Orange: nodes, hubs and links specific of ot_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ot_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 ot_off Avg Int. Strength ot_on Avg Int. Strength ot_off Num Of Links ot_on Num Of Links ConSurf
11x57 ot_off2.75750407
2I1x51 ot_off7.628330607
32x38 ot_off6.79256.39333437
42x39 ot_off5.3722.43518
52x41 ot_off6.476.34333435
63x29 ot_off8.6466.78524
73x33 ot_off8.86258.245425
83x44 ot_off4.94510.43417
93x46 ot_off4.4957.945428
103x49 ot_off8.9758.95429
113x50 ot_off7.6153.785629
123x54 ot_off4.7142.94518
134x50 ot_off4.40754.01333439
144x64 ot_off7.5353.245425
154x65 ot_off8.4089.43526
16E2.L177 ot_off5.087513.9424
17E2.F191 ot_off9.66510.43436
185x34 ot_off5.486.59333432
195x39 ot_off7.0149.02667537
205x61 ot_off5.3053.925428
216x41 ot_off6.061.62428
227x34 ot_off3.19756.565424
237x56 ot_off7.7655.92437
242x42 Shared5.9357.7275648
252x50 Shared4.67257.5325449
262x56 Shared12.892512.5925447
27E1x50 Shared5.83754.9447
283x37 Shared6.4426.92546
294x61 Shared7.579.7375546
305x58 Shared8.39256.76167469
316x40 Shared5.146.34448
326x48 Shared8.152868.06167768
336x51 Shared8.146.715547
346x52 Shared8.2127.495547
357x53 Shared7.57755.9475449
36Lig Shared10.88810.682410170
372x45 ot_on9.056676.8175349
382x60 ot_on5.969.14247
393x30 ot_on5.676676.2275347
403x32 ot_on11.99337.49167367
415x47 ot_on10.043.8075248
425x57 ot_on6.023.458256
   
Orange: nodes, hubs and links specific of ot_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ot_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 ot_off Recurrence ot_on Recurrence ot_off Hub1? ot_on Hub1? ot_off Hub2? ot_on Hub2? ConSurf1 ConSurf2
11x35 1x39 ot_off20.41480NoNoNoNo56
21x35 7x35 ot_off14.70450.0509476NoNoNoNo54
37x35 7x39 ot_off13.26960NoNoNoNo45
41x38 7x39 ot_off11.81660NoNoNoNo45
51x39 7x38 ot_off26.00890NoNoNoNo66
62x60 7x38 ot_off27.21130NoYesNoNo76
72x56 2x60 ot_off28.59890YesYesNoYes77
86x48 Lig ot_off88.58660YesYesYesYes80
97x45 7x49 ot_off96.8470NoNoNoNo99
106x40 7x49 ot_off39.15140YesYesNoNo89
111x53 7x53 ot_off14.74810NoNoYesYes99
122x50 7x49 ot_off58.69080YesYesNoNo99
132x46 3x46 ot_off59.31560NoNoYesNo98
142x39 3x46 ot_off21.38840YesNoYesNo88
152x39 3x50 ot_off34.77421.69146YesNoYesNo89
163x50 I1x51 ot_off17.64680YesNoYesNo97
172x43 7x53 ot_off22.44181.74241NoNoYesYes79
182x39 2x43 ot_off21.94780YesNoNoNo87
193x46 6x37 ot_off20.22960YesNoNoNo88
203x50 6x37 ot_off29.20190YesNoNoNo98
21I1x51 I2.L148 ot_off14.23590YesNoNoNo75
222x41 2x42 ot_off10.81777.31608YesNoYesYes58
233x34 4x57 ot_off12.49232.04809NoNoNoNo67
243x29 E2x50 ot_off62.71930YesNoNoNo49
25E1x50 E2x50 ot_off32.75090YesYesNoNo79
26E1x50 E2.L177 ot_off27.98870YesYesYesNo74
273x22 E2.L177 ot_off42.77316.10353NoNoYesNo44
283x22 E2.S176 ot_off32.25330NoNoNoNo45
29E2.R178 E2.S176 ot_off29.60510NoNoNoNo35
30E2.R178 E2x51 ot_off24.28716.04239NoNoNoNo33
31E2.D186 E2x51 ot_off21.61720NoNoNoNo43
32E2.D186 E2.V180 ot_off18.940NoNoNoNo43
33E2.A181 E2.V180 ot_off16.25560NoNoNoNo33
34E2.A181 E2.V184 ot_off13.56390NoNoNoNo33
35E1x49 E2.V184 ot_off10.86492.01753NoNoNoNo53
363x29 Lig ot_off52.94780YesNoYesYes40
373x25 E2x50 ot_off29.00582.01753NoNoNoNo99
383x25 E2.L177 ot_off27.76350NoNoYesNo94
393x33 3x37 ot_off21.89690YesNoYesYes56
404x61 5x39 ot_off16.27740.774404YesYesYesNo67
