Orange: nodes, hubs and links specific of gabab_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of gabab_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 gabab_off Avg Int. Strength gabab_on Avg Int. Strength gabab_off Num Of Links gabab_on Num Of Links ConSurf
1R1.1x39 gabab_off2.638334.22667436
2R1.1x47 gabab_off0.7791672.975428
3R1.2x39 gabab_off3.7766710.195529
4R1.3x21 gabab_off5.466675.62667534
5R1.3x25 gabab_off4.255834.48667439
6R1.3x32 gabab_off1.934172.04667438
7R1.3x36 gabab_off4.149175.41667439
8R1.3x38 gabab_off2.81753.37437
9R1.4x53 gabab_off5.583337.07333439
10R1.4x60 gabab_off9.2416711.15439
11R1.5x36 gabab_off3.32255.84333435
12R1.5x39 gabab_off8.685839.35333438
13R1.5x40 gabab_off2.078677.51667535
14R1.5x43 gabab_off3.172679.05526
15R1.5x46 gabab_off5.030835.97427
16R1.5x47 gabab_off7.344178.89439
17R1.5x60 gabab_off6.730675.36667538
18R2.1x39 gabab_off2.09754.46333435
19R2.1x60 gabab_off4.629175.515424
20R2.2x40 gabab_off3.561674.51429
21R2.2x49 gabab_off1.6652.49333439
22R2.3x46 gabab_off3.8984.79539
23R2.3x49 gabab_off5.208335.835429
24R2.3x55 gabab_off3.9133312.37427
25R2.5x40 gabab_off3.318336.50667435
26R2.5x60 gabab_off6.304176.15419
27R2.6x33 gabab_off4.163331.425429
28R2.6x36 gabab_off4.386678.18426
29R2.E3 gabab_off3.591675.95667434
30R1.Allo1 gabab_off2.271330500
31R1.NT Shared737.964697.6698106
32R1.2x54 Shared4.425834.44458
33R1.2x59 Shared2.46252.7875446
34R1.E1 Shared14.452112.5512884
35R1.3x28 Shared3.271674.9575448
36R1.3x40 Shared5.395835.666458
37R1.3x43 Shared3.120833.924459
38R1.3x46 Shared4.777335.396559
39R1.3x49 Shared4.506677.5875749
40R1.3x51 Shared7.044175.8175448
41R1.4x64 Shared7.630836.395448
42R1.E2 Shared35.436135.637311114
43R1.5x44 Shared1.736674.646456
44R1.5x51 Shared4.726674.87458
45R1.I3 Shared5.5936110.48891297
46R1.6x33 Shared4.2385.64559
47R1.6x42 Shared3.041676.27167469
48R1.E3 Shared5.660568.42167665
49R1.7x35 Shared3.8657.295647
50R2.NT Shared786.625823.379786
51R2.2x42 Shared4.129334.406556
52R2.2x47 Shared3.80255.026457
53R2.2x54 Shared4.696114.902658
54R2.E1 Shared10.404312.5614775
55R2.3x40 Shared3.4146.73558
56R2.3x51 Shared5.561334.5675548
57R2.4x53 Shared4.938673.6575549
58R2.4x60 Shared6.469.724459
59R2.4x64 Shared6.765335.66549
60R2.E2 Shared33.592832.783113134
61R2.5x36 Shared3.14754.68445
62R2.5x51 Shared2.714763.814758
63R2.I3 Shared4.375835.91333867
64R2.7x35 Shared3.089175.125447
65R2.7x53 Shared6.247336.67559
66R1.1x60 gabab_on3.504444.5475345
67R1.I1 gabab_on2.652223.285346
68R1.I1x53 gabab_on6.1654.125249
69R1.2x43 gabab_on4.283334.4475349
70R1.3x30 gabab_on4.581116.89346
71R1.3x44 gabab_on4.097782.74359
72R1.4x38 gabab_on5.271116.4675346
73R1.4x42 gabab_on3.5756.2525248
74R1.4x57 gabab_on3.216677.005348
75R1.5x61 gabab_on3.462223.285349
76R1.6x50 gabab_on0.7633334.4275247
77R1.6x58 gabab_on2.943333.73356
78R1.7x43 gabab_on1.886672.765345
79R1.7x53 gabab_on7.023335.138359
80R1.7x60 gabab_on1.953334.62146
81R2.1x35 gabab_on3.0053.34245
82R2.1x36 gabab_on3.3054.285245
