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
11x60 beta1_off00426
2I1x50 beta1_off00538
32x56 beta1_off500427
42x57 beta1_off500437
53x26 beta1_off500426
63x41 beta1_off1000436
73x50 beta1_off1000639
84x50 beta1_off00439
94x61 beta1_off500436
10E2.R183 beta1_off1000434
11E2.Y193 beta1_off00533
125x48 beta1_off500425
136x41 beta1_off00538
146x59 beta1_off00425
157x33 beta1_off500434
167x50 beta1_off1000439
177x55 beta1_off00437
182x42 Shared10050648
19E1x50 Shared100100767
20E1x52 Shared1000545
213x28 Shared5050446
223x37 Shared1000446
233x49 Shared50100449
24I2x53 Shared1000547
25E2.W182 Shared100100745
26E2x52 Shared1000644
275x39 Shared100100757
286x44 Shared100100549
296x48 Shared100100668
306x51 Shared100100567
316x52 Shared100100557
327x34 Shared050444
337x39 Shared500546
347x42 Shared100100547
357x49 Shared100100459
367x53 Shared10050549
378x50 Shared100100568
38Lig Shared10010013140
391x46 beta1_on00347
401x57 beta1_on00347
412x40 beta1_on0100359
422x46 beta1_on050249
432x50 beta1_on0100359
442x59 beta1_on00344
453x32 beta1_on050347
463x51 beta1_on050348
474x58 beta1_on0100255
485x47 beta1_on0100357
495x58 beta1_on0100169
505x60 beta1_on050345
516x55 beta1_on050246
52E3.V320 beta1_on5050345
   
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
17x39 7x42 beta1_off10.91470YesYesYesYes67
22x56 7x42 beta1_off66.37110.590201YesNoYesYes77
32x53 2x56 beta1_off97.78240NoNoYesNo87
42x53 7x46 beta1_off91.93890NoNoNoNo89
57x53 8x50 beta1_off41.82830YesYesYesYes98
62x40 8x50 beta1_off11.12484.31208NoYesYesYes98
78x50 I1x50 beta1_off12.64939.12102YesYesYesNo88
87x42 Lig beta1_off69.20261.83986YesYesYesYes70
93x37 3x41 beta1_off36.44376.89271YesYesYesNo66
103x41 4x49 beta1_off34.40311.38818YesNoNoNo66
113x42 4x49 beta1_off33.93120NoNoNoNo86
123x49 I2x53 beta1_off12.37284.76377YesYesYesYes97
136x48 Lig beta1_off45.14640YesYesYesYes80
146x44 6x48 beta1_off47.97780YesYesYesYes98
153x43 6x44 beta1_off37.29350NoNoYesYes89
162x46 3x43 beta1_off36.79953.0022NoYesNoNo98
173x37 4x53 beta1_off36.41611.38818YesYesNoNo68
183x38 4x53 beta1_off35.90180NoNoNoNo78
193x38 4x50 beta1_off35.38381.68328NoNoYesNo79
202x45 4x50 beta1_off33.4745.03779NoNoYesNo99
212x42 3x46 beta1_off70.87080YesYesNoNo89
222x56 3x28 beta1_off35.77460YesNoYesYes76
232x59 E1x52 beta1_off12.60518.07311NoYesYesYes45
24E1x50 E1x52 beta1_off12.67338.10925YesYesYesYes75
25E2.W182 E2x52 beta1_off15.33330YesYesYesYes54
26E2.W182 E2.Y193 beta1_off24.22210YesYesYesNo53
27E2.V202 E2.Y193 beta1_off16.36370NoNoYesNo43
28E2.V202 E2x51 beta1_off14.49270NoNoNoNo45
29E2.C198 E2x51 beta1_off10.51472.7613NoNoNoNo55
305x39 Lig beta1_off26.68850YesYesYesYes70
313x40 6x44 beta1_off11.22445.38408NoNoYesYes89
323x46 6x41 beta1_off65.87520NoNoYesNo98
333x47 6x41 beta1_off55.46010NoNoYesNo88
343x47 5x57 beta1_off53.71630NoNoNoNo86
355x56 5x57 beta1_off48.70230NoNoNoNo56
365x56 5x60 beta1_off46.94180NoNoNoYes55
373x51 5x60 beta1_off43.40998.96143NoYesNoYes85
383x51 3x55 beta1_off39.86324.98058NoYesNoNo87
393x54 3x55 beta1_off23.95850NoNoNoNo97
403x54 5x68 beta1_off11.67780NoNoNoNo97
413x55 3x56 beta1_off14.51114.10431NoNoNoNo76
423x56 I2x52 beta1_off12.6772.06269NoNoNoNo65
43I2x51 I2x52 beta1_off10.83910NoNoNoNo65
443x54 5x64 beta1_off10.57552.05366NoNoNoNo96
456x40 7x49 beta1_off12.85020NoNoYesYes89
466x40 7x52 beta1_off12.07420NoNoNoNo88
476x39 7x52 beta1_off10.67327.54012NoNoNoNo78
