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
11x32 etb_off00436
21x35 etb_off66.66670435
31x36 etb_off00426
41x50 etb_off00439
51x53 etb_off66.66670629
6I1x50 etb_off33.333350437
72x40 etb_off00438
8E1x52 etb_off1000537
93x29 etb_off33.333350425
103x33 etb_off66.6667100434
113x50 etb_off66.66670429
12I2x54 etb_off00404
134x65 etb_off66.66670435
145x32 etb_off33.33330524
155x57 etb_off33.33330537
165x64 etb_off00425
175x65 etb_off33.333350438
186x26 etb_off00424
196x44 etb_off1000429
207x23 etb_off33.33330435
217x45 etb_off33.33330439
227x54 etb_off00427
238x54 etb_off00437
241x31 Shared33.33330454
252x46 Shared33.333350449
262x53 Shared100100658
272x57 Shared33.33330447
28E1x50 Shared100100749
293x30 Shared33.33330446
304x41 Shared00445
314x61 Shared100100555
32E2.H258 Shared050444
335x35 Shared66.6667100543
345x42 Shared050444
355x44 Shared66.66670546
365x46 Shared10050445
375x47 Shared66.66670448
385x58 Shared050459
396x48 Shared100100678
406x52 Shared66.6667100458
416x62 Shared33.333350552
427x35 Shared10050453
437x49 Shared00449
448x50 Shared10050659
45Lig Shared10010015280
462x50 etb_on33.33330349
472x56 etb_on33.3333100246
482x60 etb_on0100247
493x49 etb_on33.33330348
503x52 etb_on00345
514x38 etb_on00246
52E2.M245 etb_on050341
53E2.Q261 etb_on00342
545x39 etb_on33.333350347
555x461 etb_on0100366
56E3.D354 etb_on050341
   
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
16x62 7x27 etb_off16.31870.117019YesYesNoNo23
26x62 7x23 etb_off16.81150.109705YesYesYesNo25
37x27 7x31 etb_off24.73390NoNoNoNo33
47x31 7x35 etb_off28.27370.182842NoNoYesYes33
51x36 2x64 etb_off11.33430YesNoNoNo64
61x35 2x64 etb_off40.36410YesNoNoNo54
72x53 2x57 etb_off10.22830YesYesYesYes87
82x53 Lig etb_off28.67250YesYesYesYes80
92x60 Lig etb_off51.74366.37753NoYesYesYes70
102x60 2x64 etb_off50.7430NoYesNoNo74
117x45 7x49 etb_off1000YesNoYesYes99
125x47 6x49 etb_off19.64796.88949YesYesNoNo85
136x49 6x53 etb_off14.14064.79046NoNoNoNo56
146x53 6x57 etb_off12.77512.71338NoNoNoNo65
156x57 7x30 etb_off11.42842.8304NoNoNoNo53
166x40 7x53 etb_off75.19840NoNoNoNo89
176x40 7x49 etb_off75.90574.93674NoNoYesYes89
181x54 2x48 etb_off10.00260NoNoNoNo76
192x48 4x50 etb_off11.42080NoNoNoNo69
203x38 4x50 etb_off23.84614.90748NoNoNoNo79
213x38 4x53 etb_off26.52450NoNoNoNo78
223x41 4x53 etb_off29.17280NoNoNoNo68
233x41 4x49 etb_off30.48560NoNoNoNo67
243x42 4x49 etb_off31.7910NoNoNoNo87
252x40 8x50 etb_off48.83950YesNoYesYes89
262x39 3x50 etb_off13.15130NoNoYesNo89
272x40 3x50 etb_off17.95880YesNoYesNo89
282x45 4x50 etb_off11.55257.34294NoNoNoNo99
292x45 4x46 etb_off10.13434.90748NoNoNoNo97
302x56 3x31 etb_off11.68040NoYesNoNo65
313x29 Lig etb_off13.69670YesNoYesYes50
322x63 Lig etb_off49.14042.18679NoNoYesYes50
332x63 E1x50 etb_off48.12470.0219411NoNoYesYes59
