Orange: nodes, hubs and links specific of npy_on_gp network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of npy_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 npy_on_gp Avg Int. Strength npy_off Avg Int. Strength npy_on_gp Num Of Links npy_off Num Of Links ConSurf
11x50 npy_on_gp66.66670439
21x53 npy_on_gp00429
3I1x51 npy_on_gp00416
42x42 npy_on_gp33.333350427
52x50 npy_on_gp1000539
62x53 npy_on_gp33.33330427
72x57 npy_on_gp66.66670637
83x43 npy_on_gp66.66670438
93x49 npy_on_gp33.333325438
103x51 npy_on_gp33.333350437
114x46 npy_on_gp33.33330417
124x50 npy_on_gp66.66670439
134x61 npy_on_gp33.333350435
14E2x52 npy_on_gp00414
155x39 npy_on_gp0100436
165x461 npy_on_gp66.66670426
175x58 npy_on_gp1000739
185x64 npy_on_gp00435
196x26 npy_on_gp33.33330624
206x30 npy_on_gp33.333350627
216x59 npy_on_gp66.66670424
227x42 npy_on_gp33.33330427
237x49 npy_on_gp33.33330429
247x52 npy_on_gp00528
25NT Shared33.333350443
261x39 Shared66.666775557
272x40 Shared33.33330448
282x46 Shared1000549
29E1x50 Shared100100648
30E1x52 Shared66.66670647
313x32 Shared66.66670446
32I2 Shared66.666775676
334x65 Shared050455
34E2 Shared10010016113
355x36 Shared33.33330444
365x47 Shared33.333350448
376x44 Shared33.333350549
386x48 Shared100100558
396x54 Shared100100565
40E3 Shared66.666750643
417x38 Shared66.666775456
427x53 Shared66.6667100849
438x50 Shared10075768
44Lig Shared10010027130
453x41 npy_off025247
463x50 npy_off00349
476x52 npy_off33.333350348
486x58 npy_off025344
497x30 npy_off33.333350353
507x47 npy_off00248
   
Orange: nodes, hubs and links specific of npy_on_gp network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of npy_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 npy_on_gp Recurrence npy_off Recurrence npy_on_gp Hub1? npy_off Hub1? npy_on_gp Hub2? npy_off Hub2? ConSurf1 ConSurf2
1Lig NT npy_on_gp27.69010YesYesYesYes03
22x64 Lig npy_on_gp10.62570NoNoYesYes40
31x35 7x35 npy_on_gp12.76610NoNoNoNo74
41x39 2x57 npy_on_gp22.85387.98287YesYesYesNo77
57x38 7x42 npy_on_gp11.70768.7769YesYesYesNo67
62x57 7x42 npy_on_gp16.29827.70233YesNoYesNo77
72x46 2x50 npy_on_gp31.76610YesYesYesNo99
81x50 2x51 npy_on_gp28.56730YesNoNoNo98
93x43 7x49 npy_on_gp11.74850YesNoYesNo89
102x50 7x49 npy_on_gp30.26320YesNoYesNo99
112x54 2x57 npy_on_gp40.89470NoNoYesNo77
122x54 7x46 npy_on_gp41.29825.74606NoNoNoNo78
132x50 7x46 npy_on_gp42.18716.88075YesNoNoNo98
141x50 7x50 npy_on_gp16.39184.60637YesNoNoNo99
151x49 7x50 npy_on_gp12.30993.46166NoNoNoNo89
163x43 7x53 npy_on_gp73.21050YesNoYesYes89
172x43 7x53 npy_on_gp60.47951.14971NoNoYesYes89
181x53 2x43 npy_on_gp12.41520YesNoNoNo98
192x43 8x50 npy_on_gp54.49120NoNoYesYes88
201x57 8x50 npy_on_gp10.66080NoNoYesYes78
211x56 8x50 npy_on_gp37.19882.29692NoNoYesYes78
221x56 8x53 npy_on_gp14.6141.15472NoNoNoNo75
231x56 8x54 npy_on_gp21.28660NoNoNoNo75
242x37 2x40 npy_on_gp14.23982.31195NoNoYesYes88
252x37 I1x51 npy_on_gp12.23980NoNoYesNo86
264x61 Lig npy_on_gp33.09368.09809YesNoYesYes50
273x33 4x61 npy_on_gp43.57892.337NoNoYesNo45
283x33 4x57 npy_on_gp43.3861.16975NoNoNoNo47