482x56 3x32 beta1_off60.95161.02984YesNoNoYes77
493x32 Lig beta1_off61.35891.05393NoYesYesYes70
502x50 7x46 Shared86.003215.1736NoYesNoNo99
511x50 2x50 Shared16.264252.7508NoNoNoYes99
521x50 7x50 Shared10.024346.0508NoNoYesNo99
532x50 7x49 Shared69.3565.1179NoYesYesYes99
547x49 7x53 Shared46.698525.0775YesYesYesYes99
555x461 Lig Shared69.06813.5746NoNoYesYes60
563x37 5x461 Shared67.873512.3009YesYesNoNo66
572x45 3x42 Shared68.690128.5585NoNoNoNo98
582x45 4x46 Shared10022.1868NoNoNoNo97
592x42 4x46 Shared98.353920.5788YesYesNoNo87
602x42 3x49 Shared22.657114.0504YesYesYesYes89
612x46 3x42 Shared36.312930.1364NoYesNoNo98
622x59 3x28 Shared13.989510.717NoYesYesYes46
633x28 E1x50 Shared19.333413.2283YesYesYesYes67
64E1x51 E1x52 Shared11.272310.8133NoNoYesYes45
65E2x52 Lig Shared19.630224.659YesYesYesYes40
665x39 E2.W182 Shared15.663217.9319YesYesYesYes75
676x51 7x34 Shared12.37115.553YesYesYesYes74
686x54 7x34 Shared16.787712.876NoNoYesYes44
696x54 E3.V320 Shared15.279810.9609NoNoNoYes45
707x39 Lig beta1_on010.2954YesYesYesYes60
713x36 Lig beta1_on0.62306429.9136NoNoYesYes60
723x36 6x48 beta1_on0.19908631.38NoNoYesYes68
736x48 7x45 beta1_on0100YesYesNoNo89
747x45 7x49 beta1_on098.3378NoNoYesYes99
751x46 7x46 beta1_on5.7421513.683NoYesNoNo79
766x51 Lig beta1_on7.7588133.7409YesYesYesYes70
776x48 6x51 beta1_on2.4314346.3519YesYesYesYes87
786x52 Lig beta1_on3.9466945.2498YesYesYesYes70
796x48 6x52 beta1_on1.1465932.4009YesYesYesYes87
801x53 7x50 beta1_on8.5311941.9585NoNoYesNo99
811x53 7x54 beta1_on036.4088NoNoNoNo96
827x54 8x50 beta1_on035.0086NoNoYesYes68
832x46 7x49 beta1_on025.8996NoYesYesYes99
845x43 Lig beta1_on0.8166247.728NoNoYesYes60
855x39 5x43 beta1_on0.071892146.7584YesYesNoNo76
864x61 5x39 beta1_on013.2645YesNoYesYes67
873x30 4x61 beta1_on4.0978513.0989NoNoYesNo66
883x30 4x58 beta1_on1.4101911.9185NoNoNoYes65
893x28 Lig beta1_on026.1766YesYesYesYes60
90E2.T203 E2x52 beta1_on0.75947530.2689NoNoYesYes44
91E2.T203 E2.W182 beta1_on0.042397923.5478NoNoYesYes45
92E2.R183 E2.W182 beta1_on4.1476237.6223YesNoYesYes45
934x64 E2.R183 beta1_on2.0959310.6266NoNoYesNo54
943x40 6x48 beta1_on015.1646NoNoYesYes88
955x47 6x52 beta1_on2.2710520.3921NoYesYesYes77
965x47 6x44 beta1_on015.9535NoYesYesYes79
973x40 5x50 beta1_on7.5744710.6417NoNoNoNo89
985x54 6x44 beta1_on020.0187NoNoYesYes89
995x54 6x41 beta1_on5.5670319.6814NoNoYesNo88
1005x58 6x41 beta1_on1.8562919.3773NoYesYesNo98
1015x57 5x58 beta1_on016.7876NoNoNoYes69
1023x51 5x57 beta1_on015.8481NoYesNoNo86
103E2.R183 E2.Y193 beta1_on0.094012724.5777YesNoYesNo43
1045x36 5x39 beta1_on5.782710.6688NoNoYesYes57
105E2.C192 E2.Y193 beta1_on019.2207NoNoYesNo43
106E2.C192 E2.C198 beta1_on0.0073735416.4925NoNoNoNo45
107E2.C198 E2.D195 beta1_on8.4261211.0181NoNoNoNo53
1085x58 6x37 beta1_on011.6896NoYesNoNo98
1095x62 6x37 beta1_on010.8284NoNoNoNo68
1107x52 7x53 beta1_on012.2467NoNoYesYes89
1113x50 7x53 beta1_on016.3751YesNoYesYes99
1123x50 5x58 beta1_on014.1558YesNoNoYes99

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
1x397x39Shared3.4921.520021
2x563x32Shared6.578.761121
2x567x42Shared5.684.421121
2x577x39Shared3.6752.453021
2x59E1x50Shared5.514.011122
2x593x28Shared5.5157.5151121
2x603x28Shared4.9253.5150021
2x63E1x50beta1_off6.8300012
2x647x39Shared3.684.90021
3x28E1x50Shared12.18510.311112
3x29E2x52Shared6.4853.240021
3x327x42Shared10.3413.2151111
3x32LigShared18.8916.5951110
3x334x57beta1_off5.65500012