413x37 3x41 ot_off22.4894.04524YesYesNoNo66
423x41 3x44 ot_off20.75270NoNoYesNo67
433x44 5x54 ot_off21.91510YesNoNoNo78
445x58 6x41 ot_off12.79740YesYesYesNo98
453x50 6x34 ot_off44.40050YesNoNoNo97
465x61 6x34 ot_off14.0470YesNoNoNo87
473x54 6x34 ot_off28.28290YesNoNoNo87
483x54 6x30 ot_off12.11090YesNoNoNo88
494x61 4x64 ot_off10.75230YesYesYesNo65
504x64 4x65 ot_off10.94120YesNoYesNo56
514x64 E2.F191 ot_off18.27534.086YesNoYesNo56
525x39 E2.F191 ot_off11.92560YesNoYesNo76
53E2.F185 E2.L177 ot_off10.86494.086NoNoYesNo34
545x35 E2.F191 ot_off22.85950NoNoYesNo46
555x34 5x35 ot_off19.08530YesNoNoNo24
565x44 6x52 ot_off14.5416.04239NoNoYesYes57
576x55 Lig ot_off12.56869.80232NoNoYesYes60
586x55 7x34 ot_off18.89280NoNoYesNo64
596x54 7x37 ot_off11.61322.00734NoNoNoNo55
604x41 I2.L148 ot_off12.82280NoNoNoNo75
615x54 6x41 ot_off12.33970NoNoYesNo88
622x56 Lig Shared31.639425.3821YesYesYesYes70
636x48 7x45 Shared10011.718YesYesNoNo89
646x40 7x53 Shared31.261660.9028YesYesYesYes89
652x46 2x50 Shared57.25629.6413NoNoYesYes99
662x42 3x46 Shared28.889518.3513YesYesYesNo88
674x61 Lig Shared31.770145.4453YesYesYesYes60
683x33 4x61 Shared21.944124.8523YesNoYesYes56
693x33 4x57 Shared14.021623.3442YesNoNoNo57
706x54 7x34 Shared13.516713.6336NoNoYesNo54
715x58 6x37 Shared18.184515.7224YesYesNoNo98
721x35 Lig ot_on011.8504NoNoYesYes50
737x39 Lig ot_on011.5345NoNoYesYes50
741x42 7x42 ot_on013.7559NoNoNoNo77
752x56 7x42 ot_on7.4793924.7605YesYesNoNo77
761x42 7x47 ot_on5.9355611.8504NoNoNoNo77
777x49 7x50 ot_on041.1963NoNoNoNo99
787x49 7x53 ot_on044.1003NoNoYesYes99
795x54 6x40 ot_on055.9201NoNoYesYes88
805x54 6x44 ot_on090.2996NoNoNoNo89
816x44 6x48 ot_on2.6190687.365NoNoYesYes98
826x48 6x52 ot_on9.8005793.3768YesYesYesYes87
836x51 6x52 ot_on4.51524100YesYesYesYes77
846x51 Lig ot_on4.5079798.9403YesYesYesYes70
852x50 7x50 ot_on035.9588YesYesNoNo99
863x46 7x53 ot_on019.9307YesNoYesYes89
872x45 3x42 ot_on024.353NoYesNoNo98
882x46 3x42 ot_on027.9091NoNoNoNo98
892x45 4x50 ot_on7.3849415.4269NoYesYesNo99
903x24 E1x50 ot_on017.0776NoNoYesYes57
913x24 3x28 ot_on022.6513NoNoNoNo56
923x28 3x32 ot_on023.8639NoNoNoYes67
933x32 Lig ot_on0.99531425.7591NoYesYesYes70
943x26 4x62 ot_on2.724410.0774NoNoNoNo65
953x30 4x62 ot_on012.0338NoYesNoNo75
963x30 4x57 ot_on019.6556NoYesNoNo77
973x47 5x57 ot_on019.4314NoNoNoYes86
983x47 5x58 ot_on9.2556920.9497NoNoYesYes89
995x54 5x58 ot_on033.7477NoNoYesYes89
1004x61 4x65 ot_on5.917423.3442YesYesYesNo66
101E2.F191 E2x52 ot_on019.6556YesNoNoNo65
1024x65 E2x52 ot_on1.3113421.5101YesNoNoNo65
1035x36 E2.F191 ot_on3.8068913.9698NoNoYesNo56
1045x35 E2.Q193 ot_on010.0774NoNoNoNo40
1055x35 5x36 ot_on0.018162712.0338NoNoNoNo45
1065x47 6x48 ot_on013.8272NoYesYesYes88
1075x62 6x37 ot_on013.8272NoNoNoNo58
1086x58 7x34 ot_on1.9434115.2028NoNoYesNo54
1096x58 Lig ot_on020.43NoNoYesYes50
1105x58 6x40 ot_on010.9028YesYesYesYes98

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
1x351x39ot_off3.9800112
1x352x64ot_off12.9900112
2x562x60ot_off5.1201111
2x563x32Shared11.527.681111
2x567x42Shared4.337.221112
2x56LigShared30.619.161110
2x607x38ot_off6.800111
3x293x32Shared8.149.491111
3x294x65ot_off17.3701111
3x29E2x50ot_off6.4701112
3x29Ligot_off9.7301110
3x32LigShared16.325.641110
3x334x61Shared14.6410.030021
3x335x43ot_off5.7100021
3x366x48ot_off5.8201011
3x366x52ot_off3.7301012