34E1x50 E2.I242 etb_off33.95780YesYesNoNo95
35E2.I242 E2.R253 etb_off32.89325.08301NoNoNoNo55
36E2.I254 E2x51 etb_off11.37190NoNoNoNo44
37E2.I254 E2.M245 etb_off12.74120.0950779NoNoNoYes41
38E2.M245 E2.Y247 etb_off16.53690.0950779NoYesNoNo12
39E2.L252 E2.Y247 etb_off21.47610NoNoNoNo32
40E1x49 E2.L252 etb_off24.14320NoNoNoNo53
413x29 4x61 etb_off12.13560YesNoYesYes55
424x65 Lig etb_off13.91870YesNoYesYes50
433x36 Lig etb_off27.19780NoNoYesYes70
443x48 3x52 etb_off22.79650NoNoNoYes65
454x41 4x44 etb_off31.3810YesYesNoNo53
464x44 4x48 etb_off32.37780NoNoNoNo33
475x42 5x461 etb_off20.31370YesYesNoYes46
482x39 3x49 etb_off11.43960NoNoNoYes88
495x65 6x30 etb_off15.19026.48724YesNoNoNo87
505x68 6x30 etb_off22.07430NoNoNoNo57
515x64 5x68 etb_off31.43740YesNoNoNo55
525x64 I2x54 etb_off34.51450YesNoYesNo54
53I1x52 I2x54 etb_off36.32770NoNoYesNo84
545x35 5x39 etb_off10.24347.694YesYesNoYes37
555x32 5x35 etb_off36.7980YesNoYesYes43
565x32 E2.Q261 etb_off16.42787.75982YesNoNoYes42
575x58 6x34 etb_off10.24720YesYesNoNo97
585x65 6x34 etb_off11.49610YesNoNoNo87
598x47 8x50 etb_off14.05799.43465NoNoYesYes89
607x23 E3.D354 etb_off11.46220YesNoNoYes51
617x54 8x54 etb_off10.08167.34294YesNoYesNo77
623x36 6x48 etb_off12.1776.26051NoNoYesYes78
631x35 7x35 Shared30.376653.8945YesNoYesYes53
641x50 2x50 Shared10.465312.2065YesNoNoYes99
652x46 7x49 Shared42.335382.9591YesYesYesYes99
666x48 7x45 Shared98.72123.316YesYesYesNo89
676x48 6x52 Shared20.46813.9838YesYesYesYes88
685x47 6x52 Shared22.740112.9087YesYesYesYes88
696x48 Lig Shared79.001675.8941YesYesYesYes80
708x50 8x54 Shared18.432816.5947YesYesYesNo97
717x53 8x50 Shared65.955740.5324NoNoYesYes99
722x46 3x42 Shared33.088816.9385YesYesNoNo98
732x53 2x56 Shared13.109914.7444YesYesNoYes86
74E1x49 E2.R253 Shared25.456112.6088NoNoNoNo55
753x33 4x61 Shared12.259750.3035YesNoYesYes45
763x33 Lig Shared11.95540.2106YesNoYesYes40
774x61 4x65 Shared11.379556.5713YesYesYesNo55
785x43 Lig Shared11.988948.7676NoNoYesYes60
793x36 5x461 Shared38.475718.1087NoNoNoYes76
803x48 5x57 Shared20.761420.6246NoNoYesNo67
813x52 4x41 Shared21.479910.2465NoYesYesYes55
824x48 4x52 Shared33.419994.5879NoNoNoNo34
834x52 4x56 Shared34.619999.5466NoNoNoNo45
844x56 5x42 Shared20.370217.7211NoNoYesYes54
854x56 5x46 Shared15.919983.6173NoNoYesYes55
865x46 5x461 Shared17.319392.9423YesYesNoYes56
872x40 I1x52 Shared37.542823.338YesNoNoNo88
884x61 5x35 Shared32.791622.0215YesYesYesYes53
895x39 5x43 Shared11.097313.7205NoYesNoNo76
906x52 Lig Shared16.924451.7809YesYesYesYes80
915x44 6x52 Shared13.301712.894YesYesYesYes68
926x62 Lig etb_on032.2899YesYesYesYes20
936x62 7x26 etb_on7.7154630.6078YesYesNoNo22
947x26 E3.N356 etb_on020.4125NoNoNoNo23
957x35 Lig etb_on066.1157YesYesYesYes30
961x31 1x35 etb_on6.421412.8648YesYesYesNo45
