Orange: nodes, hubs and links specific of a2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of a2_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 a2_off Avg Int. Strength a2_on Avg Int. Strength a2_off Num Of Links a2_on Num Of Links ConSurf
11x60 a2_off1000426
22x40 a2_off65.384650438
3E1x50 a2_off69.23080437
43x31 a2_off73.07690435
53x41 a2_off11.53850435
63x49 a2_off80.769225439
73x50 a2_off57.692325519
83x54 a2_off00428
9I2x57 a2_off65.38460527
104x50 a2_off00439
114x59 a2_off3.846150436
125x45 a2_off76.923125414
135x461 a2_off00425
146x24 a2_off00413
156x59 a2_off96.153825423
166x60 a2_off80.769250436
177x33 a2_off3.846150414
187x56 a2_off15.38460427
198x49 a2_off15.384625436
201x39 Shared96.153875556
211x50 Shared3.8461550459
22I1x50 Shared96.153875568
232x42 Shared46.153850457
242x57 Shared88.4615100556
253x37 Shared10075555
26I2x53 Shared88.4615100657
27E2 Shared10010017163
28E2x52 Shared7.6923150454
295x39 Shared100100756
305x40 Shared61.538575456
315x42 Shared11.53850444
325x44 Shared42.3077100555
336x44 Shared10050549
346x48 Shared76.9231100458
356x52 Shared69.230850446
36E3 Shared76.923175562
377x42 Shared34.615475456
387x53 Shared10075559
398x50 Shared10075678
40Lig Shared10010010130
411x35 a2_on5075355
422x46 a2_on3.8461575149
432x50 a2_on23.0769100359
443x43 a2_on025348
454x56 a2_on11.538525344
464x60 a2_on23.076950345
474x61 a2_on050255
485x43 a2_on26.923125345
495x58 a2_on7.69231100349
505x62 a2_on00355
515x69 a2_on025245
526x30 a2_on00257
537x49 a2_on23.076975349
547x55 a2_on025156
   
Orange: nodes, hubs and links specific of a2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of a2_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 a2_off Recurrence a2_on Recurrence a2_off Hub1? a2_on Hub1? a2_off Hub2? a2_on Hub2? ConSurf1 ConSurf2
11x39 2x61 a2_off12.70234.20723YesYesNoNo66
21x36 2x61 a2_off11.44532.81178NoNoNoNo66
31x39 7x42 a2_off25.55339.44642YesYesYesYes66
47x38 7x42 a2_off33.82220.0543138NoNoYesYes46
57x38 Lig a2_off34.85287.72927NoNoYesYes40
63x39 6x44 a2_off1000NoNoYesYes99
73x39 Na1 a2_off99.96960NoNoNoNo90
82x50 Na1 a2_off99.9730NoYesNoNo90
92x50 7x46 a2_off23.02918.26405NoYesNoNo99
101x50 7x50 a2_off96.8271.70044YesYesNoNo99
111x53 7x50 a2_off95.92130NoNoNoNo99
121x53 7x53 a2_off95.62730NoNoYesYes99
137x53 8x50 a2_off55.93550YesYesYesYes98
148x50 8x54 a2_off12.37120YesYesNoNo86
151x52 8x54 a2_off10.45860NoNoNoNo66
168x50 I1x50 a2_off10.79310.831418YesYesYesYes88
172x43 7x53 a2_off33.19370NoNoYesYes89
182x40 2x43 a2_off32.62930YesNoNoNo88
193x49 I2x57 a2_off32.05830YesNoYesNo97
202x38 I2x57 a2_off20.78530NoNoYesNo67
212x39 3x50 a2_off17.77450NoNoYesNo89
225x42 E2 a2_off17.73735.03865YesYesYesYes43
235x42 5x461 a2_off20.96440YesYesYesNo45
243x37 5x461 a2_off21.0321.22833YesYesYesNo55
253x37 4x53 a2_off49.37650YesYesNoNo57
263x38 4x53 a2_off48.8731.83831NoNoNoNo67
273x38 4x50 a2_off47.79513.67245NoNoYesNo69
282x45 4x50 a2_off44.52077.31565NoNoYesNo99
293x40 6x44 a2_off44.82820NoNoYesYes79
303x37 3x40 a2_off42.24659.99791YesYesNoNo57
312x42 3x46 a2_off37.76570YesYesNoNo78
322x53 7x46 a2_off16.82490NoNoNoNo69
332x53 3x35 a2_off13.58090NoNoNoNo67
343x31 3x35 a2_off11.38448.51891YesNoNoNo57
353x46 6x37 a2_off36.62010NoNoNoNo88
363x47 5x58 a2_off33.26120NoNoNoYes99
373x49 I2x53 a2_off13.46267.817YesNoYesYes97
383x50 I2x53 a2_off13.34440YesNoYesYes97
393x47 5x57 a2_off32.08870NoNoNoNo97
403x52 I2x53 a2_off16.90940NoNoYesYes57
