Orange: nodes, hubs and links specific of 5ht2a_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of 5ht2a_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 5ht2a_off Avg Int. Strength 5ht2a_on Avg Int. Strength 5ht2a_off Num Of Links 5ht2a_on Num Of Links ConSurf
11x60 5ht2a_off33.33330426
2I1x50 5ht2a_off33.33330438
32x41 5ht2a_off00424
42x50 5ht2a_off50100439
53x25 5ht2a_off500439
63x34 5ht2a_off33.33330436
73x50 5ht2a_off500429
83x56 5ht2a_off00436
9I2x53 5ht2a_off33.33330427
104x39 5ht2a_off00424
114x50 5ht2a_off5050539
12E2.F222 5ht2a_off00522
13E2.K223 5ht2a_off00433
146x41 5ht2a_off83.33330538
156x44 5ht2a_off1000639
166x51 5ht2a_off10050637
177x34 5ht2a_off00533
187x37 5ht2a_off66.66670535
198x57 5ht2a_off83.33330524
202x42 Shared83.3333100458
212x57 Shared1000548
22E1x50 Shared10050757
233x28 Shared83.3333100445
243x35 Shared83.3333100647
253x51 Shared33.3333100458
265x39 Shared16.66670447
276x48 Shared100100578
286x52 Shared83.3333100457
297x39 Shared1000646
307x42 Shared100100667
317x53 Shared5050459
328x50 Shared100100768
33Lig Shared10010010100
341x50 5ht2a_on00349
352x53 5ht2a_on0100257
362x56 5ht2a_on33.33330348
373x30 5ht2a_on66.66670356
383x32 5ht2a_on16.666750348
393x37 5ht2a_on16.666750247
403x42 5ht2a_on100100358
415x47 5ht2a_on33.333350348
425x65 5ht2a_on00358
436x47 5ht2a_on050258
446x59 5ht2a_on00345
457x49 5ht2a_on16.66670349
467x54 5ht2a_on050257
   
Orange: nodes, hubs and links specific of 5ht2a_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of 5ht2a_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 5ht2a_off Recurrence 5ht2a_on Recurrence 5ht2a_off Hub1? 5ht2a_on Hub1? 5ht2a_off Hub2? 5ht2a_on Hub2? ConSurf1 ConSurf2
16x48 7x42 5ht2a_off24.30490YesYesYesYes87
23x39 6x44 5ht2a_off89.63050NoNoYesNo99
32x50 3x39 5ht2a_off87.63090YesNoNoNo99
42x50 7x49 5ht2a_off78.1280YesNoNoYes99
57x53 8x50 5ht2a_off74.07640YesYesYesYes98
61x57 2x44 5ht2a_off12.84522.25809NoNoNoNo75
78x50 8x54 5ht2a_off17.24430YesYesNoNo86
81x60 I1x50 5ht2a_off36.26453.96185YesNoYesNo68
91x60 CT.E401 5ht2a_off19.10110YesNoNoNo64
10CT.E401 I1x48 5ht2a_off17.77280NoNoNoNo46
11I1x48 I1x51 5ht2a_off16.23022.01353NoNoNoNo67
123x43 6x44 5ht2a_off67.04910NoNoYesNo89
133x43 6x41 5ht2a_off65.85410NoNoYesNo88
146x37 6x41 5ht2a_off47.03390NoNoYesNo88
153x35 4x50 5ht2a_off41.63020YesYesYesNo79
162x45 4x50 5ht2a_off15.33990NoNoYesNo99
172x45 4x46 5ht2a_off13.15942.59232NoNoNoNo98
182x42 4x46 5ht2a_off10.90272.64123YesYesNoNo88
193x28 E1x50 5ht2a_off34.13160YesYesYesYes57
203x33 Lig 5ht2a_off53.29942.60047NoNoYesYes60
213x33 4x61 5ht2a_off24.49530NoNoNoNo66
223x29 4x61 5ht2a_off23.27650NoNoNoNo56
233x34 3x35 5ht2a_off25.83798.81226YesNoYesYes67
243x33 4x57 5ht2a_off32.46050NoNoNoNo67
253x34 4x57 5ht2a_off31.2942.62493YesNoNoNo67
263x40 6x44 5ht2a_off11.35970NoNoYesNo89
273x50 6x30 5ht2a_off42.10150YesNoNoNo98
283x54 5x65 5ht2a_off27.53762.55971NoNoNoYes98
293x54 5x64 5ht2a_off18.93920NoNoNoNo96
303x55 5x64 5ht2a_off17.39194.01891NoNoNoNo66
