Orange: nodes, hubs and links specific of a1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of a1_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 a1_off Avg Int. Strength a1_on Avg Int. Strength a1_off Num Of Links a1_on Num Of Links ConSurf
11x50 a1_off7.783757.03439
21x55 a1_off5.92253.57667434
3I1x50 a1_off6.908759.79438
43x23 a1_off6.87253.91421
53x50 a1_off10.176.20333439
63x53 a1_off12.58516.095428
73x56 a1_off2.28754.07667436
8E2.W156 a1_off7.4487510.2233431
9E2.P165 a1_off5.0956.27667435
10E2.I175 a1_off4.9056.48333433
115x40 a1_off5.0265.37667535
125x62 a1_off3.2253.93667536
136x44 a1_off7.928.20333539
147x45 a1_off5.5798.37667539
157x56 a1_off5.048755.875427
161x35 Shared8.1838.598555
172x42 Shared4.763753.574458
182x50 Shared7.768756.92459
192x57 Shared4.8555.7725646
203x22 Shared6.9674.39563
213x37 Shared5.3965.6675546
22I2x53 Shared8.0929.948557
23E2.N147 Shared4.79254.8025446
245x39 Shared7.957866.46167766
255x44 Shared9.7868.035545
265x461 Shared10.0129.116558
276x48 Shared9.3767.59571578
286x59 Shared5.0354.2825444
297x35 Shared5.1956.1975443
307x42 Shared4.800836.37333667
317x49 Shared4.319.88449
327x53 Shared5.6765.022559
338x50 Shared4.9185.8125549
34Lig Shared10.66589.272221290
351x32 a1_on10.566.52144
361x39 a1_on11.49838.98356
372x40 a1_on6.557.704358
382x46 a1_on2.8256.615249
393x33 a1_on4.133334.415344
403x34 a1_on5.595.95245
413x40 a1_on4.613337.438358
424x60 a1_on6.701676.095344
43E2.W146 a1_on8.2055.2125346
44E2x52 a1_on26.17758.302254
45E2.V174 a1_on5.84.54343
465x42 a1_on8.586675.85345
475x58 a1_on4.5355.71833369
486x51 a1_on10.18756.435246
49E3.K265 a1_on3.274.4775343
507x38 a1_on7.07255.825245
517x39 a1_on7.7155.97255
   
Orange: nodes, hubs and links specific of a1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of a1_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 a1_off Recurrence a1_on Recurrence a1_off Hub1? a1_on Hub1? a1_off Hub2? a1_on Hub2? ConSurf1 ConSurf2
11x35 2x64 a1_off14.99119.04602YesYesNoNo53
21x35 Lig a1_off25.90230YesYesYesYes50
31x36 2x64 a1_off11.92980NoNoNoNo53
46x48 Lig a1_off1000YesYesYesYes80
57x49 7x53 a1_off91.54670YesYesYesYes99
61x53 7x53 a1_off12.16230NoNoYesYes99
77x53 8x50 a1_off89.66450YesYesYesYes99
88x50 8x54 a1_off16.61870YesYesNoNo97
91x52 8x57 a1_off12.12360NoNoNoNo77
101x55 8x57 a1_off10.66760YesNoNoNo47
116x32 8x50 a1_off81.15590NoNoYesYes79
126x32 8x48 a1_off80.46940NoNoNoNo74
138x48 8x49 a1_off79.72210NoNoNoNo46
148x49 I1x50 a1_off44.70772.04265NoNoYesNo68
152x37 3x53 a1_off29.72210NoNoYesNo78
163x53 I2x53 a1_off11.32090.471381YesNoYesYes87
176x44 6x48 a1_off23.54966.50393YesNoYesYes98
183x39 6x44 a1_off22.20440NoNoYesNo99
192x49 3x39 a1_off20.85920NoNoNoNo89
202x49 3x38 a1_off19.88491.73401NoNoNoNo87
213x38 4x50 a1_off30.09851.73401NoNoNoNo79
222x45 4x50 a1_off28.91940NoNoNoNo99
232x45 4x46 a1_off27.90631.93042NoNoNoNo98
242x42 4x46 a1_off25.86913.85522YesYesNoNo88
252x42 3x46 a1_off22.96280YesYesNoNo89
263x25 E2.V174 a1_off28.05585.47699NoNoNoYes93
