Orange: nodes, hubs and links specific of etb_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of etb_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 etb_off Avg Int. Strength etb_on Avg Int. Strength etb_off Num Of Links etb_on Num Of Links ConSurf
1NT.P88 etb_off00417
21x31 etb_off33.33330434
31x32 etb_off00436
41x35 etb_off66.666750435
51x36 etb_off00426
61x53 etb_off66.66670639
72x40 etb_off00428
82x53 etb_off10050638
92x57 etb_off33.333350437
10E1x52 etb_off1000537
113x29 etb_off33.333350435
123x50 etb_off66.66670439
13I2x54 etb_off00414
144x65 etb_off66.66670435
155x64 etb_off00425
166x26 etb_off00424
176x44 etb_off1000439
186x62 etb_off33.33330532
197x45 etb_off33.33330439
207x54 etb_off00437
21Lig Shared10010015300
221x50 Shared00449
23I1x50 Shared33.33330447
242x46 Shared33.333350449
25E1x50 Shared100100749
263x30 Shared33.33330446
273x33 Shared66.6667100444
284x41 Shared00445
294x61 Shared100100555
30E2.H258 Shared00454
315x32 Shared33.33330544
325x35 Shared66.666750543
335x42 Shared050444
345x44 Shared66.66670546
355x46 Shared100100445
365x47 Shared66.666750448
375x57 Shared33.33330547
385x58 Shared00449
395x65 Shared33.333350458
406x48 Shared100100678
416x52 Shared66.666750448
427x23 Shared33.33330445
437x35 Shared10050453
447x49 Shared00449
458x50 Shared10050649
468x54 Shared050447
47NT.C90 etb_on00147
481x43 etb_on33.33330347
492x50 etb_on33.333350349
502x56 etb_on33.333350246
512x60 etb_on050247
522x64 etb_on00344
533x31 etb_on33.33330345
543x51 etb_on00248
554x56 etb_on33.33330345
56E2.Q261 etb_on00352
575x40 etb_on00145
585x43 etb_on33.3333100346
595x461 etb_on0100356
60E3.D354 etb_on050241
   
Orange: nodes, hubs and links specific of etb_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of etb_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 etb_off Recurrence etb_on Recurrence etb_off Hub1? etb_on Hub1? etb_off Hub2? etb_on Hub2? ConSurf1 ConSurf2
12x53 Lig etb_off28.67890YesNoYesYes80
22x60 Lig etb_off52.82014.16356NoYesYesYes70
32x63 Lig etb_off49.18160.985369NoNoYesYes50
43x29 Lig etb_off13.69980YesNoYesYes50
53x36 Lig etb_off27.40340NoNoYesYes70
64x65 Lig etb_off13.92560YesNoYesYes50
76x48 Lig etb_off78.89156.3993YesYesYesYes80
82x60 2x64 etb_off51.8230NoYesNoYes74
91x35 2x64 etb_off41.50960.21275YesNoNoYes54
107x31 7x35 etb_off29.47290.0503882NoNoYesYes33
117x27 7x31 etb_off25.95850NoNoNoNo33
126x62 7x27 etb_off17.59420.0205285YesNoNoNo23
136x62 7x23 etb_off18.64390.0429233YesNoYesYes25
141x36 2x64 etb_off11.33690YesNoNoYes64
152x53 2x57 etb_off10.23070YesNoYesNo87
161x50 2x50 etb_off10.33224.18782YesYesNoYes99
177x45 7x49 etb_off1000YesNoYesYes99
186x48 7x45 etb_off98.75835.76478YesYesYesNo89
196x40 7x53 etb_off77.43160NoNoNoNo89
206x40 7x49 etb_off78.12026.11003NoNoYesYes89
213x41 4x53 etb_off24.04710NoNoNoNo68
223x41 4x49 etb_off25.39411.04882NoNoNoNo67
233x42 4x49 etb_off26.73360NoNoNoNo87
242x40 8x50 etb_off50.87110YesNoYesYes89
25I1x52 I2x54 etb_off36.16280.905121NoNoYesNo84
262x39 3x50 etb_off12.88710NoNoYesNo89
272x40 3x50 etb_off17.67690YesNoYesNo89
282x45 4x50 etb_off10.16290NoNoNoNo99
292x53 2x56 etb_off13.11285.19185YesNoNoYes86
302x56 3x31 etb_off11.6830NoYesNoYes65
312x63 E1x50 etb_off48.16190.00373246NoNoYesYes59