83R2.1x43 gabab_on4.321115.275347
84R2.I1 gabab_on2.624444.1775346
85R2.2x58 gabab_on4.457784.0175346
86R2.3x20 gabab_on6.633332.7225242
87R2.3x24 gabab_on3.013332.92244
88R2.I2 gabab_on3.44512.358256
89R2.5x39 gabab_on7.6966712.23348
90R2.5x46 gabab_on6.153334.4225345
91R2.6x39 gabab_on1.883335.6325146
92R2.6x41 gabab_on2.896672.71333369
93R2.6x47 gabab_on3.807785.9125347
94R1.Alloh56 gabab_on09.63857070
   
Orange: nodes, hubs and links specific of gabab_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of gabab_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 gabab_off Recurrence gabab_on Recurrence gabab_off Hub1? gabab_on Hub1? gabab_off Hub2? gabab_on Hub2? ConSurf1 ConSurf2
1R1.E1 R1.NT gabab_off37.49254.45546YesYesYesYes46
2R1.1x36 R1.7x35 gabab_off11.35960NoNoYesYes57
3R1.2x58 R1.2x59 gabab_off11.74511.47376NoNoYesYes56
4R1.3x24 R1.E1 gabab_off41.34433.22397NoNoYesYes54
5R1.7x521 R1.7x53 gabab_off16.22847.59549NoNoNoYes79
6R1.2x43 R1.7x521 gabab_off17.29530NoYesNoNo97
7R1.3x46 R1.6x37 gabab_off12.66969.44171YesYesNoNo99
8R1.3x47 R1.6x37 gabab_off28.11960NoNoNoNo99
9R1.3x36 R1.Allo1 gabab_off94.41490YesNoYesNo90
10R1.3x28 R1.Allo1 gabab_off1000YesYesYesNo80
11R1.3x25 R1.3x28 gabab_off55.13080YesNoYesYes98
12R1.3x25 R1.E2 gabab_off53.85851.77233YesNoYesYes94
13R1.2x43 R1.6x33 gabab_off10.26920NoYesYesYes99
14R1.6x33 R1.6x37 gabab_off15.25580YesYesNoNo99
15R1.3x24 R1.3x28 gabab_off38.03912.77612NoNoYesYes58
16R1.6x33 R1.I3 gabab_off10.3860YesYesYesYes97
17R1.5x53 R1.5x57 gabab_off35.51420NoNoNoNo79
18R1.3x44 R1.5x53 gabab_off40.20390.913309NoYesNoNo97
19R1.3x40 R1.3x44 gabab_off40.92212.72585YesYesNoYes89
20R1.2x45 R1.3x42 gabab_off12.65460NoNoNoNo67
21R1.3x47 R1.5x58 gabab_off31.6670.905266NoNoNoNo99
22R1.3x51 R1.5x57 gabab_off31.33530.931404YesYesNoNo89
23R1.3x51 R2.5x60 gabab_off32.96010YesYesYesNo89
24R1.5x36 R1.5x40 gabab_off14.11353.31797YesNoYesNo55
25R1.5x58 R1.6x42 gabab_off30.55680NoNoYesYes99
26R2.1x36 R2.7x35 gabab_off35.15140NoYesYesYes57
27R2.5x60 R2.5x61 gabab_off32.5030YesNoNoNo99
28R2.5x63 R2.5x64 gabab_off37.12110NoNoNoNo78
29R2.5x63 R2.6x35 gabab_off36.48310NoNoNoNo78
30R2.6x35 R2.6x36 gabab_off35.95150NoNoYesNo86
31R2.6x33 R2.6x36 gabab_off32.17790YesNoYesNo96
32R2.3x46 R2.6x33 gabab_off29.87920YesNoYesNo99
33R1.5x52 R1.5x55 gabab_off28.50320NoNoNoNo46
34R1.5x52 R2.5x49 gabab_off28.12430NoNoNoNo45
35R2.5x49 R2.5x50 gabab_off24.41280NoNoNoNo58
36R2.3x40 R2.5x50 gabab_off24.03770YesYesNoNo88
37R2.3x21 R2.E2x50 gabab_off10.62070.196535NoNoNoNo49
38R2.3x36 R2.3x40 gabab_off14.09094.62887NoNoYesYes98
39R2.3x36 R2.5x47 gabab_off13.67719.71063NoNoNoNo99
40R2.4x53 R2.5x47 gabab_off11.91190YesYesNoNo99
41R1.3x47 R1.6x41 Shared47.423310.2997NoNoNoNo98
42R1.3x40 R1.6x41 Shared56.689736.5922YesYesNoNo88
43R1.3x36 R1.3x40 Shared95.44637.5492YesNoYesYes98
44R1.E2 R1.NT Shared41.206769.6457YesYesYesYes46
45R1.1x57 R1.7x53 Shared14.08913.197NoNoNoYes99
46R1.3x43 R1.6x41 Shared13.315226.1763YesYesNoNo98
