Orange: nodes, hubs and links specific of amine_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of amine_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 amine_off Avg Int. Strength amine_on Avg Int. Strength amine_off Num Of Links amine_on Num Of Links ConSurf
11x35 amine_off00424
22x60 amine_off22.666719.7917436
33x50 amine_off280639
4I2x56 amine_off00535
55x36 amine_off00435
66x31 amine_off00525
76x55 amine_off6.666670426
87x34 amine_off202.77778414
97x38 amine_off2119.7917436
107x45 amine_off37.66670539
11I3 amine_off00420
12NT amine_off8.888890610
131x60 Shared04.54545466
142x42 Shared35.33338.33333548
152x50 Shared35.111171.6835459
162x57 Shared45.666717.4242557
17E1x50 Shared82.575.6965577
183x37 Shared21.66679.375446
193x49 Shared25.11910.4167449
203x51 Shared1625.6944448
21I2x53 Shared27.333323.0556457
22E2 Shared10095.555515153
235x39 Shared6.6666712.037447
245x58 Shared063.5101459
256x44 Shared71.96353.0324459
266x48 Shared94.2857100788
276x51 Shared79.285775.5555657
286x52 Shared47.526562.0833557
29E3 Shared52.599230.6503674
307x39 Shared55.333312.5546
317x42 Shared97.599.6528777
327x49 Shared031.3847449
337x53 Shared3069.8737459
348x50 Shared47.777852.42568
35Lig Shared10010014110
361x31 amine_on00253
371x50 amine_on17.77784.54545349
382x46 amine_on019.9537149
39E1x52 amine_on8.571430245
403x46 amine_on00149
414x38 amine_on00348
425x47 amine_on2071.9381367
435x62 amine_on00256
446x41 amine_on00348
456x49 amine_on00247
467x30 amine_on00245
478x54 amine_on50347
   
Orange: nodes, hubs and links specific of amine_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of amine_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 amine_off Recurrence amine_on Recurrence amine_off Hub1? amine_on Hub1? amine_off Hub2? amine_on Hub2? ConSurf1 ConSurf2
12x56 7x42 amine_off10.53870.957318NoNoYesYes77
22x53 2x56 amine_off13.50280NoNoNoNo87
37x49 7x53 amine_off45.35980YesYesYesYes99
47x53 8x50 amine_off38.49780YesYesYesYes98
53x37 4x53 amine_off1001.27895YesYesNoNo68
63x38 4x53 amine_off99.27250NoNoNoNo78
73x38 4x50 amine_off98.53521.5249NoNoNoNo79
82x45 4x50 amine_off97.03114.55956NoNoNoNo99
92x45 4x46 amine_off93.90481.5249NoNoNoNo97
102x42 4x46 amine_off93.09870YesYesNoNo87
113x49 I2x57 amine_off11.1635.5585YesYesNoNo96
122x38 I2x57 amine_off12.48534.5028NoNoNoNo66
132x38 4x39 amine_off11.39893.01574NoNoNoNo63
143x49 3x50 amine_off13.14880YesYesYesNo99
153x37 3x41 amine_off10.91725.08173YesYesNoNo66
163x49 I2x53 amine_off69.3625.58499YesYesYesYes97
173x52 I2x53 amine_off70.01571.50976NoNoYesYes57
183x48 3x52 amine_off68.95890NoNoNoNo65
193x48 5x57 amine_off67.85782.19086NoNoNoNo66
206x52 Lig amine_off11.75786.95853YesYesYesYes70
215x47 6x52 amine_off15.18889.19479NoYesYesYes77
225x54 6x41 amine_off27.9640NoNoNoYes88
235x58 6x41 amine_off23.57457.9045YesYesNoYes98
245x58 5x62 amine_off16.22590YesYesNoYes96
256x40 7x49 amine_off10.79930NoNoYesYes89
262x60 7x38 amine_off16.82560YesNoYesNo66
276x51 7x38 amine_off10.65181.38489YesYesYesNo76
286x51 Lig amine_off15.88186.81474YesYesYesYes70
296x51 7x34 amine_off29.26661.7822YesYesYesNo74
306x54 7x34 amine_off31.77840NoNoYesNo44
316x54 7x37 amine_off29.1881.69517NoNoNoNo45
326x50 7x37 amine_off13.41433.38656NoNoNoNo95
336x55 Lig amine_off17.63170YesNoYesYes60
346x55 7x34 amine_off15.70980YesNoYesNo64
357x34 E3 amine_off11.99860YesNoYesYes44
367x33 7x37 amine_off13.47330NoNoNoNo45
371x60 8x56 amine_off11.63496.67852YesYesNoNo64
388x52 8x56 amine_off10.57310NoNoNoNo44