293x34 4x57 npy_on_gp43.96490NoNoNoNo57
303x34 4x50 npy_on_gp45.10536.6503NoNoYesNo59
314x46 4x50 npy_on_gp40.73680YesNoYesNo79
322x42 4x46 npy_on_gp42.20470YesNoYesNo77
332x42 3x49 npy_on_gp1000YesNoYesNo78
343x46 7x53 npy_on_gp66.85960NoNoYesYes89
352x42 3x46 npy_on_gp69.77193.31638YesNoNoNo78
362x39 3x49 npy_on_gp18.56140NoNoYesNo78
372x39 2x40 npy_on_gp17.8480NoNoYesYes78
385x461 Lig npy_on_gp13.14040YesNoYesYes60
393x37 5x461 npy_on_gp10.66673.09346NoNoYesNo66
402x51 2x55 npy_on_gp16.39181.15723NoNoNoNo85
412x55 2x551 npy_on_gp12.30990NoNoNoNo55
422x63 Lig npy_on_gp12.82460NoNoYesYes60
432x63 E1x50 npy_on_gp10.93571.16474NoNoYesYes68
44E1x50 E1x52 npy_on_gp21.66676.60772YesYesYesYes87
45E2 Lig npy_on_gp38.69010YesYesYesYes30
46E1x50 E2 npy_on_gp14.8830YesYesYesYes83
474x61 4x65 npy_on_gp10.26320YesNoYesYes55
483x49 3x53 npy_on_gp98.74851.11715YesNoNoNo88
493x53 I2 npy_on_gp96.56140NoNoYesYes86
505x64 I2 npy_on_gp73.62570YesNoYesYes56
513x55 5x64 npy_on_gp12.87136.45242NoNoYesNo65
523x52 I2 npy_on_gp14.47950.0601157NoNoYesYes46
533x52 3x56 npy_on_gp12.01751.05453NoNoNoNo46
545x47 5x48 npy_on_gp18.3863.65454YesYesNoNo85
555x45 5x48 npy_on_gp16.57895.78864NoNoNoNo55
565x42 5x45 npy_on_gp14.76020NoNoNoNo45
575x38 5x42 npy_on_gp12.92981.4528NoNoNoNo44
585x35 5x38 npy_on_gp11.08770NoNoNoNo34
596x54 7x37 npy_on_gp10.00583.40906YesYesNoNo56
605x51 6x44 npy_on_gp19.88890NoNoYesYes69
615x64 5x68 npy_on_gp56.01174.2582YesNoNoNo56
625x68 6x26 npy_on_gp53.63740NoNoYesNo64
636x26 6x30 npy_on_gp32.18130YesNoYesNo47
647x55 8x54 npy_on_gp17.28070NoNoNoNo65
657x55 8x51 npy_on_gp12.96490NoNoNoNo68
668x48 8x51 npy_on_gp10.78951.11715NoNoNoNo58
677x52 7x53 npy_on_gp13.78360YesNoYesYes89
686x48 7x45 npy_on_gp15.2697.15127YesYesNoNo89
696x47 7x45 npy_on_gp13.54976.14433NoNoNoNo89
706x47 7x43 npy_on_gp12.39185.13238NoNoNoNo86
712x46 7x53 npy_on_gp22.69010YesYesYesYes99
727x49 7x53 npy_on_gp19.79530YesNoYesYes99
732x42 3x45 npy_on_gp14.15792.2318YesNoNoNo77
745x47 5x51 npy_on_gp16.70761.48536YesYesNoNo86
757x38 Lig Shared27.53834.6166YesYesYesYes60
761x39 7x38 Shared15.497125.8823YesYesYesYes76
773x36 Lig Shared89.80747.286NoNoYesYes70
783x36 6x48 Shared94.953247.4213NoNoYesYes78
796x44 6x48 Shared83.5322100YesYesYesYes98
803x43 6x44 Shared98.713561.288YesNoYesYes89
812x46 3x43 Shared14.052621.2684YesYesYesNo98
821x50 2x50 Shared46.80742.4718YesNoYesNo99
832x40 8x50 Shared28.023417.0127YesYesYesYes88
843x51 3x55 Shared10.239834.4563YesNoNoNo76
856x48 6x52 Shared14.742754.6502YesYesNoYes88
861x39 2x61 npy_off2.426913.1553YesYesNoNo76
874x65 Lig npy_off027.255YesYesYesYes50
884x65 E2x50 npy_off023.3099YesYesNoNo59
893x25 E2x50 npy_off014.0295NoNoNoNo99
903x25 E2 npy_off2.707613.5411NoNoYesYes93
911x43 2x57 npy_off6.2397713.3883NoNoYesNo77
926x52 Lig npy_off052.2155NoYesYesYes80
932x50 3x39 npy_off7.1871349.0469YesNoNoNo99
943x39 6x44 npy_off050.898NoNoYesYes99
951x50 2x47 npy_off8.8421137.6249YesNoNoNo99
961x53 2x47 npy_off8.3567332.6529YesNoNoNo99
972x40 7x53 npy_off022.3155YesYesYesYes89
981x53 7x53 npy_off031.6359YesNoYesYes99
