Orange: nodes, hubs and links specific of d4_off_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of d4_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 d4_off_allo Avg Int. Strength d4_off Avg Int. Strength d4_off_allo Num Of Links d4_off Num Of Links ConSurf
12x65 d4_off_allo1.9751.59667436
22x66 d4_off_allo6.6556.395426
33x31 d4_off_allo4.66255.25333437
4I2x53 d4_off_allo3.83753.74333438
5E2.E188 d4_off_allo7.497513.125427
65x65 d4_off_allo6.3857.74667438
76x58 d4_off_allo5.22756.155424
81x46 Shared2.8252.825448
91x50 Shared7.33757.3375449
10I1x50 Shared6.51756.585448
112x40 Shared5.41755.72449
122x42 Shared6.391437.18833768
132x60 Shared11.23259.546458
14E1x50 Shared5.9945.504558
153x29 Shared3.3253.675447
163x37 Shared7.13257.1325448
173x50 Shared6.396.76549
183x51 Shared4.273.965448
194x42 Shared6.826.584558
204x50 Shared5.83254.985449
215x39 Shared5.681675.00286678
225x47 Shared11.967512.235449
235x58 Shared7.11757.4175449
246x31 Shared9.89759.885447
256x44 Shared9.60510.115449
266x48 Shared9.8259.99167669
276x51 Shared10.733310.8867668
286x52 Shared10.34810.412558
296x56 Shared5.72756.085447
30E3.V377 Shared5.75255.244455
317x42 Shared7.677.17333568
327x53 Shared8.4328.73549
338x50 Shared6.6857.302658
34Lig Shared8.165838.0891712120
351x60 d4_off7.923333.318358
368x53 d4_off6.374.4825348
   
Orange: nodes, hubs and links specific of d4_off_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of d4_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 d4_off_allo Recurrence d4_off Recurrence d4_off_allo Hub1? d4_off Hub1? d4_off_allo Hub2? d4_off Hub2? ConSurf1 ConSurf2
12x57 7x42 d4_off_allo1004.13637NoNoYesYes88
22x53 2x57 d4_off_allo99.91990.0727179NoNoNoNo88
32x53 7x46 d4_off_allo99.38680NoNoNoNo89
42x38 3x50 d4_off_allo27.08411.40303NoNoYesYes79
53x33 5x39 d4_off_allo10.42767.08358NoNoYesYes98
65x43 Lig d4_off_allo11.21217.43434NoNoYesYes90
73x50 6x34 d4_off_allo23.62020YesYesNoNo98
85x62 6x34 d4_off_allo22.25842.51519NoNoNoNo78
95x62 6x31 d4_off_allo19.41615.09026NoNoYesYes77
104x41 I2x53 d4_off_allo10.56020NoNoYesNo88
116x51 6x55 d4_off_allo10.7379.67576YesYesNoNo87
127x38 7x42 d4_off_allo16.77262.21576NoNoYesYes68
133x40 5x50 d4_off_allo11.54369.64582NoNoNoNo99
146x51 7x38 d4_off_allo16.42734.32886YesYesNoNo86
152x50 7x46 Shared98.367517.7218NoNoNoNo99
161x50 2x50 Shared97.928319.8991YesYesNoNo99
171x50 7x50 Shared97.085830.657YesYesNoNo99
181x53 7x50 Shared96.51437.0092NoNoNoNo99
191x53 7x53 Shared96.312439.1094NoNoYesYes99
207x53 8x50 Shared54.535723.967YesYesYesYes98
212x43 7x53 Shared41.135821.439NoNoYesYes89
222x40 2x43 Shared40.691122.41YesYesNoNo98
232x40 8x50 Shared43.326339.6741YesYesYesYes98
242x37 2x40 Shared83.898772.7821NoNoYesYes89
252x37 2x38 Shared82.727573.4836NoNoNoNo87
262x38 4x42 Shared55.549473.073NoNoYesYes78
272x42 4x42 Shared39.884579.4294YesYesYesYes88
282x42 3x46 Shared26.349443.6393YesYesNoNo89
292x42 4x46 Shared11.930398.7681YesYesNoNo88
303x36 Lig Shared11.264614.5949NoNoYesYes80
313x36 6x48 Shared10.601613.7565NoNoYesYes89
326x44 6x48 Shared22.913125.4213YesYesYesYes99
336x51 Lig Shared23.27532.6418YesYesYesYes80
346x48 6x51 Shared18.493516.1904YesYesYesYes98
356x52 Lig Shared20.076231.8205YesYesYesYes80
366x48 6x52 Shared11.093314.7489YesYesYesYes98
373x28 Lig Shared15.681514.796NoNoYesYes70
38E2x52 Lig Shared14.493713.4015NoNoYesYes70
393x33 Lig Shared12.015911.5622NoNoYesYes90
405x39 5x43 Shared10.623713.209YesYesNoNo89
413x40 6x44 Shared14.416312.8454NoNoYesYes99
423x46 5x58 Shared24.932342.6427NoNoYesYes99
433x47 5x58 Shared14.80337.531NoNoYesYes99
443x47 5x57 Shared13.39735.4265NoNoNoNo98
453x51 5x57 Shared10.45834.3614YesYesNoNo88
465x65 6x31 Shared12.079416.2247YesNoYesYes87
474x41 4x42 Shared13.626313.8207NoNoYesYes88
486x48 7x45 Shared11.455212.7085YesYesNoNo99
496x51 7x37 Shared10.919312.0968YesYesNoNo87
507x42 Lig Shared74.79712.5845YesYesYesYes80
511x39 7x39 d4_off8.5492512.8069NoNoNoNo78
522x60 7x39 d4_off9.2591613.9918YesYesNoNo88
532x60 Lig d4_off4.4141216.2503YesYesYesYes80
545x461 Lig d4_off5.140686.098NoNoYesYes80
553x37 5x461 d4_off4.5135692.9977YesYesNoNo88
563x37 4x53 d4_off0.94469998.9092YesYesNoNo88
573x38 4x53 d4_off0100NoNoNoNo88
583x38 4x50 d4_off1.508299.876NoNoYesYes89
592x45 4x50 d4_off4.4969998.1393NoNoYesYes99
602x45 4x46 d4_off8.9801799.1274NoNoNoNo98
611x46 7x46 d4_off8.2619715.536YesYesNoNo89
622x40 I1x50 d4_off1.0745310.219YesYesYesYes98
633x29 E2x52 d4_off9.0271310.0137YesYesNoNo77
643x51 5x61 d4_off1.508228.9075YesYesNoNo89
653x54 5x61 d4_off027.7825NoNoNoNo89
663x54 5x65 d4_off3.0633723.2141NoNoYesNo88
675x47 6x52 d4_off6.8863615.5231YesYesYesYes98
688x47 8x50 d4_off9.3254517.5764NoNoYesYes98

