared3.966.6050021
5x475x48Shared8.251436.7050122
5x476x52Shared31.844319.8250121
6x446x48beta2_off12.027100021
6x447x45beta2_off6.5585700022
6x486x51Shared4.437143.511111
6x486x52Shared5.155714.511111
6x487x41Shared12.6711.9651112
6x516x52Shared6.124296.971111
6x517x34Shared10.90434.1251112
6x517x38Shared12.425715.1051111
6x557x34Shared5.647146.9750112
7x387x42Shared12.79439.3051111
7x397x42Shared14.46718.21121
2x603x28Shared2.611432.110021
6x517x37beta2_off2.0914301112
2x533x36beta2_on03.81021
2x577x39beta2_on04.290122
3x28Ligbeta2_on04.2552110
3x406x48beta2_on05.2850021
5x476x44beta2_on06.9650122
5x486x52beta2_on03.610121
6x487x45beta2_on07.3451112
6x516x55beta2_on06.041111
2x59E1x50beta2_on03.512122
3x283x29beta2_on03.0352112
2x63Ligbeta2_on02.950010

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
beta2_off 2RH1-β2-S-Carazolol
6PS3-β2-S-Carvedilol
6PS5-β2-S-Propranolol
3D4S-β2-Timolol
3NY8-β2-ICI118-551
3NY9-β2-ICI118-551
6PRZ-β2-S-Alprenolol
beta2_on 7DHI-β2-Salbutamol-Gs/β1/γ2
6NI3-β2-BI167107-Gs/β1/γ2
Network Difference
Value beta2_off beta2_on
Imin 3.72571 3.07
Number of Linked Nodes 273 277
Number of Specific Nodes 12 (4.40%) 16  (5.78%)
Number of Shared Nodes 261 (95.60%) 261  (94.22%)
Number of Links 302 305
Number of Specific Links 116 (38.41%) 119  (39.02%)
Number of Shared Links 186 (61.59%) 186  (60.98%)
Number of Hubs 33 35
Number of Specific Hubs 13 (39.39%) 15  (42.86%)
Number of Shared Hubs 20 (60.61%) 20  (57.14%)
Average % Shared Neighbours (Jaccard) 47.80
Average % Shared Neighbours (Otsuka) 56.34
Average % Shared Neighbours (Overlap Coefficient) 64.72
Average % Shared Cliques (k3-6) 55.00
Graphlets Similarity 0.659533
Paths Difference
Value beta2_off beta2_on
Number Of Nodes in MetaPath 80 68
Specific Nodes in MetaPath 34 (42.50%) 22  (32.35%)
Shared Nodes in MetaPath 261 (95.60%) 261  (95.60%)
Number Of Links MetaPath 77 71
Specific Links in MetaPath 53 (68.83%) 47  (66.20%)
Shared Links in MetaPath 186 (61.59%) 186  (61.59%)
Number of Shortest Paths 42216 72132
Length Of Smallest Path 3 3
Average Path Length 15.0443 13.8795
Length of Longest Path 35 29
Minimum Path Strength 0.729286 0.77
Average Path Strength 6.41064 5.36723
Maximum Path Strength 26.2843 15.185
Minimum Path Correlation 0.704286 0.7
Average Path Correlation 0.923459 0.931011
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.33333 4.16667
Average % Of Corr. Nodes 44.5059 48.3415
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 36.996 47.1163
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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