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
11x32 class-a_off00435
21x50 class-a_off07.14286439
32x44 class-a_off14.28570535
42x57 class-a_off6.476190427
53x50 class-a_off43.56840739
63x56 class-a_off00426
75x47 class-a_off021.4749438
8I3 class-a_off9.523810434
96x31 class-a_off4.76190434
107x34 class-a_off14.285710.7143434
117x42 class-a_off41.071426.627437
127x45 class-a_off27.40480439
137x56 class-a_off00417
14CT class-a_off14.28570715
15NT Shared38.571433.426512125
161x39 Shared34.386417.2619547
171x60 Shared9.523810675
182x40 Shared00448
192x41 Shared4.76190455
202x42 Shared26.884427.4078457
212x50 Shared19.142957.7222559
22E1x50 Shared63.472263.6775548
23E1x52 Shared14.28578.92857447
243x51 Shared14.285720.3575547
25E2 Shared10098.166422214
265x58 Shared17.857159.5053459
276x44 Shared34.38126.1905449
286x48 Shared86.484585.9826558
29E3 Shared23.214338.3023882
307x49 Shared1.7857124.3816549
317x53 Shared44.990166.6252459
328x50 Shared24.095222.0238568
338x54 Shared00446
34Lig Shared10085.507215150
351x59 class-a_on4.76190255
362x46 class-a_on015.4699149
373x30 class-a_on00346
384x41 class-a_on00345
395x62 class-a_on00245
406x26 class-a_on00245
416x30 class-a_on00147
426x49 class-a_on00246
436x51 class-a_on32.755130.8145346
446x59 class-a_on00344
45E1 class-a_on00150
466x22 class-a_on00240
475x77 class-a_on00040
   
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
12x57 7x42 class-a_off12.02985.44924YesNoYesNo77
22x53 7x46 class-a_off54.80428.10921NoNoNoNo79
32x53 7x42 class-a_off55.18810NoNoYesNo77
46x48 Lig class-a_off86.93070YesYesYesYes80
51x53 2x47 class-a_off95.17022.85577NoNoNoNo99
61x50 2x47 class-a_off95.87380YesNoNoNo99
77x53 8x50 class-a_off41.21990YesYesYesYes98
81x53 7x53 class-a_off94.26820NoNoYesYes99
92x40 I1x50 class-a_off12.24090YesYesNoNo87
102x38 3x49 class-a_off12.39120NoNoNoNo68
113x49 3x50 class-a_off19.39610NoNoYesNo89
123x50 6x37 class-a_off33.940YesNoNoNo98
133x46 6x37 class-a_off34.62450NoNoNoNo98
142x42 4x46 class-a_off35.98070YesYesNoNo77
152x45 4x46 class-a_off36.24941.66617NoNoNoNo97
162x45 3x42 class-a_off37.52889.90468NoNoNoNo98
173x42 4x49 class-a_off37.77196.63145NoNoNoNo87
183x41 4x49 class-a_off38.27734.98374NoNoNoNo57
193x41 5x50 class-a_off39.77420NoNoNoNo59
203x40 5x50 class-a_off41.23276.49845NoNoNoNo79
213x40 6x44 class-a_off41.71252.9703NoNoYesYes79
223x50 6x33 class-a_off65.74330YesNoNoNo98
236x33 7x59 class-a_off66.63570NoNoNoNo80
247x58 7x59 class-a_off67.12830NoNoNoNo00
257x57 7x58 class-a_off67.64010NoNoNoNo00
267x53 7x57 class-a_off68.17110YesYesNoNo90
273x25 E1x50 class-a_off12.87741.3854NoNoYesYes98
283x25 E2 class-a_off15.41070NoNoYesYes94
295x39 5x43 class-a_off10.09472.00236NoNoNoNo65
305x39 E2 class-a_off18.53571.61445NoNoYesYes64