971x35 7x39 etb_on2.8777839.8961YesNoNoNo55
981x39 7x39 etb_on035.113NoNoNoNo75
991x42 7x42 etb_on8.5505810.3196NoNoNoNo87
1002x57 7x42 etb_on012.8648YesYesNoNo77
1011x39 2x57 etb_on2.9831125.3712NoNoYesYes77
1022x50 7x46 etb_on099.0273NoYesNoNo99
1032x53 7x46 etb_on2.98311100YesYesNoNo89
1042x53 6x48 etb_on079.5583YesYesYesYes88
1057x49 7x53 etb_on076.0477YesYesNoNo99
1062x46 2x50 etb_on9.9462192.3718YesYesNoYes99
1072x39 I1x52 etb_on026.2488NoNoNoNo88
1082x38 2x39 etb_on1.3655329.145NoNoNoNo78
1092x38 4x39 etb_on032.0266NoNoNoNo71
1104x39 4x42 etb_on5.8345654.0481NoNoNoNo17
1113x49 4x42 etb_on056.7688NoYesNoNo87
1123x49 4x41 etb_on066.5106NoYesYesYes85
1134x41 4x45 etb_on5.958790.0607YesYesNoNo56
1144x45 4x48 etb_on093.0154NoNoNoNo63
1155x43 5x461 etb_on046.8441NoNoNoYes66
1165x461 6x52 etb_on051.9491NoYesYesYes68
1172x40 I1x50 etb_on1.7642914.5177YesNoYesNo87
1184x38 4x39 etb_on4.3862620.3759NoYesNoNo61
1192x42 3x46 etb_on1.2000132.4362NoNoNoNo79
1202x43 3x46 etb_on051.13NoNoNoNo89
1212x43 7x53 etb_on052.3733NoNoNoNo89
1222x42 3x49 etb_on033.9867NoNoNoYes78
1232x56 3x32 etb_on012.5357NoYesNoNo66
1242x551 3x28 etb_on052.1027NoNoNoNo55
1253x28 3x29 etb_on2.9530254.3334NoNoYesNo55
1263x29 4x65 etb_on0.082759756.5421YesNoYesNo55
1272x551 3x31 etb_on2.9906349.8574NoNoNoNo55
128E1x51 E1x52 etb_on0.067712424.5228NoNoYesNo27
1293x24 E1x52 etb_on2.7950231.3684NoNoYesNo67
1303x24 3x27 etb_on1.3993933.7307NoNoNoNo65
1313x27 3x31 etb_on036.0784NoNoNoNo55
132E1x49 E1x51 etb_on015.0881NoNoNoNo52
1333x30 3x31 etb_on7.4069912.6088YesYesNoNo65
1342x45 3x42 etb_on014.5615NoNoNoNo98
1353x40 5x461 etb_on016.741NoNoNoYes86
1363x40 5x50 etb_on1.5649113.4206NoNoNoNo89
1373x46 3x50 etb_on050.5083NoNoYesNo99
1383x50 5x58 etb_on048.8335YesNoYesYes99
1393x48 4x41 etb_on023.1332NoNoYesYes65
1403x51 5x57 etb_on4.1981711.8335NoNoYesNo87
1413x54 5x61 etb_on028.2381NoNoNoNo98
1425x58 5x61 etb_on030.2567YesYesNoNo98
1433x54 5x65 etb_on1.3015826.2269NoNoYesNo98
1445x35 5x42 etb_on8.9944722.1751YesYesYesYes34
145E2.P259 Lig etb_on044.2258NoNoYesYes60
146E2.H258 E2.P259 etb_on1.4445342.2658YesYesNoNo46
147E2.M245 Lig etb_on012.3236NoYesYesYes10
148E2.L252 E2.M245 etb_on010.3196NoNoNoYes31
149E2.H258 E2.Q261 etb_on025.3712YesYesNoYes42
1505x33 E2.Q261 etb_on8.2270612.8648NoNoNoYes12
1515x65 6x33 etb_on018.0282YesNoNoNo88
1526x28 6x32 etb_on014.1081NoNoNoNo47
1536x32 6x33 etb_on016.2291NoNoNoNo78
1547x43 7x48 etb_on012.7551NoNoNoNo66
1556x47 7x43 etb_on015.2637NoNoNoNo86
1566x47 7x45 etb_on1.4520617.7576NoNoYesNo89
1577x33 7x36 etb_on010.3196NoNoNoNo55
1586x54 7x33 etb_on1.4407715.3953NoNoNoNo55
1596x54 7x34 etb_on2.8777817.9112NoNoNoNo54
1607x34 Lig etb_on020.4125NoNoYesYes40
161E3.D354 E3.N356 etb_on010.3196NoYesNoNo13
1622x53 3x36 etb_on012.6161YesYesNoNo87