32E1x50 E2.I242 etb_off33.99180YesYesNoNo95
33E2.I242 E2.R253 etb_off32.9272.27493NoNoNoNo55
34E1x49 E2.R253 etb_off25.48445.66214NoNoNoNo55
35E1x49 E2.L252 etb_off24.17130NoNoNoNo53
36E2.I254 E2.L252 etb_off21.52240NoNoNoNo43
37E2.I254 E2x51 etb_off11.37450NoNoNoNo44
383x29 4x61 etb_off12.13831.61802YesNoYesYes55
395x42 5x461 etb_off20.31080YesYesNoYes46
404x48 4x52 etb_off33.56290.62332NoNoNoNo34
414x44 4x48 etb_off32.55070NoNoNoNo33
424x41 4x44 etb_off31.58373.139YesYesNoNo53
433x52 4x41 etb_off21.56750NoNoYesYes55
443x48 3x52 etb_off22.71890NoNoNoNo65
453x48 5x57 etb_off20.69081.04882NoNoYesYes67
465x46 5x461 etb_off17.35712.50075YesYesNoYes56
474x56 5x46 etb_off15.95742.19468NoYesYesYes55
485x64 I2x54 etb_off34.33420YesNoYesNo54
495x64 5x68 etb_off31.26390YesNoNoNo55
505x68 6x30 etb_off21.94751.93715NoNoNoNo57
515x65 6x30 etb_off15.10332.83294YesYesNoNo87
524x61 5x35 etb_off32.7997.28389YesYesYesYes53
535x39 5x43 etb_off11.09981.85317NoNoNoYes76
545x35 5x39 etb_off10.24571.30263YesYesNoNo37
555x32 5x35 etb_off36.77240YesYesYesYes43
565x32 E2.Q261 etb_off16.41654.20648YesYesNoYes42
575x44 6x52 etb_off13.27093.92281YesYesYesYes68
585x47 6x49 etb_off20.11899.2341YesYesNoNo85
595x65 6x34 etb_off11.43090YesYesNoNo87
605x58 6x34 etb_off10.18930YesYesNoNo97
618x47 8x50 etb_off14.17012.09577NoNoYesYes89
626x49 6x53 etb_off14.64057.92587NoNoNoNo56
636x53 6x57 etb_off13.28226.61391NoNoNoNo65
647x23 E3.D354 etb_off13.32360YesYesNoYes51
65E3.D354 E3.P355 etb_off11.44225.65281NoYesNoNo11
666x57 7x30 etb_off11.94272.65564NoNoNoNo53
677x54 8x54 etb_off11.5255.21424YesNoYesYes77
686x48 6x52 etb_off20.84134.33525YesYesYesYes88
693x33 Lig Shared11.957732.1383YesYesYesYes40
705x43 Lig Shared11.991654.3838NoYesYesYes60
716x52 Lig Shared16.928213.9501YesYesYesYes80
721x35 7x35 Shared31.557425.0653YesNoYesYes53
732x46 7x49 Shared37.705591.6169YesYesYesYes99
748x50 8x54 Shared19.855578.893YesYesYesYes97
757x53 8x50 Shared68.194380.1209NoNoYesYes99
763x38 4x50 Shared18.583767.0835NoNoNoNo79
773x38 4x53 Shared21.330567.7516NoNoNoNo78
782x46 3x42 Shared28.065698.8205YesYesNoNo98
792x40 I1x52 Shared39.673465.1818YesNoNoNo88
803x33 4x61 Shared12.262513.3883YesYesYesYes45
814x61 4x65 Shared11.38216.1485YesYesYesNo55
823x36 5x461 Shared38.510712.1939NoNoNoYes76
834x56 5x42 Shared20.408632.8606NoYesYesYes54
844x52 4x56 Shared34.73334.7977NoNoNoYes45
852x39 3x49 Shared11.190156.5113NoNoNoNo88
865x47 6x52 Shared23.155413.0804YesYesYesYes88
873x36 6x48 Shared12.006610.0049NoNoYesYes78
887x23 Lig etb_on012.0484YesYesYesYes50
897x23 NT.C90 etb_on011.1638YesYesNoYes57
907x35 Lig etb_on031.0093YesYesYesYes30
911x35 7x39 etb_on2.8784324.2218YesNoNoNo55
921x39 7x39 etb_on021.0249NoNoNoNo75
931x39 2x57 etb_on2.9837814.5305NoNoYesNo77
941x43 2x57 etb_on4.3947812.3152NoYesYesNo77
952x45 3x42 etb_on099.4121NoNoNoNo98
962x45 4x46 etb_on8.73312100NoNoNoNo97
974x46 4x50 etb_on066.434NoNoNoNo79
983x37 4x53 etb_on1.471268.0875NoNoNoNo68
993x37 5x461 etb_on068.4234NoNoNoYes66
1003x33 5x461 etb_on033.7004YesYesNoYes46
1015x43 5x461 etb_on026.9092NoYesNoYes66
1024x46 4x47 etb_on034.2714NoNoNoNo73
1034x47 4x51 etb_on0.0037626534.4039NoNoNoNo34
1044x51 4x52 etb_on034.5364NoNoNoNo44
1055x42 5x43 etb_on027.7527YesYesNoYes46