316x30 I2x53 5ht2a_off10.62180NoNoYesNo87
325x39 E2x52 5ht2a_off20.53890YesYesNoNo74
336x48 6x51 5ht2a_off22.10530YesYesYesNo87
346x51 6x55 5ht2a_off14.41630YesNoNoNo77
355x40 6x55 5ht2a_off13.25463.18741NoNoNoNo67
366x38 6x41 5ht2a_off12.4310NoNoYesNo68
375x58 6x38 5ht2a_off10.84082.63308NoNoNoNo96
387x54 8x54 5ht2a_off12.75475.93462NoYesNoNo76
397x54 8x51 5ht2a_off11.16450NoYesNoNo79
406x44 7x45 5ht2a_off18.98210YesNoNoNo99
416x47 7x48 5ht2a_off15.87790NoYesNoNo86
426x43 7x48 5ht2a_off14.31160NoNoNoNo66
437x30 7x34 5ht2a_off11.44540NoNoYesNo43
441x28 2x66 5ht2a_off11.02650NoNoNoNo34
452x57 7x42 5ht2a_off15.15430YesYesYesYes87
466x44 Lig 5ht2a_off1000YesNoYesYes90
477x39 7x42 Shared25.623733.0806YesYesYesYes67
486x44 6x48 Shared34.664861.0581YesNoYesYes98
497x49 7x53 Shared75.885585.2939NoYesYesYes99
501x57 8x50 Shared14.211610.9888NoNoYesYes78
518x50 I1x50 Shared39.854326.6569YesYesYesNo88
523x50 6x37 Shared45.634242.2842YesNoNoNo98
533x32 7x42 Shared13.026112.1953NoYesYesYes87
542x56 3x32 Shared64.135422.6624NoYesNoYes88
552x53 2x56 Shared31.408340.9065NoYesNoYes78
562x53 3x35 Shared30.365653.9904NoYesYesYes77
572x56 3x28 Shared42.306271.7616NoYesYesYes85
58E1x50 E1x51 Shared16.268314.5675YesYesNoNo73
592x66 E1x51 Shared13.678310.9481NoNoNoNo43
603x32 Lig Shared60.902787.0873NoYesYesYes80
613x29 E2x52 Shared21.767323.4369NoNoNoNo54
623x38 4x50 Shared18.163236.5126NoNoYesNo89
633x38 4x53 Shared15.925538.8767NoNoNoNo88
643x37 4x53 Shared13.678341.2244NoYesNoNo78
653x37 5x461 Shared11.421665.9738NoYesNoNo76
665x65 6x30 Shared31.51315.8637NoYesNoNo88
673x51 3x55 Shared15.835121.0483YesYesNoNo86
685x40 6x59 Shared11.431214.054NoNoNoYes65
696x51 7x34 Shared43.258440.4092YesNoYesNo73
706x54 7x34 Shared29.256335.2898NoNoYesNo53
716x54 7x37 Shared27.07132.4366NoNoYesNo55
726x50 7x37 Shared11.445417.9343NoNoYesNo95
736x47 7x45 Shared17.434819.7848NoYesNoNo89
746x51 Lig Shared33.926935.3387YesNoYesYes70
751x39 7x39 5ht2a_on9.8743112.5622NoNoYesYes66
762x53 3x32 5ht2a_on076.7995NoYesNoYes78
772x53 2x54 5ht2a_on018.5131NoYesNoNo76
782x54 2x57 5ht2a_on1.9948616.255NoNoYesYes68
792x56 7x42 5ht2a_on035.2735NoYesYesYes87
802x53 7x46 5ht2a_on0100NoYesNoNo79
812x50 7x46 5ht2a_on1.6473199.3071YesNoNoNo99
821x50 2x50 5ht2a_on8.6412117.062NoYesYesNo99
831x50 2x51 5ht2a_on016.6544NoYesNoNo97
842x50 7x50 5ht2a_on081.5603YesNoNoNo99
851x51 2x51 5ht2a_on1.6520710.1247NoNoNoNo37
867x49 7x50 5ht2a_on088.7666NoYesNoNo99
877x53 7x54 5ht2a_on066.7074YesYesNoYes97
887x54 8x50 5ht2a_on056.1017NoYesYesYes78
898x49 I1x50 5ht2a_on3.3945921.0973NoNoYesNo68
907x42 Lig 5ht2a_on058.7593YesYesYesYes70
915x461 Lig 5ht2a_on068.1259NoNoYesYes60
923x42 4x50 5ht2a_on4.5277131.7356NoYesYesNo89
932x42 3x42 5ht2a_on019.4343YesYesNoYes88
943x31 3x35 5ht2a_on4.5943641.2896NoNoYesYes57
952x60 3x28 5ht2a_on026.0129NoNoYesYes75
963x28 3x29 5ht2a_on090.1687YesYesNoNo55
973x29 E2x50 5ht2a_on065.4928NoNoNoNo59
98E1x50 E2x50 5ht2a_on0.10950330.7655YesYesNoNo79