413x54 5x61 a2_off22.44112.73658YesNoNoNo89
423x52 3x56 a2_off20.46095.69877NoNoNoNo55
433x56 I2x52 a2_off10.24233.44266NoNoNoNo55
442x38 4x39 a2_off17.39940NoNoNoNo61
455x37 6x59 a2_off10.10370NoNoYesNo43
466x40 7x52 a2_off18.36240NoNoNoNo88
476x39 7x52 a2_off14.07774.8005NoNoNoNo68
486x39 7x56 a2_off12.98623.58053NoNoYesNo67
493x54 5x68 a2_off13.90190YesNoNoNo86
505x68 6x27 a2_off11.59060NoNoNoNo64
512x41 4x39 a2_off10.51940NoNoNoNo51
526x48 Lig Shared72.8821100YesYesYesYes80
536x44 6x48 Shared74.260866.7057YesYesYesYes98
541x50 2x50 Shared97.624421.433YesYesNoYes99
552x40 8x50 Shared34.785333.0645YesNoYesYes88
562x37 2x40 Shared67.671451.8696NoNoYesNo78
572x37 2x39 Shared66.133954.7692NoNoNoNo78
582x39 3x49 Shared46.801648.6275NoNoYesNo89
59E2 Lig Shared32.642950.023YesYesYesYes30
602x45 4x46 Shared42.303975.9348NoNoNoNo98
612x42 4x46 Shared41.185474.7149YesYesNoNo78
626x52 Lig Shared16.777615.7802YesYesYesYes60
635x58 6x37 Shared35.440844.1278NoYesNoNo98
645x57 5x61 Shared30.909321.4623NoNoNoNo79
655x44 6x52 Shared15.554413.9085YesYesYesYes56
666x40 7x53 Shared19.254612.9685NoNoYesYes89
677x30 7x32 a2_on018.0823NoNoNoNo31
687x30 E3 a2_on020.7395NoNoYesYes32
696x54 E3 a2_on025.9411NoNoYesYes52
706x54 7x34 a2_on7.9207927.0315NoNoNoNo54
717x34 Lig a2_on7.5592228.1136NoNoYesYes40
727x42 Lig a2_on018.4583YesYesYesYes60
736x48 7x45 a2_on047.7585YesYesNoNo89
747x45 7x49 a2_on046.5218NoNoNoYes99
752x50 7x49 a2_on019.0474NoYesNoYes99
761x50 2x51 a2_on2.3282510.0982YesYesNoNo97
773x43 6x44 a2_on6.9104250.9756NoYesYesYes89
782x46 3x43 a2_on051.7777NoYesNoYes98
792x46 3x42 a2_on083.4677NoYesNoNo97
802x45 3x42 a2_on1.3449182.2227NoNoNoNo97
812x42 3x49 a2_on057.2467YesYesYesNo79
827x54 8x50 a2_on014.9614NoNoYesYes78
831x53 7x54 a2_on013.3027NoNoNoNo97
842x46 7x49 a2_on1.1658234.9781NoYesNoYes99
851x53 7x55 a2_on011.6357NoNoNoYes96
862x40 I1x50 a2_on1.8720617.3303YesNoYesYes88
878x53 I1x50 a2_on2.0241311.7443NoNoYesYes78
882x42 4x42 a2_on019.4109YesYesNoNo77
893x26 E2 a2_on1.0002422.724NoNoYesYes63
903x26 4x61 a2_on020.259NoNoNoYes65
913x27 4x61 a2_on1.1556815.2246NoNoNoYes45
923x27 3x31 a2_on5.7750113.8667NoNoYesNo45
933x25 E2 a2_on7.4139213.7205NoNoYesYes93
943x25 E2x50 a2_on6.4440912.5423NoNoNoNo99
95E1x52 E2x50 a2_on011.1636NoNoNoNo69
963x40 6x48 a2_on011.2346NoNoYesYes78
973x43 7x53 a2_on019.2313NoYesYesYes89
985x54 6x44 a2_on038.6547NoNoYesYes89
995x54 5x58 a2_on037.0671NoNoNoYes89
1005x61 6x37 a2_on023.8312NoNoNoNo98
1015x53 5x57 a2_on017.159NoNoNoNo67
1023x44 5x53 a2_on016.3359NoNoNoNo76
1033x44 3x48 a2_on1.1658213.0102NoNoNoNo76
1043x48 3x52 a2_on012.5924NoNoNoNo65
105I2x53 I2x57 a2_on0.27371311.5145YesYesYesNo77
1064x39 4x42 a2_on012.4838NoNoNoNo17
1074x38 4x39 a2_on5.2884110.7249NoNoNoNo71
1085x58 6x40 a2_on012.6969NoYesNoNo98
1095x62 6x37 a2_on030.3948NoYesNoNo58
1105x62 6x30 a2_on025.2768NoYesNoYes57
1115x69 6x30 a2_on012.8222NoYesNoYes57
1128x53 8x57 a2_on010.3447NoNoNoNo76
1131x46 7x47 a2_on4.5314810.0104NoNoNoNo77
1142x46 2x50 a2_on013.6996NoYesNoYes99
1153x52 I2x57 a2_on8.6473210.2361NoNoYesNo57

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
1x351x39Shared15.538516.5550122
1x392x57Shared7.252317.1755122
1x397x42Shared12.830410.77255121
2x577x42Shared10.35086.965121
E1x51E2Shared13.86461.61750021
3x22E2Shared14.841223.8550021
3x25E2Shared4.467315.1251121
3x26E2Shared14.456511.02250121
3x335x39Shared3.699233.51751122
3x335x43a2_off7.2901121
3x366x48a2_off5.3184600011
3x373x40Shared4.3254.121122