1067x49 7x53 etb_on084.9974YesYesNoNo99
1071x56 8x54 etb_on4.3759670.4333NoNoYesYes77
1081x56 8x53 etb_on1.4636769.8156NoNoNoNo74
1098x53 I1x50 etb_on069.0337NoNoYesYes47
1102x40 I1x50 etb_on1.0610765.96YesNoYesYes87
1112x39 I1x52 etb_on063.7541NoNoNoNo88
1122x42 3x49 etb_on049.1005NoNoNoNo78
1132x42 3x46 etb_on1.1965247.3873NoNoNoNo79
1142x53 3x35 etb_on2.9837810.5293YesNoNoNo88
115E1x49 Lig etb_on013.2969NoNoYesYes50
1163x46 3x50 etb_on045.6554NoNoYesNo99
1173x47 5x58 etb_on014.3681NoNoYesYes99
1183x50 5x58 etb_on021.135YesNoYesYes99
1193x47 5x57 etb_on6.2836310.337NoNoYesYes97
1203x50 5x61 etb_on025.7633YesNoNoNo98
1215x61 5x65 etb_on1.2943517.7814NoNoYesYes88
1224x65 E2x52 etb_on2.4570115.443YesNoNoNo55
123E2.Q261 E2x52 etb_on014.6611NoYesNoNo25
1245x65 5x66 etb_on013.4816YesYesNoNo85
1256x28 6x32 etb_on010.6039NoNoNoNo47
1266x28 6x31 etb_on011.6135NoNoNoNo45
1275x66 6x31 etb_on012.4701NoNoNoNo55

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
2x53Ligetb_off11.4301010
2x60LigShared5.926.3750110
2x63LigShared5.053334.360110
3x29Ligetb_off4.9466701110
3x32LigShared20.86339.8551110
3x33LigShared14.279.281110
3x36Ligetb_off4.6833301010
4x65Ligetb_off4.3101110
5x43LigShared9.396676.261110
6x48LigShared13.24.6851110
6x51LigShared5.7833321.361110
6x52LigShared4.936675.291110
6x55LigShared9.9233322.711110
7x38Ligetb_off8.0300110
7x24NT.C90Shared4.853337.280122
1x247x27etb_off4.3766700021
1x277x31Shared3.806674.9950121
1x287x35etb_off5.5733300021
1x311x35etb_off5.6404022
1x317x35etb_off18.226704021
1x32E1.E165etb_off3.600121
1x352x64Shared3.663.434122
1x357x35Shared5.036675.234121
1x427x42Shared5.383335.6550021
2x532x56Shared8.6733310.7151012
2x532x57etb_off3.5333301012
2x533x32etb_off5.7701011
2x533x35Shared5.113.4851012
2x537x46etb_off5.1133301012
2x547x46etb_off5.1600022
2x59E1x52etb_off12.1400112
2x593x28etb_off5.6333300112
2x63E1x50Shared6.967.540111
E1x49E2.R253Shared14.695.9550112
E1x50E1x51etb_off3.602112
E1x50E1x52etb_off13.363302112
3x25E1x50Shared8.273337.8352121
E1x50E2.I242etb_off4.3066702112
E1x50E2x50Shared8.7066710.452112
E1x51E1x52etb_off9.6302022
3x25E2x50Shared7.287.282122
3x283x29Shared3.534.4150021
3x294x61Shared5.763336.2851112
3x294x65Shared15.419.391111
3x323x33Shared8.136677.461111
3x334x61Shared11.712.151112
3x335x43etb_off4.701111
3x365x461Shared4.206676.311012
3x366x48Shared6.955.521011
4x614x65Shared7.773338.7451121
4x615x39Shared8.5510.81122
4x65E2x52Shared7.713336.71112
E2.I242E2x50etb_off5.4566702022
E2.I243E2x51etb_off3.8066700021
E2.D246E2.Y251etb_off6.1300112
E2.K248E2.Y247Shared10.746711.940021
5x395x43Shared5.649.1651121
5x425x461etb_off4.1801122
5x445x47Shared6.078.5751122
5x446x52Shared8.296678.4851121
5x476x52Shared17.34679.6151121
6x446x48Shared14.69675.011121
6x447x45Shared6.049.671122
6x486x52Shared6.346674.2351111
6x487x41Shared8.646679.0751112
6x487x45Shared6.786.2151112
6x516x55etb_off4.0501111
6x517x37etb_off3.9901112
6x547x34Shared4.1166710.310021
6x557x34etb_off9.1301111
6x62E3.Q352etb_off10.5207111
6x627x23Shared4.88.237111
6x627x27Shared9.766673.5157111
7x23E3.Q352Shared5.458.1757111
7x317x35Shared7.423335.2750111
7x237x24etb_off3.2507112
6x586x62etb_off3.1833300011
6x627x26etb_off3.1266707112
1x277x28etb_off3.0966700122