992x64 7x39 5ht2a_on9.0268521.3418NoNoYesYes56
1002x64 7x35 5ht2a_on018.9859NoNoNoNo54
1017x35 E1.Y139 5ht2a_on1.6949216.6707NoNoNoNo43
1023x25 E2x50 5ht2a_on5.1275931.76YesNoNoNo99
1033x25 E2.V221 5ht2a_on7.9937228.8661YesNoNoNo93
1043x26 E2.V221 5ht2a_on2.6709221.7576NoNoNoNo63
1053x26 4x66 5ht2a_on018.1707NoNoNoNo65
1063x23 4x66 5ht2a_on1.4044914.5675NoNoNoNo15
1073x23 E2.D218 5ht2a_on2.8042310.9481NoNoNoNo13
1083x30 3x31 5ht2a_on037.1403NoYesNoNo65
1093x30 4x62 5ht2a_on1.7472929.1351NoYesNoNo65
1103x37 3x41 5ht2a_on022.8825NoYesNoNo76
1116x48 Lig 5ht2a_on5.6989177.6392YesYesYesYes80
1123x40 6x48 5ht2a_on012.0567NoNoYesYes88
1135x54 6x44 5ht2a_on058.0664NoNoYesNo89
1145x54 6x41 5ht2a_on1.6473156.7865NoNoYesNo88
1155x58 6x41 5ht2a_on054.3572NoNoYesNo98
1165x58 5x62 5ht2a_on8.1603552.0991NoNoNoNo95
1175x62 6x37 5ht2a_on041.7625NoNoNoNo58
1185x61 6x37 5ht2a_on044.6075NoNoNoNo98
1193x51 5x61 5ht2a_on1.6473142.7488YesYesNoNo89
1203x51 5x60 5ht2a_on4.9228710.9155YesYesNoNo85
1215x62 6x34 5ht2a_on029.4041NoNoNoNo57
1225x65 6x34 5ht2a_on024.0401NoYesNoNo87
1233x55 3x56 5ht2a_on015.1708NoNoYesNo66
1243x56 I2x52 5ht2a_on010.9155YesNoNoNo65
1253x41 4x52 5ht2a_on4.9228720.4043NoNoNoNo65
1264x51 4x52 5ht2a_on3.2898517.9098NoNoNoNo45
1274x47 4x51 5ht2a_on1.6473115.399NoNoNoNo24
1284x43 4x47 5ht2a_on012.8719NoNoNoNo42
1294x40 4x43 5ht2a_on010.3285NoNoNoNo54
1304x61 4x62 5ht2a_on026.9585NoNoNoNo65
1314x61 5x39 5ht2a_on024.7575NoNoYesYes67
132E1.Y139 E2.S226 5ht2a_on011.0214NoNoNoNo34
1335x40 E2x52 5ht2a_on020.3147NoNoNoNo64
1346x52 Lig 5ht2a_on7.898515.2768YesYesYesYes70
1355x47 6x52 5ht2a_on0.45705610.1981NoYesYesYes87
1365x47 5x48 5ht2a_on3.7469114.7713NoYesNoNo85
1375x47 6x48 5ht2a_on014.054NoYesYesYes88
1386x40 7x53 5ht2a_on020.7141NoNoYesYes89
1396x36 6x40 5ht2a_on016.524NoNoNoNo88
1406x36 7x56 5ht2a_on1.6425414.2007NoNoNoNo87
1416x32 7x56 5ht2a_on011.8855NoNoNoNo87
1426x48 7x45 5ht2a_on022.695YesYesNoNo89
1436x49 6x50 5ht2a_on9.1744414.9833NoNoNoNo69
1447x33 7x37 5ht2a_on9.1744412.0078NoNoYesNo45
1458x49 8x52 5ht2a_on018.8392NoNoNoNo64
1462x40 8x50 5ht2a_on2.8089915.3664NoNoYesYes98
1472x39 2x40 5ht2a_on013.4263NoNoNoNo89
1482x37 2x39 5ht2a_on011.0948NoNoNoNo78
1496x49 6x53 5ht2a_on2.3043212.016NoNoNoNo66
1503x50 7x53 5ht2a_on042.651YesNoYesYes99
1512x60 7x42 5ht2a_on1.6853924.4314NoNoYesYes77

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
2x532x56Shared5.463335.960122
2x563x32Shared8.763337.30121
2x577x395ht2a_off5.0416701022
2x577x425ht2a_off10.976701021
2x607x39Shared6.7953.7051122
2x607x42Shared4.8752.5451121
3x327x42Shared9.003337.470111
3x32LigShared14.951712.240110
3x334x575ht2a_off4.0416700012
3x334x615ht2a_off4.6100012
3x33LigShared4.7055.3750010
3x36LigShared11.0513.7950010
3x375x461Shared6.1340021
3x396x445ht2a_off9.5283300021
3x406x445ht2a_off6.4900021
3x436x445ht2a_off4.8700321
E2.K223E2x51Shared5.647.050621
5x446x52Shared5.501673.9650021
5x475x48Shared4.643334.8251112
5x476x52Shared18.218315.541111
5x516x455ht2a_off4.2566700022