313x50 6x34 class-a_off67.8480YesNoNoNo96
323x51 5x61 class-a_off37.1130YesYesNoNo78
335x61 6x34 class-a_off66.16880NoNoNoNo86
343x54 5x61 class-a_off29.99944.34831NoNoNoNo88
353x54 5x65 class-a_off23.38790NoNoNoNo88
365x65 6x31 class-a_off21.4720NoNoYesNo84
376x40 7x49 class-a_off10.15550NoNoYesYes89
386x54 7x34 class-a_off15.41391.30412NoNoYesNo54
396x57 6x61 class-a_off11.98821.37432NoNoNoNo43
406x61 E3 class-a_off13.89463.45426NoNoYesYes32
412x38 4x42 class-a_off11.10860NoNoNoNo67
423x48 5x57 class-a_off15.1743.26215NoNoNoNo68
434x41 I2x56 class-a_off10.23229.74213NoYesNoNo57
443x52 I2x56 class-a_off11.29730NoNoNoNo47
453x48 3x52 class-a_off13.24531.63292NoNoNoNo64
466x57 7x30 class-a_off10.20340NoNoNoNo44
476x28 6x31 class-a_off10.87510NoNoYesNo44
481x39 7x42 Shared19.002726.112YesYesYesNo77
497x42 Lig Shared58.501831.8346YesNoYesYes70
50Lig NT Shared28.975824.8707YesYesYesYes05
51E3 NT Shared17.547312.5573YesYesYesYes25
521x50 2x50 Shared10018.823YesNoYesYes99
532x50 7x46 Shared54.813810.7987YesYesNoNo99
542x50 7x49 Shared50.099222.2809YesYesYesYes99
557x45 7x49 Shared51.052360.4219YesNoYesYes99
566x48 7x45 Shared48.397560.8726YesYesYesNo89
571x60 I1x50 Shared15.765716.6322YesYesNoNo57
588x50 I1x50 Shared28.102617.3711YesYesNoNo87
592x42 3x46 Shared35.040363.7579YesYesNoNo79
606x44 6x48 Shared39.412744.1628YesYesYesYes98
613x33 Lig Shared11.745113.769NoNoYesYes40
625x58 6x37 Shared12.509645.5593YesYesNoNo98
633x51 5x57 Shared17.096341.0928YesYesNoNo78
646x51 6x52 Shared21.001816.0004NoYesNoNo67
656x51 Lig Shared22.188525.6502NoYesYesYes60
665x47 6x52 Shared11.863512.0992YesNoNoNo87
67E2 Lig Shared53.771137.9008YesYesYesYes40
681x38 7x39 class-a_on6.5538613.407NoNoNoNo45
691x39 7x39 class-a_on7.7053514.7074YesYesNoNo75
703x36 6x48 class-a_on1.31781100NoNoYesYes78
713x36 Lig class-a_on099.553NoNoYesYes70
722x40 8x50 class-a_on037.1952YesYesYesYes88
732x37 2x40 class-a_on1.5385146.7526NoNoYesYes78
742x37 2x38 class-a_on048.441NoNoNoNo76
752x38 I2x57 class-a_on050.0924NoNoNoNo60
763x49 I2x57 class-a_on5.2040752.3903NoNoNoNo80
772x42 3x49 class-a_on054.5109YesYesNoNo78
783x46 7x53 class-a_on047.3659NoNoYesYes99
793x43 7x53 class-a_on076.5701NoNoYesYes89
803x43 7x49 class-a_on053.8976NoNoYesYes89
812x46 3x42 class-a_on017.9585NoYesNoNo98
82E1x50 E1x52 class-a_on7.8524810.566YesYesYesYes87
83E1x51 E1x52 class-a_on017.6962NoNoYesYes47
84E1x49 E1x51 class-a_on1.7400218.9634NoNoNoNo44
85E1x49 E2 class-a_on2.6260220.2453NoNoYesYes44
863x33 4x57 class-a_on1.7112312.7752NoNoNoNo47
873x50 5x58 class-a_on031.3728YesNoYesYes99
883x47 5x58 class-a_on5.9621349.1244NoNoYesYes99
893x47 5x54 class-a_on4.7818646.5605NoNoNoNo98
905x54 6x44 class-a_on046.6935NoNoYesYes89
913x47 5x57 class-a_on045.2712NoNoNoNo98