E2.I254E2.M245etb_off2.9166700111
E2.I254E2x51Shared2.853334.9950111
E2.M245NT.P88etb_off2.7966700012
2x602x64etb_off2.7466700112
E1x49E2.L252etb_off2.7133300111
7x42Ligetb_off2.1400010
E2.I254E2.L252etb_off1.9033300111
E2.I242E2.R253Shared1.673334.3852022
7x23E3.D354etb_off1.5866707112
3x21E1x50etb_off1.4066700021
E2.Y247NT.P88etb_off1.3900112
7x277x31etb_off1.3833300111
1x221x25etb_off1.3700021
1x251x26etb_off1.3666700112
E2.D246E2.G249Shared1.116670.840112
E2.L252E2.S250Shared0.54.5050112
6x58Ligetb_on011.2550010
E2.M245Ligetb_on013.990010
E3.Q352Ligetb_on011.1257110
6x62Ligetb_on06.027110
7x23Ligetb_on08.7357110
E2.Y247Ligetb_on026.470110
7x27Ligetb_on012.2350110
E2.I254Ligetb_on011.3350110
1x25Ligetb_on08.9150110
E2.L252Ligetb_on04.3850110
7x31Ligetb_on06.730110
7x34Ligetb_on014.670110
E2x51Ligetb_on03.9050110
E1.E165Ligetb_on05.2050010
7x35Ligetb_on07.24110
2x59Ligetb_on04.4150110
E1x50Ligetb_on04.6952110
7x23NT.C90etb_on03.487112
1x257x24etb_on04.910112
1x272x64etb_on03.570122
1x322x64etb_on04.230122
2x533x36etb_on04.1551011
2x547x42etb_on05.420021
2x562x60etb_on05.3850121
2x563x32etb_on013.7050121
2x592x60etb_on04.250111
2x607x38etb_on07.080111
2x647x35etb_on014.6550121
E1x49E1x51etb_on08.8550112
3x335x461etb_on03.5851112
5x406x55etb_on07.740021
5x425x43etb_on03.421121
5x435x461etb_on03.5151112
6x486x51etb_on04.5551111
1x277x35etb_on04.230121
2x567x38etb_on04.20121
1x257x28etb_on03.0950112
E1x49Ligetb_on02.520110
1x281x31etb_on01.860022
3x21E1x52etb_on01.5050022
E2.D246Ligetb_on01.3850110

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
etb_off 5X93-ETB-K-8794
5XPR-ETB-Bosentan
6K1Q-ETB-IRL2500
etb_on 8IY5-ETB-Endothelin-1-Gi1/β1/γ2
8HBD-ETB-IRL1620-Gi1/β1/γ2
Network Difference
Value etb_off etb_on
Imin 3.42333 3.21
Number of Linked Nodes 307 311
Number of Specific Nodes 6 (1.95%) 10  (3.22%)
Number of Shared Nodes 301 (98.05%) 301  (96.78%)
Number of Links 345 346
Number of Specific Links 158 (45.80%) 159  (45.95%)
Number of Shared Links 187 (54.20%) 187  (54.05%)
Number of Hubs 46 40
Number of Specific Hubs 20 (43.48%) 14  (35.00%)
Number of Shared Hubs 26 (56.52%) 26  (65.00%)
Average % Shared Neighbours (Jaccard) 40.51
Average % Shared Neighbours (Otsuka) 50.14
Average % Shared Neighbours (Overlap Coefficient) 58.71
Average % Shared Cliques (k3-6) 81.88
Graphlets Similarity 0.608805
Paths Difference
Value etb_off etb_on
Number Of Nodes in MetaPath 83 59
Specific Nodes in MetaPath 45 (54.22%) 21  (35.59%)
Shared Nodes in MetaPath 301 (98.05%) 301  (98.05%)
Number Of Links MetaPath 87 59
Specific Links in MetaPath 68 (78.16%) 40  (67.80%)
Shared Links in MetaPath 187 (54.20%) 187  (54.20%)
Number of Shortest Paths 67693 83722
Length Of Smallest Path 3 3
Average Path Length 13.4476 20.4691
Length of Longest Path 31 54
Minimum Path Strength 0.543333 0.8
Average Path Strength 5.75945 5.32813
Maximum Path Strength 17.0317 23.915
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.931708 0.93467
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4 2.17391
Average % Of Corr. Nodes 50.1086 43.2515
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 44.3061 35.3565
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).

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