Orange: nodes, hubs and links specific of dop_off_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of dop_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 dop_off_allo Avg Int. Strength dop_off Avg Int. Strength dop_off_allo Num Of Links dop_off Num Of Links ConSurf
1I1x50 dop_off_allo5.26754.17427
22x56 dop_off_allo4.945.22667437
33x36 dop_off_allo8.689.44333438
43x50 dop_off_allo6.888339.35639
5I2x57 dop_off_allo6.62611.795526
65x34 dop_off_allo7.20256.83333433
75x40 dop_off_allo9.56256.66667435
8I3 dop_off_allo5.691.21713
96x26 dop_off_allo4.11750402
10E3 dop_off_allo9.088336.21667632
117x52 dop_off_allo4.30751.535428
128x50 dop_off_allo7.741677.21667638
131x39 Shared5.7543.63547
142x42 Shared7.4927.906557
152x45 Shared10.70759.61449
162x50 Shared9.33256.955449
172x57 Shared5.9353.462457
18E1x50 Shared6.921675.352658
19E1x52 Shared10.078.155547
203x34 Shared5.3665.43555
213x37 Shared6.26755.06447
223x51 Shared7.4986.76558
234x50 Shared8.148.79449
24E2 Shared13.042712.31411103
255x47 Shared9.52756.138458
265x58 Shared6.027.3448
276x44 Shared12.227510.885449
286x48 Shared9.459.24667668
297x27 Shared6.53753.79443
307x42 Shared9.2348.2225547
317x45 Shared7.95255.655449
327x53 Shared7.4186.9125549
33Lig Shared10.7329.2310110
343x43 dop_off8.534.49148
353x49 dop_off9.403339.5425348
365x44 dop_off6.403335.8225345
375x61 dop_off4.8754.665248
385x66 dop_off8.57.2075144
396x30 dop_off4.252.62246
406x34 dop_off6.883336.6725347
418x47 dop_off8.557.5425348
   