923x51 3x55 class-a_on8.0667926.9506YesYesNoNo77
935x58 6x40 class-a_on014.9291YesYesNoNo98
946x40 7x53 class-a_on014.9291NoNoYesYes89
956x30 6x31 class-a_on011.9107NoYesYesNo74
965x66 6x30 class-a_on035.614NoNoNoYes57
975x62 5x66 class-a_on1.2026637.9673NoYesNoNo55
985x62 6x37 class-a_on044.6911NoYesNoNo58
993x55 3x56 class-a_on6.1060616.3588NoNoYesNo76
100I2x52 I2x56 class-a_on012.2765NoNoNoNo47
1013x56 I2x52 class-a_on1.9831114.8108YesNoNoNo64
1023x50 7x53 class-a_on014.1348YesNoYesYes99
1035x69 6x30 class-a_on022.6097NoNoNoYes57
1045x69 6x26 class-a_on019.7835NoNoNoYes55
1055x73 6x26 class-a_on011.3049NoNoNoYes05
1065x73 5x77 class-a_on010.3628NoNoNoYes00
1072x46 2x50 class-a_on012.3873NoYesYesYes99
1082x46 3x43 class-a_on022.7169NoYesNoNo98
1093x46 3x50 class-a_on017.1383NoNoYesNo99

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
E3NTShared6.018572.577971121
NTNTShared41.283721.75921111
E2NTShared17.20914.23511111
7x31NTShared4.154252.279221021
1x392x57class-a_off4.0092101022
1x397x42Shared3.828343.640461021
2x577x42Shared5.768074.977091021
2x603x28Shared4.03312.846931112
3x25E2class-a_off4.3698601321
3x26E2class-a_off4.8813901021
3x32LigShared9.025664.70461110
3x334x57Shared3.96413.769721112
3x33LigShared4.922565.498171110
3x366x48Shared6.431213.693950111
3x406x44Shared7.277583.347560122
4x605x39Shared7.141085.707270122
5x39E2Shared9.715036.812241121
E2E2x52Shared8.156745.455041111
E2E2Shared61.757751.56021111
5x36E2Shared12.16018.713610021
E2E2x51Shared9.605668.132191111
7x34E2class-a_off4.1519201111
E2LigShared6.299338.973861110
E2x52LigShared5.080735.314051110
6x58E2class-a_off5.1932601021
6x446x48Shared10.94786.548461121
6x487x41Shared6.820994.431881112
6x487x45Shared6.506338.338121112
6x48Ligclass-a_off4.9148601110
6x516x55Shared5.029135.189111111
6x51LigShared10.28966.927941110
6x547x34Shared4.067783.468650021
6x547x37Shared4.825343.530230022
6x58E3class-a_off3.9265701022
6x587x34Shared5.239363.156831021
E3E3Shared3.985944.497191122
7x347x38class-a_off4.4953201111
7x42LigShared4.127573.531041110
7x38LigShared7.445744.599841010
2x60LigShared6.289223.306171110
3x29Ligclass-a_off6.1129601110
2x537x42class-a_off4.3356300021
3x22E2Shared7.926075.914930121
3x294x65Shared3.95343.926481112
3x334x61class-a_off5.572601112
4x64E2Shared5.398266.784521121
5x406x55Shared4.67633.485810021
6x447x45class-a_off4.5777401122
6x55Ligclass-a_off4.1890401010
E1x49E2Shared4.725762.82031121
LigNTShared5.620354.135141101
5x395x43Shared3.80884.841011121
3x375x43Shared3.662993.678290021
6x516x52Shared3.401433.526841112
1x32NTShared3.216092.037481121
2x563x32Shared2.972323.792840021
5x336x62Shared2.943391.001310021
5x35E2Shared2.817482.500661121
5x325x35class-a_off2.1086500122
6x62Ligclass-a_off1.9140701110
4x63E2class-a_off1.6753700021