3x334x61beta1_off3.8400012
3x33LigShared8.6713.10010
3x366x48Shared11.659.811111
3x36LigShared3.6556.111110
3x374x57beta1_off6.39507022
3x375x461Shared7.9959.597021
3x406x44Shared8.1655.020022
4x61E2.W182Shared4.711.161622
4x61E2x52beta1_off4.39501621
E2.W182E2x52beta1_off10.0201621
E2.T203E2.W182Shared5.463.641022
5x39E2.W182Shared5.796.271612
E2.T203E2x52Shared7.784.541021
5x39E2x52beta1_off5.1601611
E2x52LigShared8.8721.421010
5x39E2.T203beta1_off5.61501612
5x365x39Shared3.492.910021
5x395x43Shared15.268.91611
5x39Ligbeta1_off4.0901610
5x43LigShared7.877.381010
5x445x48beta1_off3.81500022
5x461LigShared3.6454.9350010
5x475x48Shared8.257.221122
5x476x52Shared32.1519.8251121
5x486x52beta1_off4.12501021
6x446x48beta1_off9.5200121
6x447x45beta1_off6.64500122
6x486x51Shared6.5155.5151111
6x486x52Shared5.518.521111
6x487x41Shared12.6711.261112
6x48Ligbeta1_off3.5901110
6x516x52Shared8.57511.2551111
6x517x34Shared4.8259.111112
6x517x38Shared11.4817.521111
6x51LigShared9.817.5151110
6x52LigShared11.8854.9951110
6x557x34Shared4.237.8550112
6x55Ligbeta1_off7.62500110
7x387x42Shared11.6312.7951111
7x38LigShared14.85516.031110
7x397x42beta1_off12.05500011
7x42LigShared3.6657.1451110
2x563x28beta1_off3.06501121
7x357x39beta1_off2.4500011
4x605x39Shared2.0854.170021
4x565x461beta1_off1.6200021
3x28Ligbeta1_on07.9951110
3x323x36beta1_on03.651111
3x406x48beta1_on08.220021
4x615x39beta1_on06.651621
6x55E2x52beta1_on03.6250111
5x446x52beta1_on04.620021
5x446x55beta1_on03.7250021
5x476x44beta1_on05.361122
6x487x45beta1_on07.911112
2x63Ligbeta1_on03.680010
6x516x55beta1_on03.6251111
7x35Ligbeta1_on03.960010
7x39Ligbeta1_on03.7850010
3x374x56beta1_on03.177022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
beta1_off 2VT4-β1-Cyanopindolol
2YCZ-β1-Iodocyanopindolol
beta1_on 7JJO-β1-Isoprenaline-Gs/&β;1/&γ;2
8DCR-β1-Dobutamine-Gs/&β;1/&γ;2
Network Difference
Value beta1_off beta1_on
Imin 3.17 3.53
Number of Linked Nodes 276 256
Number of Specific Nodes 26 (9.42%) 6  (2.34%)
Number of Shared Nodes 250 (90.58%) 250  (97.66%)
Number of Links 313 282
Number of Specific Links 134 (42.81%) 103  (36.52%)
Number of Shared Links 179 (57.19%) 179  (63.48%)
Number of Hubs 38 35
Number of Specific Hubs 17 (44.74%) 14  (40.00%)
Number of Shared Hubs 21 (55.26%) 21  (60.00%)
Average % Shared Neighbours (Jaccard) 45.75
Average % Shared Neighbours (Otsuka) 54.40
Average % Shared Neighbours (Overlap Coefficient) 62.94
Average % Shared Cliques (k3-6) 54.79
Graphlets Similarity 0.675142
Paths Difference
Value beta1_off beta1_on
Number Of Nodes in MetaPath 66 61
Specific Nodes in MetaPath 28 (42.42%) 23  (37.70%)
Shared Nodes in MetaPath 250 (90.58%) 250  (90.58%)
Number Of Links MetaPath 69 63
Specific Links in MetaPath 49 (71.01%) 43  (68.25%)
Shared Links in MetaPath 179 (57.19%) 179  (57.19%)
Number of Shortest Paths 105385 60479
Length Of Smallest Path 3 3
Average Path Length 17.2247 13.1133
Length of Longest Path 39 26
Minimum Path Strength 0.7225 0.755
Average Path Strength 5.79424 6.82015
Maximum Path Strength 22.0175 23.37
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.919539 0.921131
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 2.77778 5
Average % Of Corr. Nodes 39.7332 46.064
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 41.5024 44.7869
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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