Orange: nodes, hubs and links specific of beta1_off_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of beta1_off 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_allo Avg Int. Strength beta1_off Avg Int. Strength beta1_off_allo Num Of Links beta1_off Num Of Links ConSurf
11x46 beta1_off_allo3.6554.39333437
21x57 beta1_off_allo4.8753.15667437
32x40 beta1_off_allo6.7956439
42x50 beta1_off_allo8.5957.92333439
52x59 beta1_off_allo8.185.67833434
64x57 beta1_off_allo3.94256.025427
74x59 beta1_off_allo3.77751.51426
8E2.T203 beta1_off_allo5.166.285434
95x44 beta1_off_allo3.26753.815416
105x47 beta1_off_allo13.117514.4817437
115x51 beta1_off_allo4.74754.805436
125x64 beta1_off_allo4.94754.8575426
136x20 beta1_off_allo8.8180502
146x27 beta1_off_allo5.3652.40167433
15E3.V320 beta1_off_allo4.87753.93333435
16I1x50 Shared6.35255.435458
172x42 Shared5.024.26568
182x57 Shared3.85752.80375447
19E1x50 Shared7.674298.00429777
20E1x52 Shared10.20257.673455
213x28 Shared8.26256.4225446
223x37 Shared6.2556.255446
233x41 Shared5.63257.2425446
243x50 Shared6.0626.3775569
25I2x53 Shared8.7347.397557
26E2.W182 Shared8.658337.04429675
27E2.Y193 Shared6.4386.434553
28E2x52 Shared8.3587.11833564
295x39 Shared6.605715.92714777
306x44 Shared7.886.876459
316x48 Shared8.307148.2425768
326x51 Shared7.9948.241557
336x52 Shared11.2712.449657
347x39 Shared6.7285.07556
357x42 Shared8.451678.674657
368x50 Shared5.748576.506758
37Lig Shared7.688678.2415130
381x60 beta1_off6.273.70375346
392x56 beta1_off4.923335.2325347
403x26 beta1_off4.926.59875146
413x49 beta1_off9.793337.0875349
424x50 beta1_off6.983335.405349
434x61 beta1_off5.2554.78125246
44E2.R183 beta1_off15.056712.7687344
455x48 beta1_off5.736676.01125345
466x41 beta1_off4.973.344358
476x59 beta1_off4.513.18375245
487x33 beta1_off5.076676.38625344
497x34 beta1_off3.4554.32875244
507x49 beta1_off6.275.4975249
517x50 beta1_off5.786674.9525349
527x53 beta1_off6.56.659259
537x55 beta1_off1.077.08375147
   
Orange: nodes, hubs and links specific of beta1_off_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of beta1_off 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_allo Recurrence beta1_off Recurrence beta1_off_allo Hub1? beta1_off Hub1? beta1_off_allo Hub2? beta1_off Hub2? ConSurf1 ConSurf2
12x64 2x65 beta1_off_allo10.62720NoNoNoNo55
22x64 7x39 beta1_off_allo12.18110.694956NoNoYesYes56
32x46 3x39 beta1_off_allo99.58780NoNoNoNo99
43x39 Na beta1_off_allo98.25110NoNoNoNo90
52x50 Na beta1_off_allo95.54420YesNoNoNo90
61x46 7x46 beta1_off_allo21.31565.74215YesNoNoNo79
71x46 2x54 beta1_off_allo11.79121.43968YesNoNoNo77
81x53 7x50 beta1_off_allo54.63968.53119NoNoNoYes99
91x53 7x53 beta1_off_allo52.96874.49049NoNoNoYes99
101x60 I1x50 beta1_off_allo13.66835.50619NoYesYesYes68
113x33 Lig beta1_off_allo63.66273.22593NoNoYesYes60
123x33 4x57 beta1_off_allo62.50975.78086NoNoYesNo67
133x34 4x57 beta1_off_allo64.71540NoNoYesNo57