1633x32 3x33 etb_on1.260211.6946NoNoYesNo64

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
1x231x24Shared4.064.060021
1x247x27etb_off4.3766700111
1x277x31etb_off3.8066700121
1x287x35etb_off5.5733300021
1x311x35Shared5.643.6254022
1x317x35etb_off18.226704021
1x32E1.E165etb_off3.600121
1x352x64etb_off3.6604022
1x357x35Shared5.036673.494021
1x427x42Shared5.383334.040021
2x532x56Shared8.673338.821112
2x533x32etb_off5.7701111
2x533x35Shared5.119.0651112
2x537x46Shared5.113333.4851112
2x53Ligetb_off11.4301110
2x59E1x52etb_off12.1400022
2x593x28etb_off5.6333300022
2x60LigShared5.927.0850110
2x63E1x50Shared6.964.640111
E1x50E1x51etb_off3.602112
E1x50E1x52etb_off13.363302112
3x25E1x50Shared8.273334.572121
E1x50E2x50Shared8.706677.8352112
E1x51E1x52Shared9.633.612022
3x25E2x50Shared7.285.462122
3x283x29Shared3.534.4150021
3x294x61etb_off5.7633301012
3x294x65Shared15.417.9451011
3x29Ligetb_off4.9466701010
3x323x33Shared8.136679.4951111
3x32LigShared20.86336.571110
3x334x61Shared11.78.7751112
3x335x43etb_off4.701111
3x33LigShared14.274.641110
3x365x461Shared4.206676.941112
3x366x48Shared6.958.5851111
3x36Ligetb_off4.6833301110
4x614x65Shared7.773336.9951121
4x615x39Shared8.558.7751122
4x65E2x52Shared7.713337.9151112
4x65Ligetb_off4.3101110
E2.I242E2x50etb_off5.4566702022
E2.I243E2x51etb_off3.8066700021
E2.M245E2.Y247Shared3.596.5850111
E2.L252E2.Y247etb_off10.5500021
E2.H258E2.P259Shared9.154.5750021
5x395x43Shared5.644.231121
5x43LigShared9.396676.831110
5x445x47Shared6.075.8951122
5x446x52Shared8.296675.091121
5x476x52Shared17.34678.4851121
6x446x48etb_off14.696701021
6x447x45Shared6.048.461022
6x486x52Shared6.346677.411111
6x487x41Shared8.6466711.021112
6x487x45Shared6.787.911112
6x48LigShared13.27.031110
6x517x37etb_off3.9901112
6x51LigShared5.7833320.5051110
6x52LigShared4.936678.9951110
6x547x34Shared4.116678.8350021
6x55LigShared9.9233323.631010
6x62E3.Q352Shared10.526.27111
6x627x27Shared9.766674.17111
7x23E3.Q352Shared5.4512.2657111
7x317x35Shared7.423334.1050111
7x38Ligetb_off8.0300110
2x532x57etb_off3.5333301112
2x63LigShared5.053335.8150110
E1x50E2.I242etb_off4.3066702112
E2.K248E2.Y247Shared11.943314.330021
6x516x55etb_off4.0501111
6x557x34etb_off9.1301011
6x627x23Shared5.486678.7457111
7x23E3.D354etb_off3.9707112
1x221x23etb_off3.2866700022
7x237x24etb_off3.2507112
6x586x62etb_off3.1833300011
6x627x26Shared3.126672.3457112
1x277x28etb_off3.0966700122
E2.H258E2.I243etb_off3.0933300022
E2.I254E2.M245Shared2.916673.6450111
E2.I254E2x51etb_off2.8533300111
E2.M245NT.P88etb_off2.7966700112
2x602x64etb_off2.7466700112
7x42Ligetb_off2.1400010
3x21E1x50etb_off1.4066700021
7x277x31etb_off1.3833300111
1x221x25etb_off1.3700021
1x251x26etb_off1.3666700112
1x221x26etb_on06.370022
1x24Ligetb_on06.260110
1x272x64etb_on04.280122