992x38 3x49 npy_off5.1988310.7983NoNoYesNo68
1003x49 I2 npy_off012.9349YesNoYesYes86
1013x56 I2 npy_off025.7721NoNoYesYes66
1023x55 3x56 npy_off0.16374327.8186NoNoNoNo66
1033x51 5x61 npy_off037.2893YesNoNoNo78
1045x61 6x34 npy_off038.2186NoNoNoNo86
1053x50 6x34 npy_off043.7167NoYesNoNo96
1063x50 6x37 npy_off045.951NoYesNoNo98
1075x58 6x37 npy_off2.4619950.3619YesNoNoNo98
1083x47 5x58 npy_off1.4619953.786NoNoYesNo99
1093x47 5x54 npy_off1.0643354.6252NoNoNoNo98
1105x54 6x41 npy_off058.5853NoNoNoNo88
1113x43 6x41 npy_off060.1984YesNoNoNo88
1122x45 3x42 npy_off614.8536NoNoNoNo98
1132x46 3x42 npy_off6.9005816.4792YesYesNoNo98
1142x46 3x39 npy_off020.6272YesYesNoNo99
1152x45 4x50 npy_off4.7602311.5873NoNoYesNo99
1163x40 5x50 npy_off9.8479511.1289NoNoNoNo79
1173x40 6x44 npy_off6.6959112.1108NoNoYesYes79
1186x54 7x30 npy_off7.6257311.432YesYesNoYes53
1197x30 E3 npy_off0.12865514.6657NoYesYesYes33
1206x58 7x30 npy_off011.1364NoYesNoYes43
1216x54 Lig npy_off016.2287YesYesYesYes50
1226x58 Lig npy_off9.3684213.0752NoYesYesYes40

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
NTNTnpy_off10.5501111
7x28NTnpy_off6.33500021
1x397x38Shared8.43755.080021
2x563x32Shared6.48756.616670121
2x603x28npy_off4.4501112
2x607x38Shared6.502513.691111
2x63E1x50Shared11.092510.290112
2x647x35Shared4.793.963330112
2x67E2npy_off5.7200011
E1x49E2Shared12.95759.770121
3x25E1x50Shared5.54756.963331122
E1x50E2x50Shared5.553.916671122
3x22E2Shared12.44258.926671121
3x25E2Shared5.2552.726671121
3x25E2x50Shared7.286.066671122
3x294x65Shared13.9854.896670021
3x327x38npy_off4.942501111
3x32LigShared8.46258.061110
3x366x48Shared8.353.623330112
3x36LigShared8.4652.520110
3x375x461Shared11.21755.553330021
4x605x39Shared18.42756.026670021
4x615x39Shared7.2456.813330111
4x61LigShared7.50752.940110
4x64E2Shared30.19513.30331121
4x65E2x50npy_off4.377500112
4x65E2x52Shared5.1955.683330111
E2E2Shared80.3184.061111
E2E2x51Shared14.584.626671111
5x36E2Shared10.618.306671111
5x35E2npy_off16.227501021
5x335x36npy_off4.1701021
5x33E3npy_off5.357501021
5x36E3npy_off6.487501111
5x395x43npy_off9.38500111
5x406x59Shared9.82257.256671111
5x40LigShared5.96256.933331110
5x446x52Shared3.951.716670021
5x476x52Shared8.6456.853330021
6x486x52Shared5.8953.576670121
6x516x55Shared7.42754.103330021
6x517x34npy_off4.87500021
6x52Lignpy_off10.602500010
6x546x58Shared12.06252.426671011
6x547x33Shared6.493.326671012
6x547x34Shared8.57256.786671011
6x547x37Shared4.26255.186671012
6x54Lignpy_off4.687501010
6x55LigShared18.18514.260110
6x587x30npy_off5.437501111
6x58LigShared3.992518.77331110
6x59LigShared6.897.151110
6x61E3Shared6.87759.833330021
7x30E3Shared4.8454.043331111
7x277x30npy_off9.0900111
7x34LigShared10.632511.391110
7x387x42Shared12.80258.756671112
7x38LigShared4.925.073331110
E2NTnpy_off17.35501111
6x547x30Shared4.92252.816671011
2x60LigShared4.9859.603331110
4x65Lignpy_off4.1100110
3x334x61Shared3.652.433330021
2x533x32npy_off3.582500121
3x415x461npy_off3.28500021
2x647x31npy_off2.19500111
7x277x29npy_off2.192500112
3x264x65npy_off2.03500021