47R1.2x45 R1.3x38 Shared11.967510.1519NoNoYesNo67
48R1.5x55 R1.6x42 Shared28.885813.6569NoNoYesYes69
49R1.NT R2.NT Shared76.456195.9602YesYesYesYes66
50R2.E1 R2.NT Shared44.753335.0465YesYesYesYes56
51R2.2x62 R2.E1 Shared36.663134.0734NoNoYesYes55
52R2.1x36 R2.2x62 Shared35.907234.5504NoYesNoNo55
53R2.1x39 R2.7x35 Shared31.756633.721YesNoYesYes57
54R2.1x39 R2.7x39 Shared27.845334.3755YesNoNoNo56
55R2.2x57 R2.7x39 Shared27.057434.28NoNoNoNo86
56R2.1x43 R2.2x57 Shared18.156734.6132NoYesNoNo78
57R2.1x43 R2.2x54 Shared14.9184100NoYesYesYes78
58R2.5x61 R2.5x64 Shared37.954322.3758NoNoNoNo98
59R2.2x43 R2.3x46 Shared13.787462.6453NoNoYesNo99
60R2.2x43 R2.7x53 Shared12.552868.1835NoNoYesYes99
61R2.2x42 R2.3x46 Shared12.534927.8542YesYesYesNo69
62R2.E2 R2.NT Shared31.532326.8051YesYesYesYes46
63R1.7x35 R1.NT gabab_on018.3345YesYesYesYes76
64R1.7x35 R1.7x39 gabab_on1.9735415.9872YesYesNoNo77
65R1.2x57 R1.7x39 gabab_on2.7265715.2865NoNoNoNo87
66R1.3x38 R1.4x50 gabab_on0.71816310.9069YesNoNoNo77
67R1.3x37 R1.4x50 gabab_on011.2955NoNoNoNo97
68R1.3x37 R1.4x53 gabab_on0.60035411.7147NoNoYesNo99
69R1.4x53 R1.4x57 gabab_on065.1787YesNoNoYes98
70R1.3x29 R1.4x57 gabab_on062.4071NoNoNoYes58
71R1.3x29 R1.4x61 gabab_on062.859NoNoNoNo56
72R1.4x61 R1.E2 gabab_on064.8977NoNoYesYes64
73R1.2x46 R1.3x43 gabab_on9.402114.8628NoNoYesYes79
74R1.3x36 R1.5x47 gabab_on6.2052352.5663YesNoYesNo99
75R1.4x53 R1.5x47 gabab_on0.52495753.8309YesNoYesNo99
76R1.7x60 R1.I1x50 gabab_on010.7421NoYesNoNo69
77R1.1x57 R1.I1x50 gabab_on8.7074911.5614NoNoNoNo99
78R1.3x36 R1.5x51 gabab_on014.6989YesNoYesYes98
79R1.5x51 R1.6x45 gabab_on0.60600914.5054YesYesNoNo87
80R1.5x55 R1.6x45 gabab_on014.0816NoNoNoNo67
81R2.7x35 R2.NT gabab_on067.8713YesYesYesYes76
82R2.2x61 R2.7x35 gabab_on0.84916733.6215NoNoYesYes77
83R2.1x36 R2.2x61 gabab_on033.526NoYesNoNo57
84R2.1x36 R2.2x58 gabab_on067.3893NoYesNoYes56
85R2.1x43 R2.2x58 gabab_on2.5380866.9133NoYesNoYes76
86R2.1x47 R2.2x54 gabab_on3.3844249.7278NoNoYesYes88
87R2.1x47 R2.2x51 gabab_on2.540949.1985NoNoNoNo85
88R2.2x54 R2.7x47 gabab_on0.84822444.0127YesYesNoNo88
89R2.1x49 R2.7x47 gabab_on043.4799NoNoNoNo48
90R2.1x49 R2.1x53 gabab_on042.9511NoNoNoNo47
91R2.2x47 R2.2x51 gabab_on048.0967YesYesNoNo75
92R2.2x47 R2.7x53 gabab_on2.5578741.984YesYesYesYes79
93R2.1x53 R2.7x53 gabab_on0.64559341.8926NoNoYesYes79
94R2.2x39 R2.3x46 gabab_on033.6572NoNoYesNo99
95R2.2x39 R2.3x49 gabab_on032.8484NoNoYesNo99
96R2.3x49 R2.3x53 gabab_on031.6888YesNoNoNo98
97R2.3x53 R2.I2 gabab_on030.5282NoNoNoYes86
98R2.3x55 R2.I2 gabab_on1.8868328.204YesNoNoYes76
99R2.3x51 R2.3x55 gabab_on5.3023427.0404YesYesYesNo87
100R2.3x51 R2.5x61 gabab_on5.8668923.5435YesYesNoNo89
101R2.5x64 R2.I3 gabab_on018.8583NoNoYesYes87
102R2.I1x49 R2.I3 gabab_on015.3488NoNoYesYes47
103R2.7x59 R2.I1x49 gabab_on0.64559314.1741NoNoNoNo44
104R2.7x59 R2.7x60 gabab_on011.8217NoNoNoNo46
105R2.7x60 R2.I1x50 gabab_on010.644NoNoNoNo68
106R2.2x42 R2.3x42 gabab_on0.64559321.2072YesYesNoNo67
107R2.2x45 R2.3x42 gabab_on020.0375NoNoNoNo57
