Orange: nodes, hubs and links specific of class-a_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of class-a_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 class-a_off Avg Int. Strength class-a_on Avg Int. Strength class-a_off Num Of Links class-a_on Num Of Links ConSurf
11x57 class-a_off14.28570437
22x38 class-a_off00516
32x41 class-a_off4.76190435
42x44 class-a_off14.28570535
5E1x52 class-a_off14.285711.6019437
63x31 class-a_off00434
73x50 class-a_off44.2468.33333739
85x70 class-a_off00414
9I3 class-a_off9.523810634
106x27 class-a_off00424
116x44 class-a_off29.32813.7629439
127x34 class-a_off14.28575.55556424
137x45 class-a_off19.66670539
147x56 class-a_off00417
15CT class-a_off14.28570515
16NT Shared4031.923414145
171x39 Shared34.523810.4167447
181x50 Shared00459
191x60 Shared9.523810545
202x40 Shared08.33333458
21E1x50 Shared58.492148.901448
223x51 Shared29.166733.7037547
23E2 Shared96.428699.001122274
245x58 Shared7.1428647.0886559
256x48 Shared80.274980.2336558
266x51 Shared35.929735.6855446
27E3 Shared38.466657.4094872
287x49 Shared2.8571430.5722549
297x53 Shared4573.3095559
308x50 Shared21.111133.5096458
318x54 Shared00446
32Lig Shared10096.498315170
331x31 class-a_on00342
341x35 class-a_on010.4167345
352x42 class-a_on34.293623.7216347
362x46 class-a_on07.481149
372x50 class-a_on9.3809543.0457359
382x51 class-a_on00247
393x30 class-a_on00246
403x42 class-a_on14.285720.2778248
413x49 class-a_on10.85031.15741348
423x56 class-a_on00256
434x41 class-a_on00355
444x50 class-a_on012.5249
455x39 class-a_on25.198437.4486346
465x47 class-a_on021.6968348
475x51 class-a_on00347
485x66 class-a_on00145
496x23 class-a_on00244
506x30 class-a_on00247
516x49 class-a_on00246
526x59 class-a_on00344
537x55 class-a_on00246
548x51 class-a_on00348
55I2x57 class-a_on14.28570240
56E1 class-a_on018.0556160
   
Orange: nodes, hubs and links specific of class-a_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of class-a_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 class-a_off Recurrence class-a_on Recurrence class-a_off Hub1? class-a_on Hub1? class-a_off Hub2? class-a_on Hub2? ConSurf1 ConSurf2
12x53 7x42 class-a_off39.82240NoNoNoNo77
22x53 7x46 class-a_off42.23834.26339NoNoNoNo79
32x50 7x46 class-a_off43.43345.67577NoYesNoNo99
46x48 Lig class-a_off1000YesYesYesYes80
51x43 2x57 class-a_off13.84612.12573NoNoNoNo67
61x53 7x53 class-a_off44.45350NoNoYesYes99
71x60 I1x50 class-a_off13.64559.86998YesYesNoNo57
82x40 I1x50 class-a_off14.47350YesYesNoNo87
91x57 2x40 class-a_off18.49420YesNoYesYes78
101x57 7x53 class-a_off28.04640YesNoYesYes79
112x38 3x49 class-a_off12.08760YesNoNoYes68
123x49 3x50 class-a_off15.12660NoYesYesNo89
133x50 6x37 class-a_off26.34770YesNoNoNo98
143x46 6x37 class-a_off76.94740NoNoNoNo98
152x42 3x46 class-a_off77.74550NoYesNoNo79
162x42 4x46 class-a_off79.94790NoYesNoNo77
172x45 4x46 class-a_off80.6651.0569NoNoNoNo97