143x34 4x50 beta1_off_allo63.61261.61665NoNoNoYes59
152x42 4x42 beta1_off_allo10.38771.82864YesYesNoNo87
163x49 3x50 beta1_off_allo62.59336.87767NoYesYesYes99
17E2.R183 E2.W182 beta1_off_allo13.14474.14762NoYesYesYes45
18E2.T203 Lig beta1_off_allo28.12740YesNoYesYes40
19E2.T203 E2.W182 beta1_off_allo26.82410.0423979YesNoYesYes45
204x61 E2.W182 beta1_off_allo18.85934.15684NoYesYesYes65
213x30 4x61 beta1_off_allo14.97164.09785NoNoNoYes66
223x30 4x58 beta1_off_allo11.48491.41019NoNoNoNo65
233x40 5x50 beta1_off_allo19.37737.57447NoNoNoNo89
246x52 Lig beta1_off_allo14.18073.94669YesYesYesYes70
255x47 6x52 beta1_off_allo13.31182.27105YesNoYesYes77
265x47 5x51 beta1_off_allo10.92240YesNoYesNo76
275x49 5x50 beta1_off_allo17.48916.83343NoNoNoNo59
283x50 6x34 beta1_off_allo59.141.60743YesYesNoNo97
295x61 6x34 beta1_off_allo52.51750NoNoNoNo97
303x51 5x61 beta1_off_allo15.75141.85813NoNoNoNo89
313x54 5x61 beta1_off_allo35.00610NoNoNoNo99
32I2x53 I2x57 beta1_off_allo12.42621.85813YesYesNoNo76
334x41 I2x57 beta1_off_allo10.38210NoNoNoNo76
344x60 5x39 beta1_off_allo13.54024.82783NoNoYesYes77
35E2.A189 E2.Y193 beta1_off_allo22.46852.11068NoNoYesYes43
36E2.A189 E2.D184 beta1_off_allo18.35250NoNoNoNo44
37E2.L190 E2.Y193 beta1_off_allo13.82984.21951NoNoYesYes13
38E2.D184 E2.D186 beta1_off_allo13.77972.90702NoNoNoNo41
39E1x49 E1x51 beta1_off_allo48.93065.6426NoNoNoNo34
40E1x49 E2.G197 beta1_off_allo42.79830NoNoNoNo34
41E2.D195 E2.G197 beta1_off_allo36.65482.11068NoNoNoNo34
42E2.C198 E2.D195 beta1_off_allo24.33448.42612NoNoNoNo53
435x45 5x49 beta1_off_allo11.75786.0887NoNoNoNo45
445x64 5x68 beta1_off_allo29.98220YesNoNoNo67
455x68 6x20 beta1_off_allo28.03270NoNoYesNo72
466x20 6x22 beta1_off_allo12.32590YesNoNoNo24
476x22 6x26 beta1_off_allo10.43780NoNoNoNo44
486x47 7x45 beta1_off_allo11.62423.8324NoNoNoNo89
496x51 Lig beta1_off_allo17.21067.75881YesYesYesYes70
507x34 E3.V320 beta1_off_allo31.30220NoYesYesNo45
516x54 7x37 beta1_off_allo14.43130NoNoNoNo45
526x48 6x51 beta1_off_allo13.49562.43143YesYesYesYes87
537x39 7x42 Shared18.976310.9147YesYesYesYes67
547x42 Lig Shared67.795569.2026YesYesYesYes70
556x48 Lig Shared81.480445.1464YesYesYesYes80
566x44 6x48 Shared92.096547.9778YesYesYesYes98
573x43 6x44 Shared99.019737.2935NoNoYesYes89
582x46 3x43 Shared96.151336.7995NoNoNoNo98
592x50 7x46 Shared28.734586.0032YesNoNoNo99
601x50 2x50 Shared69.176816.2642NoNoYesNo99
611x50 7x50 Shared64.431310.0243NoNoNoYes99
627x53 8x50 Shared51.286641.8283NoYesYesYes98
638x50 I1x50 Shared20.98712.6493YesYesYesYes88
642x45 4x50 Shared68.987433.474NoNoNoYes99
652x45 4x46 Shared100100NoNoNoNo97
662x42 4x46 Shared98.501798.3539YesYesNoNo87
672x42 3x49 Shared80.678422.6571YesYesNoYes89
683x49 I2x53 Shared16.609112.3728NoYesYesYes97
692x46 3x42 Shared44.758836.3129NoNoNoNo98
702x56 7x42 Shared52.088766.3711NoYesYesYes77
712x56 3x28 Shared95.505235.7746NoYesYesYes76