273x25 E2x50 a1_off25.26570.0112233NoNoNoNo99
28E1x52 E2x50 a1_off17.34940NoNoNoNo79
293x24 E1x52 a1_off12.78237.76094NoNoNoNo57
303x23 3x27 a1_off13.76779.73064YesNoNoNo14
313x27 4x61 a1_off10.3417.80584NoNoNoNo45
325x40 Lig a1_off20.57680YesNoYesYes50
335x39 5x40 a1_off13.53525.79125YesYesYesNo65
343x40 6x44 a1_off12.22322.10438NoYesYesNo89
355x39 5x42 a1_off13.34156.83502YesYesNoYes65
363x46 6x37 a1_off21.96630NoNoNoNo98
375x58 6x37 a1_off21.42943.56341NoYesNoNo98
383x53 6x30 a1_off13.02040YesNoNoNo86
397x56 8x49 a1_off51.69950YesNoNoNo76
406x35 7x56 a1_off43.53960NoNoYesNo77
415x62 6x35 a1_off42.46010YesNoNoNo67
425x62 6x31 a1_off33.52520YesNoNoNo65
435x65 6x31 a1_off32.01950NoNoNoNo85
443x54 5x61 a1_off27.64060NoNoNoNo99
453x51 5x61 a1_off26.09610NoNoNoNo79
463x51 3x55 a1_off19.78528.92256NoNoNoNo77
473x55 3x56 a1_off18.17980NoNoYesNo76
483x56 I2x52 a1_off13.29725.66779YesNoNoNo65
494x60 E2.I175 a1_off13.90616.99776NoYesYesNo43
504x60 5x39 a1_off13.77885.7688NoYesYesYes46
515x36 E2.W146 a1_off11.16590NoNoNoYes56
52E2.P165 E2.W156 a1_off13.13115.83614YesNoYesNo51
536x58 Lig a1_off30.46940NoNoYesYes40
545x37 6x58 a1_off21.08060NoNoNoNo34
555x41 6x59 a1_off30.66322.0651NoNoYesYes44
565x41 5x45 a1_off24.6180NoNoNoNo44
575x44 5x45 a1_off21.57881.72839YesYesNoNo54
585x62 6x38 a1_off15.80490YesNoNoNo66
596x26 6x30 a1_off11.7360NoNoNoNo36
602x57 7x42 a1_off13.77886.25701YesYesYesYes67
616x44 7x45 a1_off13.14770YesNoYesNo99
625x58 6x38 a1_off14.7310NoYesNoNo96
633x38 4x53 a1_off11.82465.17957NoNoNoNo78
646x48 7x45 Shared86.143794.5062YesYesYesNo89
657x45 7x49 Shared96.4626100YesNoYesYes99
662x50 7x49 Shared19.995659.1246YesYesYesYes99
671x50 2x50 Shared10.418594.1526YesNoYesYes99
681x52 8x54 Shared13.546313.4961NoNoNoNo77
692x40 I1x50 Shared32.357210.1235NoYesYesNo88
702x37 2x40 Shared31.233435.202NoNoNoYes78
71E2x52 Lig Shared60.468353.0696NoYesYesYes40
72E2.I175 E2x52 Shared59.333549.1919YesNoNoYes34
73E2.I175 E2.V174 Shared68.296154.5174YesNoNoYes33
743x22 E2.V174 Shared40.555846.7228YesYesNoYes33
753x22 E2.V152 Shared31.659722.5533YesYesNoNo31
76E2.P165 E2.V152 Shared25.6220.9147YesNoNoNo51
77E2.E164 E2.P165 Shared13.269513.468NoNoYesNo35
783x37 4x53 Shared13.108913.5971YesYesNoNo68
795x42 5x461 Shared16.253310.5556NoYesYesYes58
803x47 5x58 Shared21.06411.257NoNoNoYes99
813x54 5x65 Shared30.497120.1347NoNoNoNo98
826x55 Lig Shared21.700615.0112NoNoYesYes50
835x37 6x55 Shared22.027213.2772NoNoNoNo35
845x37 6x59 Shared40.190410.2637NoNoYesYes34
856x48 7x41 Shared10.983218.2772YesYesNoNo87
863x37 5x461 Shared14.675613.5129YesYesYesYes68
871x39 7x39 a1_on025.0337NoYesNoYes65
881x35 7x35 a1_on0.6975211.5769YesYesYesYes53
891x35 1x36 a1_on010.303YesYesNoNo55
901x35 7x38 a1_on027.7273YesYesNoYes55
911x39 7x42 a1_on1.6441537.1324NoYesYesYes67
922x56 7x42 a1_on2.8565157.4467NoNoYesYes67
932x53 2x56 a1_on9.2559857.615NoNoNoNo86
942x53 7x46 a1_on8.2761358.0976NoNoNoNo89
952x50 7x46 a1_on8.0270159.4444YesYesNoNo99
961x50 2x51 a1_on5.4528331.1841YesNoNoNo97