1x322x64etb_on07.050122
2x533x36etb_on08.9951111
2x536x48etb_on04.761111
2x562x60etb_on07.4050121
2x592x60etb_on04.9550021
2x607x38etb_on08.50111
2x63E1.E165etb_on011.4750111
2x647x35etb_on012.8950121
E1.E165Ligetb_on08.760110
E1x50Ligetb_on07.0452110
4x61E2x52etb_on04.641122
E2.I243E2.I254etb_on04.4150021
E2.L252E2.M245etb_on04.240021
E2.M245Ligetb_on09.480110
E2.Y247Ligetb_on025.160110
E2.I254Ligetb_on011.730110
E2x51Ligetb_on010.1150010
5x39E2x52etb_on04.231122
E2.P259Ligetb_on05.3450110
5x435x461etb_on05.2751112
5x4616x52etb_on04.91021
6x486x51etb_on07.41111
6x517x38etb_on04.281111
6x58Ligetb_on08.0650010
6x62Ligetb_on03.9157110
E3.Q352Ligetb_on05.1757110
7x23Ligetb_on08.147110
7x27Ligetb_on012.2850110
7x31Ligetb_on08.5250110
7x34Ligetb_on014.570110
7x35Ligetb_on07.8054110
1x25Ligetb_on04.470110
1x277x35etb_on04.230121
2x563x32etb_on07.180121
2x567x38etb_on04.20121
2x577x42etb_on03.0951021
1x231x26etb_on02.4550022
1x257x28etb_on02.320112
1x281x31etb_on01.860022
3x21E1x52etb_on01.5050022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
etb_off 5XPR-ETB-Bosentan
6K1Q-ETB-IRL2500
5X93-ETB-K-8794
etb_on 8HCX-ETB-Endothelin-1-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
8HBD-ETB-IRL1620-Gi1/&β;1/&γ;2
Network Difference
Value etb_off etb_on
Imin 3.44 3.615
Number of Linked Nodes 308 296
Number of Specific Nodes 15 (4.87%) 3  (1.01%)
Number of Shared Nodes 293 (95.13%) 293  (98.99%)
Number of Links 346 327
Number of Specific Links 171 (49.42%) 152  (46.48%)
Number of Shared Links 175 (50.58%) 175  (53.52%)
Number of Hubs 45 33
Number of Specific Hubs 23 (51.11%) 11  (33.33%)
Number of Shared Hubs 22 (48.89%) 22  (66.67%)
Average % Shared Neighbours (Jaccard) 37.41
Average % Shared Neighbours (Otsuka) 47.62
Average % Shared Neighbours (Overlap Coefficient) 56.57
Average % Shared Cliques (k3-6) 54.07
Graphlets Similarity 0.64306
Paths Difference
Value etb_off etb_on
Number Of Nodes in MetaPath 87 96
Specific Nodes in MetaPath 34 (39.08%) 43  (44.79%)
Shared Nodes in MetaPath 293 (95.13%) 293  (95.13%)
Number Of Links MetaPath 91 101
Specific Links in MetaPath 62 (68.13%) 72  (71.29%)
Shared Links in MetaPath 175 (50.58%) 175  (50.58%)
Number of Shortest Paths 67729 51476
Length Of Smallest Path 3 3
Average Path Length 13.5935 12.9574
Length of Longest Path 33 36
Minimum Path Strength 0.551667 0.8
Average Path Strength 5.83392 5.81014
Maximum Path Strength 17.0317 22.8325
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.931482 0.931492
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.57143 3.125
Average % Of Corr. Nodes 49.5004 53.8556
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 43.6572 38.0346
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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