3x36Ligot_off8.6701010
3x406x44Shared7.783.890122
4x614x64ot_off5.4901112
4x614x65Shared5.8610.541111
4x615x39Shared6.7610.151111
4x61LigShared5.18.231110
4x644x65ot_off6.2801021
4x64E2.F191Shared6.282.511022
4x645x39ot_off12.0901021
4x65E2x52Shared6.938.321012
4x65Ligot_off5.601010
E2.D186E2x51ot_off11.1700021
5x39E2.F191ot_off6.1901112
5x395x43Shared7.2513.31111
5x406x59Shared10.759.220012
5x40Ligot_off5.4700010
5x425x43Shared7.053.520021
5x4616x52Shared3.935.240122
6x446x48Shared10.0215.030121
6x486x51ot_off4.0101111
6x486x52Shared8.026.011112
6x487x41ot_off7.7801112
6x487x45Shared13.5614.691112
6x48Ligot_off7.8601110
6x516x52Shared159.651112
6x516x55ot_off8.201111
6x517x41Shared4.168.321112
6x51LigShared9.335.161110
6x55LigShared10.216.731110
6x587x34Shared3.962.640112
7x357x39ot_off4.2800111
2x593x28Shared3.533.530122
6x557x34ot_off3.5101112
1x387x39ot_off2.9800021
1x397x38ot_off2.8300021
4x605x39ot_off2.7800021
1x357x35Shared2.734.10111
E2.R178E2x51Shared260021
7x30E3.P305ot_off1.5700012
3x283x29ot_off1.5200121
7x38Ligot_on03.30110
7x39Ligot_on05.040110
2x60Ligot_on014.650110
5x39Ligot_on03.631110
5x43Ligot_on04.420110
6x58Ligot_on07.220110
E2x51Ligot_on013.560110
7x35Ligot_on07.840110
1x35Ligot_on09.910110
1x311x35ot_on06.630021
2x563x36ot_on016.311111
2x592x60ot_on06.320121
2x593x32ot_on06.320121
2x603x29ot_on04.070111
2x603x32ot_on011.520111
2x647x39ot_on04.070021
3x283x32ot_on04.30121
3x406x48ot_on04.850121
5x406x55ot_on06.860011
5x4616x48ot_on04.90121
6x517x38ot_on03.731111
6x587x29ot_on04.590112
5x476x48ot_on02.890121
E2.F191E2x52ot_on02.771022
1x392x64ot_on02.710022
7x30Ligot_on01.330010

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
ot_off 6TPK-OT-Retosiban
ot_on 7QVM-OT-Oxytocin-chim(NtGi1-Go-CtGq)/&β;1/&γ;2
Network Difference
Value ot_off ot_on
Imin 3.71 3.26
Number of Linked Nodes 239 237
Number of Specific Nodes 23 (9.62%) 21  (8.86%)
Number of Shared Nodes 216 (90.38%) 216  (91.14%)
Number of Links 269 243
Number of Specific Links 152 (56.51%) 126  (51.85%)
Number of Shared Links 117 (43.49%) 117  (48.15%)
Number of Hubs 36 19
Number of Specific Hubs 23 (63.89%) 6  (31.58%)
Number of Shared Hubs 13 (36.11%) 13  (68.42%)
Average % Shared Neighbours (Jaccard) 32.30
Average % Shared Neighbours (Otsuka) 41.29
Average % Shared Neighbours (Overlap Coefficient) 50.83
Average % Shared Cliques (k3-6) 75.64
Graphlets Similarity 0.572226
Paths Difference
Value ot_off ot_on
Number Of Nodes in MetaPath 68 49
Specific Nodes in MetaPath 42 (61.76%) 23  (46.94%)
Shared Nodes in MetaPath 216 (90.38%) 216  (90.38%)
Number Of Links MetaPath 71 49
Specific Links in MetaPath 61 (85.92%) 39  (79.59%)
Shared Links in MetaPath 117 (43.49%) 117  (43.49%)
Number of Shortest Paths 55617 19318
Length Of Smallest Path 3 3
Average Path Length 13.6516 11.548
Length of Longest Path 30 29
Minimum Path Strength 1.46 1.38
Average Path Strength 7.01631 6.72118
Maximum Path Strength 18.31 19.79
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.912031 0.909872
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4 5
Average % Of Corr. Nodes 39.2088 47.4382
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 45.2043 39.0629
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 ot_off_on.zip<



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