108R2.2x45 R2.3x38 gabab_on0.61354918.8668NoNoNoNo57
109R2.7x521 R2.7x53 gabab_on0.01790714.1862NoNoYesYes89
110R2.3x38 R2.4x50 gabab_on1.2261617.6952NoNoNoNo75
111R2.3x37 R2.4x50 gabab_on1.8368816.5225NoNoNoNo85
112R2.3x37 R2.4x53 gabab_on6.0591515.3488NoNoYesYes89
113R2.5x36 R2.E2 gabab_on6.8432913.7986YesYesYesYes54
114R2.5x36 R2.5x40 gabab_on6.0930813.0884YesYesYesNo55
115R2.5x40 R2.5x44 gabab_on3.4937411.5101YesNoNoNo56
116R2.5x44 R2.5x47 gabab_on010.6124NoNoNoNo69
117R2.4x53 R2.5x46 gabab_on0.016964511.8217YesYesNoYes95
118R2.3x43 R2.7x521 gabab_on013.015NoNoNoNo88
119R2.3x43 R2.6x37 gabab_on011.8368NoNoNoNo88

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
R1.NTR1.NTShared2796.883225.081111
R1.LigR1.NTShared76.6586.040001
R1.NTR2.NTShared109.777271.391112
R1.E2R1.NTShared73.9494.891121
R1.E1R1.NTShared37.393336.161121
R1.1x36R1.NTShared5.533334.681121
R1.E3R1.NTShared6.6716.011121
R1.1x36R1.7x35gabab_off2.5033301122
R1.E1R1.E1Shared23.596715.071122
R1.E1R1.E2Shared11.39679.81122
R1.E2R1.E2Shared127.4771181122
R1.E2R1.E3Shared7.106673.991122
R1.E3R1.E3Shared7.3333311.091122
R2.NTR2.NTShared2650.033098.991122
R1.7x35R1.NTgabab_on015.831121
R1.1x34R1.NTgabab_on01.530121

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
gabab_off 7C7S-GABAB1, GABAB2-CGP54626
7CUM-GABAB1, GABAB2-CGP54626-Phospholipid
6W2X-GABAB1, GABAB2-PubChem 5311042-PubChem 23727970
gabab_on 7EB2-GABAB1, GABAB2-Baclofen-rac-BHFF-Gi1/&β;1/&γ;2
Network Difference
Value gabab_off gabab_on
Imin 2.13333 2.71
Number of Linked Nodes 438 414
Number of Specific Nodes 29 (6.62%) 5  (1.21%)
Number of Shared Nodes 409 (93.38%) 409  (98.79%)
Number of Links 511 492
Number of Specific Links 229 (44.81%) 210  (42.68%)
Number of Shared Links 282 (55.19%) 282  (57.32%)
Number of Hubs 65 64
Number of Specific Hubs 30 (46.15%) 29  (45.31%)
Number of Shared Hubs 35 (53.85%) 35  (54.69%)
Average % Shared Neighbours (Jaccard) 39.65
Average % Shared Neighbours (Otsuka) 49.45
Average % Shared Neighbours (Overlap Coefficient) 58.55
Average % Shared Cliques (k3-6) 77.65
Graphlets Similarity 0.660455
Paths Difference
Value gabab_off gabab_on
Number Of Nodes in MetaPath 67 78
Specific Nodes in MetaPath 34 (50.75%) 45  (57.69%)
Shared Nodes in MetaPath 409 (93.38%) 409  (93.38%)
Number Of Links MetaPath 62 79
Specific Links in MetaPath 40 (64.52%) 57  (72.15%)
Shared Links in MetaPath 282 (55.19%) 282  (55.19%)
Number of Shortest Paths 182706 280650
Length Of Smallest Path 3 3
Average Path Length 18.0657 23.8157
Length of Longest Path 42 55
Minimum Path Strength 0.46 1.3
Average Path Strength 9.0081 16.545
Maximum Path Strength 69.2 143.7
Minimum Path Correlation 0.7 0.73
Average Path Correlation 0.982016 0.984236
Maximum Path Correlation 1 1
Minimum % Of Corr. Nodes 3.84615 5.55556
Average % Of Corr. Nodes 68.3465 66.8562
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 47.8762 42.5207
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).

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