5x38E2Shared1.637881.649120021
7x24NTShared1.148810.8674050021
4x68E2Shared1.092570.328780021
1x29NTclass-a_off0.9938101021
E1x501NTShared0.4709290.2930320021
E1x48NTShared0.3497860.1157861121
5x31E2class-a_off0.29186100021
5x28NTclass-a_off0.041142900121
2x68E2class-a_off0.033928600021
4x69E2Shared0.03320.02181550021
3x36Ligclass-a_on03.701920110
3x406x48class-a_on08.371320121
4x60E2class-a_on04.347320121
5x43Ligclass-a_on04.069250110
6x517x37class-a_on03.32291112
7x34Ligclass-a_on03.616431110
E2x51Ligclass-a_on04.008290110
3x223x26class-a_on02.864220122
3x29E2class-a_on02.369961111
4x634x64class-a_on02.269010022
7x28NTclass-a_on01.739860121
7x32NTclass-a_on01.678420121
6x62E2class-a_on01.224641111
5x32E2class-a_on01.195520121
5x315x35class-a_on00.6662280022
5x27E2class-a_on00.0560870121
5x28E2class-a_on00.03682190121
3x29Ca5class-a_on00.0356461112

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
class-a_off sensory_off
alicarboxylic_off
amine_off
lipid_off
nucleotide_off
peptide_off
protein_off
class-a_on sensory_on
alicarboxylic_on
amine_on
lipid_on
nucleotide_on
peptide_on
protein_on
Network Difference
Value class-a_off class-a_on
Imin 3.82493 3.30847
Number of Linked Nodes 336 372
Number of Specific Nodes 3 (0.89%) 39  (10.48%)
Number of Shared Nodes 333 (99.11%) 333  (89.52%)
Number of Links 352 387
Number of Specific Links 150 (42.61%) 185  (47.80%)
Number of Shared Links 202 (57.39%) 202  (52.20%)
Number of Hubs 34 33
Number of Specific Hubs 14 (41.18%) 13  (39.39%)
Number of Shared Hubs 20 (58.82%) 20  (60.61%)
Average % Shared Neighbours (Jaccard) 41.57
Average % Shared Neighbours (Otsuka) 48.74
Average % Shared Neighbours (Overlap Coefficient) 55.80
Average % Shared Cliques (k3-6) 80.77
Graphlets Similarity 0.381329
Paths Difference
Value class-a_off class-a_on
Number Of Nodes in MetaPath 67 59
Specific Nodes in MetaPath 31 (46.27%) 23  (38.98%)
Shared Nodes in MetaPath 333 (99.11%) 333  (99.11%)
Number Of Links MetaPath 67 62
Specific Links in MetaPath 47 (70.15%) 42  (67.74%)
Shared Links in MetaPath 202 (57.39%) 202  (57.39%)
Number of Shortest Paths 68055 60078
Length Of Smallest Path 3 3
Average Path Length 15.7677 13.5981
Length of Longest Path 34 29
Minimum Path Strength 0.619216 0.326937
Average Path Strength 4.51923 4.06584
Maximum Path Strength 14.6846 11.4744
Minimum Path Correlation 0.701756 0.702062
Average Path Correlation 0.888535 0.899444
Maximum Path Correlation 0.984253 0.987148
Minimum % Of Corr. Nodes 3.22581 3.7037
Average % Of Corr. Nodes 31.6811 37.1945
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 39.3846 37.1099
Maximum Path Hubs % 100 83.3333

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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