971x47 2x51 a1_on029.0123NoNoNoNo67
981x47 1x48 a1_on2.2918526.8294NoNoNoNo64
991x50 7x50 a1_on3.9083368.1987YesNoNoNo99
1001x48 1x49 a1_on024.6352NoNoNoNo48
1011x49 1x52 a1_on022.4299NoNoNoNo87
1021x53 7x50 a1_on4.661266.4198NoNoNoNo99
1031x53 2x47 a1_on6.1392815.6285NoNoNoNo99
1041x53 8x50 a1_on051.9641NoNoYesYes99
1051x54 2x47 a1_on5.2092613.4287NoNoNoNo79
1062x40 8x50 a1_on047.5309NoYesYesYes89
1072x37 2x39 a1_on015.6229NoNoNoNo78
1082x37 I2x54 a1_on018.165NoNoNoNo74
1092x39 3x49 a1_on0.18268412.7497NoNoNoNo89
1102x42 3x49 a1_on012.8339YesYesNoNo89
1112x46 2x50 a1_on3.3381320.0281NoYesYesYes99
1126x51 7x38 a1_on012.0595NoYesNoYes65
1136x51 7x41 a1_on018.1818NoYesNoNo67
1147x38 Lig a1_on8.3813113.9001NoYesYesYes50
1153x36 Lig a1_on068.5802NoNoYesYes60
1163x36 6x48 a1_on1.6939868.8664NoNoYesYes68
1173x43 7x49 a1_on076.532NoNoYesYes89
1183x40 6x48 a1_on030.1852NoYesYesYes88
1193x37 3x40 a1_on8.71924.7475YesYesNoYes68
1203x22 3x26 a1_on1.5500413.3895YesYesNoNo35
1213x23 3x26 a1_on011.6442YesNoNoNo15
1223x21 E2.E164 a1_on2.3472111.5769NoNoNoNo63
1233x33 Lig a1_on019.1863NoYesYesYes40
1243x33 5x39 a1_on3.1111615.4265NoYesYesYes46
1253x43 7x53 a1_on094.422NoNoYesYes89
1263x50 7x53 a1_on044.2031YesNoYesYes99
1273x50 5x58 a1_on043.0303YesNoNoYes99
1286x40 7x53 a1_on044.3603NoNoYesYes89
1295x58 6x40 a1_on042.8171NoYesNoNo98
130I2x53 I2x54 a1_on1.6884416.9529YesYesNoNo74
1313x52 I2x53 a1_on1.6884415.0898NoNoYesYes57
1325x58 5x61 a1_on060.0337NoYesNoNo99
1335x61 5x65 a1_on056.9416NoNoNoNo98
1343x54 5x64 a1_on1.7216617.3232NoNoNoNo95
1353x55 5x64 a1_on011.431NoNoNoNo75
1365x38 E2.W146 a1_on011.257NoNoNoYes36
1375x58 6x41 a1_on011.1785NoYesNoNo98
1385x65 6x33 a1_on038.4736NoNoNoNo87
1395x69 6x33 a1_on035.275NoNoNoNo47
1405x69 5x70 a1_on031.8013NoNoNoNo40
1415x66 5x70 a1_on028.3109NoNoNoNo50
1425x62 5x66 a1_on1.7216621.2963YesNoNoNo65
1435x62 6x30 a1_on014.2368YesNoNoNo66
1446x27 6x30 a1_on010.7015NoNoNoNo16
1456x47 7x48 a1_on0.049822911.532NoNoNoNo86
1466x51 7x37 a1_on3.4488516.2009NoYesNoNo65
1476x54 7x37 a1_on014.4276NoNoNoNo45
1488x54 8x55 a1_on011.4703NoNoNoNo75
1492x46 3x43 a1_on019.3996NoYesNoNo98
1507x42 Lig a1_on043.5129YesYesYesYes70

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
1x322x64Shared10.567.920122
1x351x39Shared15.1517.961112
1x352x64Shared10.4656.981112
1x357x35Shared5.965.961111
1x357x39a1_off4.12501112
1x35Liga1_off5.21501110
1x392x57Shared8.888.21122
1x397x42Shared10.46512.311121
2x563x32a1_off4.8100021
2x567x42Shared3.464.150021
2x577x42Shared4.646.631121
3x29E2.I175a1_off3.2500022
3x32LigShared6.616.870010
3x335x39Shared6.455.861112
3x335x40a1_off4.2401111
3x366x48Shared9.7853.640011
3x406x44Shared5.656.280222
4x60E2.I175Shared3.395.081122
4x605x39Shared13.21512.521122
E2.I175E2x52Shared10.67511.30021
E2x52LigShared41.6820.060110
E2.E172LigShared7.497.860010
5x376x55Shared5.614.210021
5x376x58a1_off4.51500021
5x395x40Shared5.3854.791121
5x395x43a1_off4.6501122
5x405x43Shared7.017.011012