722x59 3x28 Shared41.394713.9895YesNoYesYes46
733x28 E1x50 Shared48.345819.3334YesYesYesYes67
742x59 E1x52 Shared33.719512.6051YesNoYesYes45
75E1x50 E1x52 Shared33.535712.6733YesYesYesYes75
76E1x51 E1x52 Shared55.051811.2723NoNoYesYes45
77E2x52 Lig Shared29.486519.6302YesYesYesYes40
78E2.W182 E2x52 Shared26.779515.3333YesYesYesYes54
795x39 Lig Shared43.321826.6885YesYesYesYes70
805x39 E2.W182 Shared28.049515.6632YesYesYesYes75
815x461 Lig Shared14.693169.068NoNoYesYes60
823x37 5x461 Shared10.827767.8735YesYesNoNo66
833x40 6x44 Shared27.726411.2244NoNoYesYes89
843x54 5x64 Shared33.112410.5755NoNoYesNo96
85E2.W182 E2.Y193 Shared47.103724.2221YesYesYesYes53
86E2.C198 E2x51 Shared11.969510.5147NoNoNoNo55
876x51 7x34 Shared33.535712.371YesYesNoYes74
886x54 E3.V320 Shared16.798515.2798NoNoYesNo45
892x45 3x42 Shared43.611568.6901NoNoNoNo98
903x32 Lig Shared47.60561.3589NoNoYesYes70
912x56 3x32 Shared46.307260.9516NoYesNoNo77
922x53 2x56 beta1_off097.7824NoNoNoYes87
932x53 7x46 beta1_off5.9429791.9389NoNoNoNo89
942x50 7x49 beta1_off3.9712669.35YesNoNoYes99
957x49 7x53 beta1_off046.6985NoYesNoYes99
962x40 8x50 beta1_off3.6537811.1248YesNoYesYes98
973x37 3x41 beta1_off6.3439936.4437YesYesYesYes66
983x41 4x49 beta1_off1.9661434.4031YesYesNoNo66
993x42 4x49 beta1_off033.9312NoNoNoNo86
1003x37 4x53 beta1_off3.4922636.4161YesYesNoNo68
1013x38 4x53 beta1_off6.30535.9018NoNoNoNo78
1023x38 4x50 beta1_off5.8371435.3838NoNoNoYes79
1032x42 3x46 beta1_off5.8037270.8708YesYesNoNo89
104E2.V202 E2.Y193 beta1_off7.8144116.3637NoNoYesYes43
105E2.V202 E2x51 beta1_off014.4927NoNoNoNo45
1063x46 6x41 beta1_off065.8752NoNoNoYes98
1073x47 6x41 beta1_off055.4601NoNoNoYes88
1083x47 5x57 beta1_off2.0998153.7163NoNoNoNo86
1095x56 5x57 beta1_off048.7023NoNoNoNo56
1105x56 5x60 beta1_off1.9828446.9418NoNoNoNo55
1113x51 5x60 beta1_off043.4099NoNoNoNo85
1123x51 3x55 beta1_off6.4498239.8632NoNoNoNo87
1133x54 3x55 beta1_off023.9585NoNoNoNo97
1143x54 5x68 beta1_off011.6778NoNoNoNo97
1153x55 3x56 beta1_off4.1940514.5111NoNoNoNo76
1163x56 I2x52 beta1_off2.0998112.677NoNoNoNo65
117I2x51 I2x52 beta1_off010.8391NoNoNoNo65
1186x40 7x49 beta1_off1.9884112.8502NoNoNoYes89
1196x40 7x52 beta1_off012.0742NoNoNoNo88
1206x39 7x52 beta1_off3.9155610.6732NoNoNoNo78
1216x54 7x34 beta1_off016.7877NoNoNoYes44

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
2x563x32Shared6.577.31121
2x567x42Shared5.683.791121
2x577x39Shared3.6754.93122
3x29E2x52Shared6.4857.780021
3x327x42Shared10.3410.341111
3x32LigShared18.8918.281110
3x334x57Shared5.6554.850012
3x334x61beta1_off3.8400012
3x33LigShared8.6711.040010
3x366x48Shared11.6513.481111
3x36LigShared3.6554.011110
3x374x57Shared6.3954.87622
3x375x461Shared7.9959.597621
4x61E2.W182Shared4.75.871022
4x61E2x52beta1_off4.39501021
E2.W182E2x52Shared10.0211.021121
E2.T203E2.W182Shared5.463.641112
5x39E2.W182Shared5.796.751112
E2.T203E2x52Shared7.787.781111