6x446x48Shared9.186675.511011
6x447x455ht2a_off5.7516701012
6x44Lig5ht2a_off4.1633301010
6x486x515ht2a_off7.3516701111
6x487x41Shared12.672.8151111
6x487x425ht2a_off3.5366701111
6x48LigShared18.55334.3051110
6x516x52Shared5.188.5751111
6x516x555ht2a_off6.64501112
6x517x34Shared4.061672.441112
6x517x385ht2a_off4.8033301111
6x51LigShared10.311712.7051110
6x52LigShared17.41518.461110
6x557x345ht2a_off6.4083301022
7x387x42Shared8.203335.681111
7x38LigShared4.691672.941110
7x397x42Shared15.11338.6851121
5x47Lig5ht2a_off6.4933301110
E2x51Lig5ht2a_off4.75500610
E2.S226E2x51Shared3.001675.2550621
4x565x4615ht2a_off2.5816700021
5x435x4615ht2a_off1.8566700021
2x533x325ht2a_on02.7150121
3x406x485ht2a_on05.2850021
5x461Lig5ht2a_on04.4450010
5x475x515ht2a_on03.0451112
5x476x485ht2a_on03.511111
5x546x445ht2a_on06.840021
6x486x525ht2a_on03.011111
6x487x455ht2a_on04.3251112
7x42Lig5ht2a_on04.5851110
2x567x425ht2a_on02.5250121
E2.K223E2.S2265ht2a_on05.3550622
7x41Lig5ht2a_on04.8450110
3x374x565ht2a_on02.280022
6x446x455ht2a_on01.311012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
5ht2a_off 6A94-5-HT2A-Zotepine
6WH4-5-HT2A-Methiothepin
7VOE-5-HT2A-Aripiprazole
7VOD-5-HT2A-Cariprazine
7WC8-5-HT2A-Lumateperone
6A93-5-HT2A-Risperidone
5ht2a_on 7RAN-5-HT2A-PubChem 164575847-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
6WHA-5-HT2A-DB13948-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
Network Difference
Value 5ht2a_off 5ht2a_on
Imin 3.50833 2.455
Number of Linked Nodes 285 257
Number of Specific Nodes 30 (10.53%) 2  (0.78%)
Number of Shared Nodes 255 (89.47%) 255  (99.22%)
Number of Links 305 279
Number of Specific Links 148 (48.52%) 122  (43.73%)
Number of Shared Links 157 (51.48%) 157  (56.27%)
Number of Hubs 33 27
Number of Specific Hubs 19 (57.58%) 13  (48.15%)
Number of Shared Hubs 14 (42.42%) 14  (51.85%)
Average % Shared Neighbours (Jaccard) 40.07
Average % Shared Neighbours (Otsuka) 48.80
Average % Shared Neighbours (Overlap Coefficient) 57.83
Average % Shared Cliques (k3-6) 77.50
Graphlets Similarity 0.551185
Paths Difference
Value 5ht2a_off 5ht2a_on
Number Of Nodes in MetaPath 72 100
Specific Nodes in MetaPath 23 (31.94%) 51  (51.00%)
Shared Nodes in MetaPath 255 (89.47%) 255  (89.47%)
Number Of Links MetaPath 74 105
Specific Links in MetaPath 46 (62.16%) 77  (73.33%)
Shared Links in MetaPath 157 (51.48%) 157  (51.48%)
Number of Shortest Paths 53362 41428
Length Of Smallest Path 3 3
Average Path Length 12.9023 13.1141
Length of Longest Path 28 28
Minimum Path Strength 0.375 0.615
Average Path Strength 6.09278 4.76679
Maximum Path Strength 17.9842 17
Minimum Path Correlation 0.701667 0.7
Average Path Correlation 0.915578 0.917388
Maximum Path Correlation 0.99 0.985
Minimum % Of Corr. Nodes 4 4.34783
Average % Of Corr. Nodes 46.7668 44.2317
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 41.1241 37.5399
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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