5x406x55a1_off4.9101011
5x40Liga1_off3.58501010
6x446x48Shared16.5411.021221
6x447x45a1_off6.64501222
6x477x45Shared9.6857.451222
6x487x41Shared11.7756.061212
6x487x45Shared3.9556.781212
6x48Liga1_off4.82501210
6x51LigShared18.0110.940110
6x547x34a1_off3.68500021
6x55LigShared15.2559.051010
6x58Liga1_off3.80500010
7x317x35Shared3.8155.090021
7x34Liga1_off3.73500010
7x35Liga1_off8.9401110
7x387x42Shared5.3053.980111
7x38LigShared8.846.580110
7x417x42a1_off3.4700021
6x58E3.K265Shared4.5057.510012
1x362x64a1_off2.8304022
6x517x37Shared2.3653.150112
1x317x35a1_off2.06500021
3x334x57a1_off1.7101112
2x607x42Shared1.4654.390021
1x327x35a1_on06.760121
1x351x36a1_on03.631112
1x357x38a1_on08.461111
2x647x35a1_on06.980121
3x334x60a1_on03.281112
3x33E2x52a1_on04.871111
3x33Liga1_on03.651110
3x36Liga1_on011.660010
3x406x48a1_on018.790221
5x375x40a1_on04.330021
6x476x48a1_on03.711221
6x486x52a1_on03.171212
6x517x38a1_on04.280111
6x517x41a1_on07.370112
6x54E3.K265a1_on04.230022
7x34E3.K265a1_on04.50012
7x42Liga1_on06.781110
3x29E2x52a1_on02.770021
E2.E172E2x51a1_on02.540012
2x63E2x52a1_on02.510021
1x397x39a1_on02.331122
6x547x37a1_on01.580022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
a1_off 5UEN-A1-DU172
5N2S-A1-PSB36
a1_on 7LD4-A1-Adenosine-Gi2/&β;1/&γ;2
Network Difference
Value a1_off a1_on
Imin 3.005 3.07
Number of Linked Nodes 284 269
Number of Specific Nodes 21 (7.39%) 6  (2.23%)
Number of Shared Nodes 263 (92.61%) 263  (97.77%)
Number of Links 316 297
Number of Specific Links 142 (44.94%) 123  (41.41%)
Number of Shared Links 174 (55.06%) 174  (58.59%)
Number of Hubs 34 36
Number of Specific Hubs 15 (44.12%) 17  (47.22%)
Number of Shared Hubs 19 (55.88%) 19  (52.78%)
Average % Shared Neighbours (Jaccard) 42.09
Average % Shared Neighbours (Otsuka) 51.33
Average % Shared Neighbours (Overlap Coefficient) 60.91
Average % Shared Cliques (k3-6) 79.17
Graphlets Similarity 0.573699
Paths Difference
Value a1_off a1_on
Number Of Nodes in MetaPath 85 86
Specific Nodes in MetaPath 39 (45.88%) 40  (46.51%)
Shared Nodes in MetaPath 263 (92.61%) 263  (92.61%)
Number Of Links MetaPath 86 87
Specific Links in MetaPath 63 (73.26%) 64  (73.56%)
Shared Links in MetaPath 174 (55.06%) 174  (55.06%)
Number of Shortest Paths 46979 49425
Length Of Smallest Path 3 3
Average Path Length 13.6732 13.6028
Length of Longest Path 37 33
Minimum Path Strength 0.735 1.4
Average Path Strength 5.98656 6.15623
Maximum Path Strength 29.845 17.04
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.919722 0.92871
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.33333 3.84615
Average % Of Corr. Nodes 44.6651 52.2151
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 39.7359 39.7394
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 a1_off_on.zip<



You can click to copy the link of this page to easily come back here later

or use this QR code to link and share this page.



You can also  read or  download a guide explaining the meaning of all files and numerical data.