396x48 6x51 amine_off10.49940YesYesYesYes87
407x38 Lig amine_off11.05980.961102YesNoYesYes60
411x39 7x39 Shared25.039313.3873NoNoYesYes66
427x39 7x42 Shared27.339817.5004YesYesYesYes67
431x50 2x50 Shared21.0087100NoYesYesYes99
447x42 Lig Shared52.846148.5129YesYesYesYes70
456x48 Lig Shared56.645782.5904YesYesYesYes80
466x48 7x45 Shared65.159361.5938YesYesYesNo89
477x45 7x49 Shared65.960561.2835YesNoYesYes99
488x50 I1x50 Shared19.897822.2605YesYesNoNo88
491x60 I1x50 Shared17.528520.9815YesYesNoNo68
505x461 Lig Shared98.078111.9759NoNoYesYes60
513x37 5x461 Shared97.758610.9127YesYesNoNo66
522x42 3x49 Shared88.861614.0571YesYesYesYes89
531x50 2x51 Shared12.868718.4918NoYesNoNo97
541x47 2x51 Shared10.076713.9133NoNoNoNo67
552x60 3x28 Shared26.612318.6242YesNoNoNo66
563x28 E1x50 Shared19.057216.5733NoNoYesYes67
57E2x52 Lig Shared23.151833.7937NoNoYesYes40
58E2 E2x52 Shared21.111932.3748YesYesNoNo34
593x47 5x57 Shared33.60755.9369NoNoNoNo86
603x47 5x54 Shared32.21152.0546NoNoNoNo88
613x51 5x57 Shared39.328551.9638YesYesNoNo86
623x51 3x55 Shared24.174229.2606YesYesNoNo87
633x55 3x56 Shared22.699627.1719NoNoNoNo76
643x56 I2x52 Shared18.216722.9718NoNoNoNo65
655x62 5x66 Shared14.702129.6012NoYesNoNo65
661x35 1x39 Shared20.708811.2911YesNoNoNo46
671x35 2x65 Shared10.897610.0537YesNoNoNo45
683x51 5x61 Shared10.735415.389YesYesNoNo89
69I2x52 I2x56 Shared16.678118.7415NoNoYesNo55
704x41 I2x56 Shared10.99114.4619NoNoYesNo75
712x57 7x42 Shared17.390913.2322YesYesYesYes77
722x60 7x42 Shared12.160821.5302YesNoYesYes67
732x50 7x49 Shared20.571273.9519YesYesYesYes99
741x50 2x47 amine_on073.8308NoYesNoNo98
751x53 2x47 amine_on4.6844371.7648NoNoNoNo98
761x53 7x54 amine_on069.6912NoNoNoNo96
777x54 8x50 amine_on067.6101NoNoYesYes68
788x50 8x54 amine_on9.4868315.2944YesYesNoYes87
791x57 8x50 amine_on011.5975NoNoYesYes78
803x43 7x49 amine_on054.8093NoNoYesYes89
813x43 7x53 amine_on095.8945NoNoYesYes89
823x46 7x53 amine_on020.0166NoYesYesYes99
832x42 3x46 amine_on1.2288623.9784YesYesNoYes89
842x46 3x42 amine_on1.6270210.5381NoYesNoNo98
856x44 6x48 amine_on4.6844343.3593YesYesYesYes98
865x54 6x44 amine_on052.4898NoNoYesYes89
873x47 5x58 amine_on063.1262NoNoYesYes89
883x50 5x58 amine_on041.7663YesNoYesYes99
893x54 5x61 amine_on9.1574913.2435NoNoNoNo99
906x51 6x55 amine_on0.86020411.5408YesYesYesNo76
915x40 6x59 amine_on010.1786NoNoNoNo65
925x47 6x48 amine_on010.2354NoYesYesYes78
935x47 6x49 amine_on015.0144NoYesNoYes77
945x58 6x37 amine_on064.5225YesYesNoNo98
955x58 6x40 amine_on037.7895YesYesNoNo98
966x40 7x53 amine_on038.6106NoNoYesYes89
975x62 6x37 amine_on062.7592NoYesNoNo68
985x62 6x34 amine_on025.0908NoYesNoNo67
99E2 E3 amine_on013.4819YesYesYesYes34
1007x52 7x53 amine_on010.1597NoNoYesYes89
1018x47 8x50 amine_on3.052513.9133NoNoYesYes88
1021x47 2x55 amine_on8.6659511.6127NoNoNoNo65
1034x38 4x41 amine_on9.8702312.797NoYesNoNo87
1043x54 5x64 amine_on7.569811.0792NoNoNoNo96
1055x66 6x30 amine_on023.2178NoNoNoNo57
1065x68 6x30 amine_on020.1907NoNoNoNo77
1076x31 6x34 amine_on023.2329YesNoNoNo57
1083x50 7x53 amine_on035.1143YesNoYesYes99
1096x27 6x31 amine_on021.2956NoNoYesNo05
1105x68 5x72 amine_on018.2534NoNoNoNo70
1116x26 6x27 amine_on018.2534NoNoNoNo00
1125x72 5x76 amine_on016.7323NoNoNoNo00
1135x76 I3 amine_on1.145315.2111NoNoYesNo00
1145x73 I3 amine_on013.69NoNoYesNo00
1155x73 5x77 amine_on012.1689NoNoNoNo00
1162x46 2x50 amine_on037.6911NoYesYesYes99
1172x46 3x43 amine_on041.5658NoYesNoNo98

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