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
2x532x57Shared5.546.921022
2x537x42d4_off4.6901021
2x577x42Shared8.218.211021
2x593x28Shared8.35.540021
2x602x64Shared10.4912.831112
2x607x38d4_off3.8901112
2x607x39Shared13.0314.031112
2x607x42Shared11.3511.351111
2x60LigShared8.976.721110
2x647x39Shared9.818.721122
3x28E1x50Shared3.424.560012
3x28LigShared6.795.940010
3x29E2x52Shared5.655.650021
3x327x42Shared8.058.051111
3x32LigShared19.9823.311110
3x334x57Shared3.393.390012
3x335x39Shared3.796.310012
3x33LigShared11.8810.970010
3x366x48Shared7.847.840012
3x36LigShared4.874.870010
3x375x461Shared9.599.591121
E2x52LigShared5.946.790010
5x395x43Shared5.095.091021
5x435x461Shared4.894.891111
5x43LigShared6.456.451110
5x446x52Shared3.963.960021
5x461LigShared3.683.681110
5x476x52Shared25.7224.650021
6x486x51Shared11.0212.031121
6x486x52Shared6.016.011121
6x516x52Shared9.659.651111
6x516x55Shared22.6318.11112
6x517x37Shared3.933.931112
6x517x38Shared3.896.491112
6x51LigShared14.214.21110
6x52LigShared6.727.471110
7x387x42Shared4.994.991021
7x42LigShared5.755.751110
5x40E2x52Shared2.982.980021
2x63E1.G99Shared1.861.860012
2x63LigShared1.841.840010

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
d4_off_allo 5WIV-D4-Nemonapride-Na
d4_off 5WIU-D4-Nemonapride
Network Difference
Value d4_off_allo d4_off
Imin 3.53 3.28
Number of Linked Nodes 254 244
Number of Specific Nodes 13 (5.12%) 3  (1.23%)
Number of Shared Nodes 241 (94.88%) 241  (98.77%)
Number of Links 283 271
Number of Specific Links 41 (14.49%) 29  (10.70%)
Number of Shared Links 242 (85.51%) 242  (89.30%)
Number of Hubs 34 29
Number of Specific Hubs 7 (20.59%) 2  (6.90%)
Number of Shared Hubs 27 (79.41%) 27  (93.10%)
Average % Shared Neighbours (Jaccard) 76.75
Average % Shared Neighbours (Otsuka) 82.16
Average % Shared Neighbours (Overlap Coefficient) 88.39
Average % Shared Cliques (k3-6) 88.33
Graphlets Similarity 0.673943
Paths Difference
Value d4_off_allo d4_off
Number Of Nodes in MetaPath 46 53
Specific Nodes in MetaPath 9 (19.57%) 16  (30.19%)
Shared Nodes in MetaPath 241 (94.88%) 241  (94.88%)
Number Of Links MetaPath 50 54
Specific Links in MetaPath 14 (28.00%) 18  (33.33%)
Shared Links in MetaPath 242 (85.51%) 242  (85.51%)
Number of Shortest Paths 56586 44267
Length Of Smallest Path 3 3
Average Path Length 16.3166 15.2906
Length of Longest Path 31 33
Minimum Path Strength 1.19 1.285
Average Path Strength 6.94384 6.61175
Maximum Path Strength 18.5367 19.3333
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.93031 0.928287
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4 3.44828
Average % Of Corr. Nodes 47.378 49.5405
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 39.4057 38.7283
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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