182x45 3x42 class-a_off84.12222.09233NoNoNoYes98
193x41 4x49 class-a_off85.44549.35942NoNoNoNo57
203x41 5x50 class-a_off87.36610NoNoNoNo59
213x40 5x50 class-a_off89.214.20613NoNoNoNo79
223x40 6x44 class-a_off89.80750NoNoYesNo79
233x33 Lig class-a_off10.11997.6178NoNoYesYes40
245x39 E2 class-a_off15.98022.74365NoYesYesYes64
253x54 5x61 class-a_off24.34595.09603NoNoNoNo88
263x51 5x61 class-a_off25.61787.05237YesYesNoNo78
276x51 6x52 class-a_off14.16620YesYesNoNo67
286x51 Lig class-a_off14.55032.95837YesYesYesYes60
293x54 5x65 class-a_off17.00463.13492NoNoNoNo88
306x40 7x52 class-a_off10.21380NoNoNoNo88
316x40 7x49 class-a_off11.63940NoNoYesYes89
326x54 7x34 class-a_off17.47411.05213NoNoYesNo54
337x34 E2 class-a_off10.49551.58654YesNoYesYes44
346x54 7x37 class-a_off12.52290NoNoNoNo56
351x43 1x47 class-a_off11.02050NoNoNoNo66
368x50 8x54 class-a_off12.24120YesYesYesYes86
377x53 8x50 class-a_off15.25460YesYesYesYes98
386x50 7x37 class-a_off10.03460NoNoNoNo96
393x48 5x57 class-a_off13.5261.96588NoNoNoNo68
403x48 3x52 class-a_off12.13450NoNoNoNo64
416x44 7x45 class-a_off41.36750YesNoYesNo99
425x65 6x31 class-a_off15.60030NoNoNoNo84
436x27 6x31 class-a_off13.86320YesNoNoNo44
441x39 2x57 Shared25.186720.3937YesYesNoNo77
452x57 7x42 Shared38.601723.2351NoNoNoNo77
462x50 7x49 Shared82.794844.6284NoYesYesYes99
477x45 7x49 Shared90.938685.838YesNoYesYes99
486x48 7x45 Shared51.675385.3656YesYesYesNo89
49Lig NT Shared22.352610.266YesYesYesYes05
501x50 2x50 Shared53.02465.4324YesYesNoYes99
511x53 2x47 Shared45.554741.6605NoNoNoNo99
521x50 2x47 Shared46.647350.6072YesYesNoNo99
533x42 4x49 Shared84.788130.3066NoYesNoNo87
546x44 6x48 Shared49.605218.8095YesNoYesYes98
553x47 5x58 Shared53.228941.9492NoNoYesYes99
565x58 6x37 Shared58.901452.4967YesYesNoNo98
573x51 5x57 Shared35.712236.3736YesYesNoNo78
583x47 5x57 Shared47.936340.0954NoNoNoNo98
59E2 Lig Shared42.451735.5815YesYesYesYes40
607x42 Lig class-a_on023.7123NoNoYesYes70
613x36 6x48 class-a_on1.4810777.5904NoNoYesYes78
623x36 Lig class-a_on077.0297NoNoYesYes70
631x56 8x54 class-a_on011.8239NoNoYesYes76
641x56 8x50 class-a_on1.4255816.5716NoNoYesYes78
657x54 8x50 class-a_on037.9816NoNoYesYes78
661x53 7x54 class-a_on040.439NoNoNoNo97
678x50 I1x50 class-a_on010.5452YesYesNoNo87
682x42 3x45 class-a_on2.9578720.1765NoYesNoNo77
693x45 4x49 class-a_on021.1213NoNoNoNo77
702x46 3x42 class-a_on036.4523NoYesNoYes98
712x46 7x49 class-a_on1.4810716.271NoYesYesYes99
723x43 7x49 class-a_on066.0647NoNoYesYes89
733x43 7x53 class-a_on0100NoNoYesYes89
743x50 5x58 class-a_on046.3843YesNoYesYes99
753x50 7x53 class-a_on046.6563YesNoYesYes99
765x58 6x40 class-a_on046.3891YesYesNoNo98
776x40 7x53 class-a_on047.1383NoNoYesYes89
783x51 3x55 class-a_on3.8072522.0613YesYesNoNo77
795x47 5x51 class-a_on4.3365112.8975NoYesNoYes87
805x51 6x44 class-a_on016.8579NoYesYesNo79