Orange: nodes, hubs and links specific of dop_off_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of dop_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 dop_off_allo Recurrence dop_off Recurrence dop_off_allo Hub1? dop_off Hub1? dop_off_allo Hub2? dop_off Hub2? ConSurf1 ConSurf2
11x35 1x39 dop_off_allo33.80832.3343NoNoYesYes57
21x35 2x64 dop_off_allo27.91980NoNoNoNo54
31x39 7x42 dop_off_allo49.5250YesYesYesYes77
41x42 2x57 dop_off_allo13.27886.96541NoNoYesYes77
51x42 7x47 dop_off_allo11.09954.65923NoNoNoNo77
66x48 7x45 dop_off_allo91.07995.99044YesYesYesYes89
77x45 7x49 dop_off_allo1000YesYesNoNo99
87x53 8x50 dop_off_allo34.98180YesYesYesNo98
98x53 I1x50 dop_off_allo22.24780NoNoYesNo67
101x60 8x53 dop_off_allo20.60632.19368NoNoNoNo56
111x59 1x60 dop_off_allo13.90056.54355NoNoNoNo55
128x47 8x49 dop_off_allo12.23814.37799NoYesNoNo87
133x36 3x37 dop_off_allo58.85020YesNoYesYes87
142x43 7x53 dop_off_allo60.10762.19368NoNoYesYes89
152x43 3x46 dop_off_allo76.79520NoNoNoNo89
163x49 I2x57 dop_off_allo96.01154.34049NoYesYesNo86
173x50 I2x57 dop_off_allo82.32750YesNoYesNo96
182x42 4x42 dop_off_allo17.25342.19368YesYesNoNo77
192x63 2x64 dop_off_allo22.46444.47174NoNoNoNo44
20E1x49 E2 dop_off_allo13.2234.45299NoNoYesYes43
212x66 E1x49 dop_off_allo11.40682.3343NoNoNoNo44
223x40 6x44 dop_off_allo15.64688.72785NoNoYesYes79
233x40 5x50 dop_off_allo13.96346.57167NoNoNoNo78
243x50 5x61 dop_off_allo58.44510YesNoNoYes98
253x51 3x55 dop_off_allo35.88294.37799YesYesNoNo87
263x55 5x64 dop_off_allo33.78042.19368NoNoNoNo75
272x41 4x42 dop_off_allo14.82960NoNoNoNo67
285x34 5x35 dop_off_allo11.16939.25284YesNoNoNo34
295x44 6x56 dop_off_allo11.16933.00928NoYesNoNo56
306x34 6x38 dop_off_allo14.52920NoYesNoNo75
315x58 6x38 dop_off_allo12.39172.19368YesYesNoNo85
325x64 5x68 dop_off_allo29.10730NoNoNoNo56
335x68 I3 dop_off_allo24.37830NoNoYesNo63
346x40 7x53 dop_off_allo11.28810NoNoYesYes79
356x58 7x34 dop_off_allo10.98770NoNoNoNo45
362x43 8x50 dop_off_allo17.40710NoNoYesNo88
371x36 2x61 Shared13.320811.5215NoNoNoNo66
381x39 2x61 Shared15.493213.7714YesYesNoNo76
397x42 Lig Shared78.946685.8629YesYesYesYes70
406x48 Lig Shared91.792480.6787YesYesYesYes80
412x50 7x49 Shared25.558821.1775YesYesNoNo99
427x49 7x53 Shared98.323623.193NoNoYesYes99
438x50 I1x50 Shared29.868712.9277YesNoYesNo87
448x47 8x50 Shared17.239521.1775NoYesYesNo88
453x36 Lig Shared55.895515.2151YesNoYesYes80
463x37 3x41 Shared56.58738.5113YesYesNoNo76
473x41 4x49 Shared55.511338.3426NoNoNoNo66
482x45 4x49 Shared53.31136.7864YesYesNoNo96
492x45 4x46 Shared54.24745.4767YesYesNoNo97
502x42 4x46 Shared54.205142.1018YesYesNoNo77
512x42 3x49 Shared99.448216.5089YesYesNoYes78
522x42 3x46 Shared76.061830.5147YesYesNoNo79
532x45 4x50 Shared15.521132.8396YesYesYesYes99
542x60 7x42 Shared12.950546.5829NoNoYesYes57
552x63 E1x50 Shared20.655238.9988NoNoYesYes48
565x40 Lig Shared50.146740.4706YesNoYesYes50
575x36 5x40 Shared46.842730.3647NoNoYesNo45
585x36 E2 Shared45.040528.2647NoNoYesYes43
593x34 4x50 Shared10.470819.0588YesYesYesYes59
603x36 6x52 Shared15.157914.1746YesNoNoNo87
616x48 6x52 Shared20.333934.5739YesYesNoNo87
623x50 6x34 Shared19.062668.5291YesNoNoYes97
633x51 5x61 Shared56.272722.9962YesYesNoYes88
645x35 E2 Shared13.362711.5215NoNoYesYes43
655x47 6x52 Shared32.851446.0392YesYesNoNo87
665x44 5x47 Shared19.404917.6526NoYesYesYes58
676x58 Lig Shared29.903615.5714NoNoYesYes40
686x58 E3 Shared17.539813.5558NoNoYesNo42
692x57 7x42 Shared18.035847.2204YesYesYesYes77
701x39 2x57 dop_off1.6904222.5837YesYesYesYes77
712x54 2x57 dop_off013.7714NoNoYesYes67
726x44 6x48 dop_off9.6744982.8068YesYesYesYes98
733x43 6x44 dop_off1.7882187.9629NoYesYesYes89
743x43 6x41 dop_off079.1038NoYesNoNo87
755x54 6x41 dop_off077.5663NoNoNoNo87
763x47 5x54 dop_off1.7882176.3664NoNoNoNo98
773x47 5x58 dop_off075.9539NoNoYesYes98
785x58 5x61 dop_off0100YesYesNoYes88
795x61 6x34 dop_off083.3599NoYesNoYes87
803x50 6x33 dop_off2.1933565.5573YesNoNoNo98
816x32 6x33 dop_off064.0011NoNoNoNo78
826x32 8x47 dop_off060.9825NoNoNoYes78
836x36 8x47 dop_off4.0444338.6144NoNoNoYes88
846x36 7x53 dop_off029.1085NoNoYesYes89
851x50 2x50 dop_off8.8642110.8184NoNoYesYes99
865x43 Lig dop_off2.263240.4425NoNoYesYes50
873x37 5x43 dop_off039.0175YesYesNoNo75
881x60 I1x50 dop_off010.8184NoNoYesNo57
892x41 4x46 dop_off010.8184NoNoNoNo67
902x42 4x45 dop_off4.9944112.3652YesYesNoNo75
912x46 3x43 dop_off016.2464NoNoNoYes98
922x46 3x42 dop_off1.88616.7151NoNoNoNo98
932x60 2x63 dop_off044.8111NoNoNoNo54
943x28 E1x50 dop_off011.3246NoNoYesYes58
95E1x50 E1x52 dop_off7.781513.7339YesYesYesYes87
96E1x50 E2x50 dop_off4.2889111.3528YesYesNoNo89
975x58 6x37 dop_off031.1615YesYesNoNo87
984x41 I2x56 dop_off012.4777NoNoNoNo43
995x44 5x48 dop_off5.6091111.9528NoYesNoNo54
1006x30 6x34 dop_off018.9463NoYesNoYes67
1015x65 6x30 dop_off010.5278NoNoNoYes86
1023x46 6x37 dop_off029.9147NoNoNoNo97
1032x45 3x42 dop_off1.7672515.0558YesYesNoNo98