5x39E2x52Shared5.166.191111
E2x52LigShared8.879.021110
5x39E2.T203Shared5.6156.241111
5x365x39Shared3.493.490021
5x395x43Shared15.2615.261111
5x39LigShared4.095.531110
5x43LigShared7.877.081110
5x445x48beta1_off3.81500112
5x461LigShared3.6454.040010
5x475x48Shared8.257.221122
5x476x52Shared32.1534.291121
5x486x52Shared4.1254.131121
5x486x56beta1_off7.85501122
6x446x48Shared9.5213.030121
6x447x45Shared6.6457.250122
6x486x51Shared6.5156.011111
6x486x52Shared5.516.011111
6x487x41Shared12.6711.261112
6x48LigShared3.593.841110
6x516x52Shared8.5758.571111
6x517x34Shared4.8254.291112
6x517x38Shared11.4812.081111
6x51LigShared9.819.021110
6x52LigShared11.88510.661110
6x557x34beta1_off4.2300112
6x55LigShared7.6257.40110
7x387x42Shared11.6312.791111
7x38LigShared14.85513.871110
7x397x42Shared12.05514.470121
7x42LigShared3.6655.531110
4x605x39Shared2.0852.780121
4x565x461Shared1.621.620021
2x577x42beta1_off_allo03.793121
E2.T203Ligbeta1_off_allo02.981110
5x446x52beta1_off_allo03.960111
5x446x55beta1_off_allo02.980111
5x446x56beta1_off_allo03.10112
5x44Ligbeta1_off_allo03.030110
6x487x45beta1_off_allo04.521112
4x564x57beta1_off_allo01.620022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
beta1_off_allo 4BVN-β1-Cyanopindolol-Na
beta1_off 2VT4-β1-Cyanopindolol
2YCZ-β1-Iodocyanopindolol
Network Difference
Value beta1_off_allo beta1_off
Imin 2.98 3.17
Number of Linked Nodes 268 276
Number of Specific Nodes 7 (2.61%) 15  (5.43%)
Number of Shared Nodes 261 (97.39%) 261  (94.57%)
Number of Links 315 313
Number of Specific Links 94 (29.84%) 92  (29.39%)
Number of Shared Links 221 (70.16%) 221  (70.61%)
Number of Hubs 37 38
Number of Specific Hubs 15 (40.54%) 16  (42.11%)
Number of Shared Hubs 22 (59.46%) 22  (57.89%)
Average % Shared Neighbours (Jaccard) 55.02
Average % Shared Neighbours (Otsuka) 63.97
Average % Shared Neighbours (Overlap Coefficient) 73.62
Average % Shared Cliques (k3-6) 77.99
Graphlets Similarity 0.705707
Paths Difference
Value beta1_off_allo beta1_off
Number Of Nodes in MetaPath 87 66
Specific Nodes in MetaPath 42 (48.28%) 21  (31.82%)
Shared Nodes in MetaPath 261 (97.39%) 261  (97.39%)
Number Of Links MetaPath 91 69
Specific Links in MetaPath 52 (57.14%) 30  (43.48%)
Shared Links in MetaPath 221 (70.16%) 221  (70.16%)
Number of Shortest Paths 58113 105385
Length Of Smallest Path 3 3
Average Path Length 14.2537 17.2247
Length of Longest Path 32 39
Minimum Path Strength 1.155 0.7225
Average Path Strength 6.56929 5.79424
Maximum Path Strength 22.475 22.0175
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.927502 0.919539
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.44828 2.77778
Average % Of Corr. Nodes 49.4705 39.7332
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 38.6729 41.5024
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_ortoallo.zip<



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