817x52 7x53 class-a_on010.0775NoNoYesYes89
825x62 6x37 class-a_on050.643NoNoNoNo58
833x55 3x56 class-a_on2.3389813.0264NoNoNoYes76
845x62 5x66 class-a_on1.4810741.6366NoNoNoYes55
855x66 6x30 class-a_on030.006NoYesNoYes57
866x27 6x30 class-a_on015.3358YesNoNoYes47
876x26 6x27 class-a_on014.2407NoNoYesNo54
886x23 6x26 class-a_on013.1457NoYesNoNo45
892x46 2x50 class-a_on027.3721NoYesNoYes99
902x46 3x43 class-a_on034.5413NoYesNoNo98

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
E3NTclass-a_off5.192301121
NTNTShared41.297593.15451111
E2NTShared16.992211.25021111
7x31NTShared4.248142.415381021
2x577x42Shared5.714156.141560021
2x603x28class-a_off3.934301012
3x25E2Shared4.220913.097151121
3x26E2Shared4.716844.035421121
3x32LigShared8.653625.943091110
3x334x57Shared3.931292.78191112
3x33LigShared6.165454.935911110
3x366x48Shared6.597822.885420111
3x406x44class-a_off7.0863300022
4x605x39Shared7.359285.863530122
5x39E2Shared10.07366.871561121
E2E2x52Shared8.361925.852411111
E2E2Shared59.005148.98691111
5x36E2Shared12.1587.65080121
E2E2x51Shared9.439796.493531112
7x34E2Shared4.197814.928191121
E2LigShared9.545789.25551110
E2x52LigShared4.802018.898881110
6x58E2class-a_off5.2151201111
6x446x48Shared10.4386.351021021
6x487x41Shared7.021943.920851012
6x487x45Shared6.693696.702591012
6x48Ligclass-a_off4.7892801010
6x516x55Shared5.107713.115481111
6x517x38Shared3.970343.373371111
6x51LigShared9.779697.091861110
6x587x34class-a_off4.2777501112
E3E3Shared4.690147.218961122
7x347x38class-a_off3.8951501121
7x38LigShared7.213525.43371110
2x537x42class-a_off4.183900021
E1x49E2Shared4.597982.570591121
3x22E2Shared7.435838.567941121
3x29Ligclass-a_off6.3407501110
3x334x61class-a_off5.0703301112
4x64E2Shared5.523673.367761021
6x447x45class-a_off4.5316101022
6x55Ligclass-a_off4.8463701010
5x406x55class-a_off4.4509600121
2x60LigShared5.851383.905451010
3x375x43class-a_off4.0782400021
LigNTShared6.7766711.36431101
3x294x65Shared4.089422.225241112
6x516x52class-a_off3.6764501112
5x35E2Shared3.601251.756441121
5x395x43Shared3.569674.519871121
2x563x32Shared3.199513.587670021
1x32NTShared2.901222.054911121
5x345x35class-a_off2.816500022
5x336x62class-a_off2.4914600021
1x321x33class-a_off2.4716501122
5x325x35class-a_off2.2176200022
5x38E2class-a_off1.6860900021
4x634x64class-a_off1.388200022
1x29NTclass-a_off1.3873700021
E1NTShared1.330772.309060121
7x27LigShared1.224941.03740110
1x247x28class-a_off1.2166700012
7x24NTShared1.197611.190950021
6x62Ligclass-a_off1.0515501010
4x68E2Shared1.048910.1048690121
5x31E2class-a_off0.52660100021
E1x501NTShared0.5245360.1585690021
1x25NTclass-a_off0.46676200021
E1x48NTShared0.2461430.1151121
5x30E2class-a_off0.24107101021
5x29E3class-a_off0.21223800122
5x275x30class-a_off0.058857100122
2x68E2class-a_off0.045238100011
4x69E2class-a_off0.043142900021
5x28NTclass-a_off0.027428600121
3x29E2class-a_on04.092471111