2x563x32Shared8.075738.692291121
2x567x42Shared5.233724.320381121
2x577x39Shared3.990133.521521122
2x577x42Shared5.647766.518641121
2x607x39amine_off5.3695601022
3x29E2x52Shared3.627873.139530021
3x327x42Shared8.281459.453271111
3x32LigShared13.860411.60741110
3x334x57Shared7.165487.535151012
3x33LigShared12.695112.75641010
3x366x48Shared5.342284.563371111
3x36LigShared7.132218.377141110
3x374x57amine_off4.1331500022
3x375x461Shared5.967455.302770021
3x406x44Shared6.224753.576950122
E2E2Shared43.301749.86821122
E2E2x52Shared8.02747.066911121
5x39E2Shared6.893835.948611122
E2x52LigShared4.716093.693911110
5x395x43Shared4.919025.157931121
5x43LigShared4.808173.679211010
5x461LigShared4.362263.594161010
5x476x52Shared26.828218.52850121
6x446x48Shared10.66335.365381121
6x447x45amine_off6.8211501122
6x486x51amine_off5.2407301111
6x486x52Shared3.923024.872571111
6x487x41Shared11.68688.573161112
6x487x45Shared4.022689.573971112
6x48LigShared8.960774.382221110
6x516x52Shared6.089885.56821111
6x516x55Shared7.526255.091931111
6x517x34Shared5.077593.121751112
6x517x38Shared6.511155.898871111
6x51LigShared12.381812.07281110
6x52LigShared10.80175.938351110
6x557x34amine_off3.7414801012
6x55Ligamine_off4.6896501010
7x387x42Shared6.633636.444661111
7x38LigShared9.054797.492161110
7x397x42Shared6.525927.221681121
7x42LigShared4.608575.413411110
5x406x55Shared4.717043.928940121
2x607x42Shared4.601535.501121021
2x607x38amine_off4.4202301021
5x446x52Shared2.966113.818530021
3x334x61amine_off2.543801012
3x406x48amine_on08.888880121
5x40E2amine_on03.417910122
5x476x44amine_on04.420170122
5x476x48amine_on03.514650121
4x61E2amine_on03.276310122

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
amine_off adrenergic_off
histamine_off
muscarinic_off
5ht_off
dopamine_off
amine_on adrenergic_on
histamine_on
muscarinic_on
tar_on
5ht_on
dopamine_on
Network Difference
Value amine_off amine_on
Imin 3.50375 3.40806
Number of Linked Nodes 292 314
Number of Specific Nodes 2 (0.68%) 24  (7.64%)
Number of Shared Nodes 290 (99.32%) 290  (92.36%)
Number of Links 317 338
Number of Specific Links 116 (36.59%) 137  (40.53%)
Number of Shared Links 201 (63.41%) 201  (59.47%)
Number of Hubs 35 35
Number of Specific Hubs 12 (34.29%) 12  (34.29%)
Number of Shared Hubs 23 (65.71%) 23  (65.71%)
Average % Shared Neighbours (Jaccard) 48.06
Average % Shared Neighbours (Otsuka) 55.56
Average % Shared Neighbours (Overlap Coefficient) 63.67
Average % Shared Cliques (k3-6) 60.58
Graphlets Similarity 0.602626
Paths Difference
Value amine_off amine_on
Number Of Nodes in MetaPath 70 77
Specific Nodes in MetaPath 24 (34.29%) 31  (40.26%)
Shared Nodes in MetaPath 290 (99.32%) 290  (99.32%)
Number Of Links MetaPath 73 77
Specific Links in MetaPath 40 (54.79%) 44  (57.14%)
Shared Links in MetaPath 201 (63.41%) 201  (63.41%)
Number of Shortest Paths 48071 67721
Length Of Smallest Path 3 3
Average Path Length 14.6277 13.6887
Length of Longest Path 39 31
Minimum Path Strength 0.395675 0.240517
Average Path Strength 5.0463 4.64367
Maximum Path Strength 18.815 12.4444
Minimum Path Correlation 0.702272 0.700123
Average Path Correlation 0.896728 0.895776
Maximum Path Correlation 0.985717 0.985999
Minimum % Of Corr. Nodes 2.85714 3.7037
Average % Of Corr. Nodes 37.3256 37.8313
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 41.5572 41.7714
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 amine_off_on.zip<



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