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
2x577x42Shared4.699.380121
2x607x42Shared11.2710.150121
3x327x42Shared8.059.21111
3x32LigShared16.8117.751110
3x334x60Shared9.6720.550012
3x33LigShared12.111.30010
3x366x48Shared8.146.981111
3x366x52Shared6.575.251112
3x36LigShared13.6217.511110
3x375x43dop_off5.2400021
5x365x40Shared9.6813.833121
5x406x59Shared4.515.020112
5x40LigShared5.824.850110
5x43LigShared4.16.150010
6x446x48Shared25.0528.061121
6x447x45Shared4.836.041122
6x486x52Shared4.234.231112
6x487x41Shared4.222.811112
6x487x45Shared6.786.781112
6x48LigShared7.067.841110
6x517x38Shared4.422.941011
6x51LigShared4.913.931010
6x55LigShared17.4323.580110
6x58E3Shared11.0425.510112
7x38Ligdop_off6.8801010
7x42LigShared8.8810.491110
6x58LigShared3.923.920110
1x392x57Shared3.528.210122
3x33E2x52dop_off3.5200012
7x347x38dop_off2.8500021
1x397x42dop_off_allo06.950121
3x363x37dop_off_allo04.981112
4x60E2x52dop_off_allo05.710022
5x406x55dop_off_allo04.550111
6x587x34dop_off_allo011.390112
E3E3dop_off_allo07.450122

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
dop_off_allo 4N6H-δ-Naltrindole-Na
dop_off 4EJ4-δ-Naltrindole
Network Difference
Value dop_off_allo dop_off
Imin 4.17 4
Number of Linked Nodes 262 240
Number of Specific Nodes 28 (10.69%) 6  (2.50%)
Number of Shared Nodes 234 (89.31%) 234  (97.50%)
Number of Links 284 250
Number of Specific Links 109 (38.38%) 75  (30.00%)
Number of Shared Links 175 (61.62%) 175  (70.00%)
Number of Hubs 33 29
Number of Specific Hubs 12 (36.36%) 8  (27.59%)
Number of Shared Hubs 21 (63.64%) 21  (72.41%)
Average % Shared Neighbours (Jaccard) 50.12
Average % Shared Neighbours (Otsuka) 58.42
Average % Shared Neighbours (Overlap Coefficient) 67.80
Average % Shared Cliques (k3-6) 80.00
Graphlets Similarity 0.474432
Paths Difference
Value dop_off_allo dop_off
Number Of Nodes in MetaPath 68 66
Specific Nodes in MetaPath 24 (35.29%) 22  (33.33%)
Shared Nodes in MetaPath 234 (89.31%) 234  (89.31%)
Number Of Links MetaPath 69 67
Specific Links in MetaPath 36 (52.17%) 34  (50.75%)
Shared Links in MetaPath 175 (61.62%) 175  (61.62%)
Number of Shortest Paths 39105 28451
Length Of Smallest Path 3 3
Average Path Length 12.8088 12.4181
Length of Longest Path 28 30
Minimum Path Strength 1.435 1.295
Average Path Strength 8.01073 7.19114
Maximum Path Strength 20.665 17.12
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.928453 0.92167
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.16667 4.7619
Average % Of Corr. Nodes 53.9816 51.5898
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 45.8773 43.7817
Maximum Path Hubs % 100 100

Details about the values in these tables can be found in the corresponding documentation page .

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