3x36Ligclass-a_on05.972710110
3x406x48class-a_on08.260560021
4x60E2class-a_on04.308630121
5x43Ligclass-a_on04.954380110
7x42Ligclass-a_on04.187620110
7x387x42class-a_on03.532171111
3x223x26class-a_on03.262861122
E1E1class-a_on03.757680122
6x517x37class-a_on03.084971112
6x58E3class-a_on03.063991112
5x40E2class-a_on02.469050121
6x58Ligclass-a_on02.368611110
5x365x38class-a_on01.81230122
4x63E2class-a_on01.452760021
1x291x32class-a_on01.289450022
5x337x27class-a_on01.068110021
5x406x62class-a_on00.9359720121
5x34NTclass-a_on00.9123330021
7x28NTclass-a_on00.7023990121
5x32E2class-a_on00.673620021
1x33NTclass-a_on00.566850021
5x315x35class-a_on00.5642460022
1x26NTclass-a_on00.4834440021
1x25E2class-a_on00.3546110021
1x24Ligclass-a_on00.1934950010
5x29E2class-a_on00.1704170121
1x23E2class-a_on00.08095960021
1x21E2class-a_on00.04742420021
5x28E2class-a_on00.04659090121
5x295x30class-a_on00.04651520122
2x68Ligclass-a_on00.03356060010
5x27E2class-a_on00.02644480121
4x684x69class-a_on00.0170370122

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
class-a_off sensory_off
amine_off
lipid_off
nucleotide_off
peptide_off
protein_off
hcar_off
class-a_on sensory_on
amine_on
lipid_on
nucleotide_on
peptide_on
protein_on
hcar_on
steroid_on
melatonin_on
Network Difference
Value class-a_off class-a_on
Imin 3.83824 3.19253
Number of Linked Nodes 341 372
Number of Specific Nodes 5 (1.47%) 36  (9.68%)
Number of Shared Nodes 336 (98.53%) 336  (90.32%)
Number of Links 353 390
Number of Specific Links 175 (49.58%) 212  (54.36%)
Number of Shared Links 178 (50.42%) 178  (45.64%)
Number of Hubs 32 41
Number of Specific Hubs 15 (46.88%) 24  (58.54%)
Number of Shared Hubs 17 (53.13%) 17  (41.46%)
Average % Shared Neighbours (Jaccard) 33.83
Average % Shared Neighbours (Otsuka) 41.43
Average % Shared Neighbours (Overlap Coefficient) 49.59
Average % Shared Cliques (k3-6) 80.36
Graphlets Similarity 0.493497
Paths Difference
Value class-a_off class-a_on
Number Of Nodes in MetaPath 59 45
Specific Nodes in MetaPath 29 (49.15%) 15  (33.33%)
Shared Nodes in MetaPath 336 (98.53%) 336  (98.53%)
Number Of Links MetaPath 59 47
Specific Links in MetaPath 43 (72.88%) 31  (65.96%)
Shared Links in MetaPath 178 (50.42%) 178  (50.42%)
Number of Shortest Paths 48720 78784
Length Of Smallest Path 3 3
Average Path Length 15.9035 14.3341
Length of Longest Path 38 30
Minimum Path Strength 0.505188 0.330092
Average Path Strength 4.90145 4.01344
Maximum Path Strength 14.5751 9.4505
Minimum Path Correlation 0.700236 0.702524
Average Path Correlation 0.897333 0.88885
Maximum Path Correlation 0.983664 0.986467
Minimum % Of Corr. Nodes 2.85714 3.84615
Average % Of Corr. Nodes 38.4189 33.9195
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 33.4574 42.5107
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 class-a_off_on.zip<



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