7x267x30npy_off1.72500021
5x365x37npy_off1.212501112
6x576x58npy_off0.65500021
1x32NTnpy_on_gp03.326670021
1x397x35npy_on_gp05.573330022
2x532x56npy_on_gp02.816670122
2x533x36npy_on_gp02.543330121
2x567x42npy_on_gp02.70122
2x603x32npy_on_gp02.833331111
2x63Lignpy_on_gp019.03330110
2x67Lignpy_on_gp08.30010
E1x50E2npy_on_gp03.253331121
3x223x26npy_on_gp03.61122
3x283x32npy_on_gp02.753330021
E2E2x50npy_on_gp04.533331112
E2Lignpy_on_gp042.46671110
E2x51Lignpy_on_gp07.286670110
E2E2x52npy_on_gp06.976671111
5x39E2npy_on_gp03.236670111
5x366x59npy_on_gp06.353331111
5x36Lignpy_on_gp05.183331110
5x435x461npy_on_gp08.156670111
5x43Lignpy_on_gp05.106670110
5x461Lignpy_on_gp04.143330110
6x586x59npy_on_gp02.616671111
7x30Lignpy_on_gp07.681110
7x31Lignpy_on_gp011.01330010
LigNTnpy_on_gp03.186671101
E3Lignpy_on_gp010.411110
E2x52Lignpy_on_gp05.040110
2x64Lignpy_on_gp02.523330110
5x39Lignpy_on_gp03.416670110
7x29NTnpy_on_gp03.353330021
2x537x42npy_on_gp02.913330122
2x63E2npy_on_gp03.436670111
3x28E1x50npy_on_gp02.456670022
4x614x65npy_on_gp02.643330111
4x65E2npy_on_gp02.883330111
5x36E2x52npy_on_gp03.491111
E3E3npy_on_gp03.593331111
7x27Lignpy_on_gp02.210110
7x287x29npy_on_gp01.840022
5x465x461npy_on_gp01.836670021
1x31NTnpy_on_gp01.413330021
5x33E2npy_on_gp01.033331021
7x267x27npy_on_gp00.9033330021
6x57E3npy_on_gp00.5133330021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
npy_on_gp npy1_on_gp
npy2_on_gp
npy4_on_gp
npy_off npy1_off
npy2_off
Network Difference
Value npy_on_gp npy_off
Imin 2.28667 3.805
Number of Linked Nodes 271 260
Number of Specific Nodes 11 (4.06%) 0  (0.00%)
Number of Shared Nodes 260 (95.94%) 260  (100.00%)
Number of Links 337 280
Number of Specific Links 168 (49.85%) 111  (39.64%)
Number of Shared Links 169 (50.15%) 169  (60.36%)
Number of Hubs 44 26
Number of Specific Hubs 24 (54.55%) 6  (23.08%)
Number of Shared Hubs 20 (45.45%) 20  (76.92%)
Average % Shared Neighbours (Jaccard) 43.28
Average % Shared Neighbours (Otsuka) 53.29
Average % Shared Neighbours (Overlap Coefficient) 63.16
Average % Shared Cliques (k3-6) 51.67
Graphlets Similarity 0.520421
Paths Difference
Value npy_on_gp npy_off
Number Of Nodes in MetaPath 80 47
Specific Nodes in MetaPath 55 (68.75%) 22  (46.81%)
Shared Nodes in MetaPath 260 (95.94%) 260  (95.94%)
Number Of Links MetaPath 85 48
Specific Links in MetaPath 74 (87.06%) 37  (77.08%)
Shared Links in MetaPath 169 (50.15%) 169  (50.15%)
Number of Shortest Paths 60960 62980
Length Of Smallest Path 3 3
Average Path Length 11.4216 14.7901
Length of Longest Path 27 35
Minimum Path Strength 0.456667 0.745
Average Path Strength 4.56366 5.85599
Maximum Path Strength 28.3633 23.775
Minimum Path Correlation 0.703333 0.7
Average Path Correlation 0.932492 0.924132
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.7619 3.57143
Average % Of Corr. Nodes 57.8436 48.4826
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 49.445 36.3871
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 npy_off_on_gp.zip<



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