3x406x44a2_off5.7469200022
4x605x39Shared16.529613.56251122
5x36E2Shared18.913810.2551021
5x38E2Shared9.518082.1651021
5x39E2Shared13.466510.5551121
E2E2Shared77.38514.461111
E2E2x51Shared13.786913.76751112
E2E2x52Shared13.948511.3951111
5x40E2x52Shared6.744234.04251111
E2x52LigShared34.757331.851110
5x365x38a2_off4.7646101022
5x376x55Shared7.334235.60751021
5x395x40a2_off3.7284601121
5x395x42Shared9.680779.54251122
5x395x43a2_off7.6923101121
5x40LigShared4.892698.07751110
5x445x47Shared3.426154.5851122
5x446x52Shared24.889217.821121
5x476x52Shared6.494238.99251121
6x446x48Shared14.841212.0250021
6x447x45a2_off8.1807700022
6x487x41Shared9.773855.250012
6x51LigShared15.23544.53250010
6x547x34Shared3.366153.040421
6x55LigShared10.35657.18250110
6x58E3Shared10.31962.56250021
6x61E3Shared10.185.8150421
7x34E3a2_off4.9938501011
7x34LigShared4.966924.33251010
7x387x42Shared4.030394.64250111
7x38LigShared10.168510.820110
1x352x64Shared4.258085.7250121
3x23E2Shared7.692.97751021
3x335x40Shared3.534623.181121
5x42E2Shared6.286153.511121
5x37E2a2_off4.2669201021
E2E3a2_off8.4761501111
E2LigShared6.943083.821110
5x436x52Shared3.485393.511111
6x48LigShared4.333083.510010
6x52LigShared5.533085.08251110
E3Liga2_off5.3426901410
6x517x37Shared3.090772.5450012
2x66E2x51a2_off3.0253800022
3x29E2x52Shared2.876923.11750021
2x607x42Shared2.816921.82750021
4x63E2a2_off2.2200021
1x357x38a2_on06.95250121
3x33E2x52a2_on03.35251121
3x36Liga2_on08.3550010
3x375x43a2_on04.291121
3x406x48a2_on012.33250021
5x406x55a2_on03.5051111
6x487x45a2_on09.32250012
6x517x41a2_on03.63750012
E3E3a2_on08.06751411
7x30E3a2_on05.85756421
7x42Liga2_on04.85755110
2x64Liga2_on03.94750010
4x60E2a2_on03.22251121
5x405x43a2_on03.1551111
5x43Liga2_on05.31110
6x54E3a2_on01.90421
2x66E2a2_on01.3050021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
a2_off a2a_off
a2_on a2b_on
Network Difference
Value a2_off a2_on
Imin 3.35231 3.11
Number of Linked Nodes 271 257
Number of Specific Nodes 18 (6.64%) 4  (1.56%)
Number of Shared Nodes 253 (93.36%) 253  (98.44%)
Number of Links 307 294
Number of Specific Links 136 (44.30%) 123  (41.84%)
Number of Shared Links 171 (55.70%) 171  (58.16%)
Number of Hubs 40 35
Number of Specific Hubs 19 (47.50%) 14  (40.00%)
Number of Shared Hubs 21 (52.50%) 21  (60.00%)
Average % Shared Neighbours (Jaccard) 42.72
Average % Shared Neighbours (Otsuka) 52.26
Average % Shared Neighbours (Overlap Coefficient) 62.13
Average % Shared Cliques (k3-6) 80.95
Graphlets Similarity 0.601108
Paths Difference
Value a2_off a2_on
Number Of Nodes in MetaPath 65 63
Specific Nodes in MetaPath 34 (52.31%) 32  (50.79%)
Shared Nodes in MetaPath 253 (93.36%) 253  (93.36%)
Number Of Links MetaPath 66 64
Specific Links in MetaPath 51 (77.27%) 49  (76.56%)
Shared Links in MetaPath 171 (55.70%) 171  (55.70%)
Number of Shortest Paths 55987 49425
Length Of Smallest Path 3 3
Average Path Length 16.7498 13.3707
Length of Longest Path 41 31
Minimum Path Strength 0.269808 0.615
Average Path Strength 6.26313 5.25778
Maximum Path Strength 21.7265 18.2508
Minimum Path Correlation 0.701154 0.7
Average Path Correlation 0.922956 0.924727
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 2.85714 4
Average % Of Corr. Nodes 40.6574 44.922
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 40.1791 42.1495
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 a2_off_on.zip<



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