Orange: nodes, hubs and links specific of at1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of at1_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 at1_off Avg Int. Strength at1_on Avg Int. Strength at1_off Num Of Links at1_on Num Of Links ConSurf
11x31 at1_off3.31255.16333433
21x43 at1_off6.186257.70667436
31x47 at1_off3.643.14436
4I1x50 at1_off3.8434.27527
52x40 at1_off3.84755.15667438
62x44 at1_off6.788754.19667435
72x53 at1_off10.9751.56516
83x50 at1_off4.677.715429
95x49 at1_off5.361.44416
105x54 at1_off6.42254.83428
116x30 at1_off6.251256.51333436
126x37 at1_off5.231254.75427
136x44 at1_off6.755.015529
146x63 at1_off2.7351.49411
157x30 at1_off3.6573.795524
167x32 at1_off4.383.88431
177x36 at1_off2.562.94416
187x42 at1_off7.4926.34333537
197x46 at1_off11.61124.63419
207x52 at1_off5.167.28428
21Lig Shared11.48110.832410250
221x35 Shared4.7723.885566
231x39 Shared6.7145.398557
241x60 Shared2.546256.816454
252x41 Shared1.9553.2175446
262x42 Shared5.9295.04557
272x50 Shared8.08755.61459
282x57 Shared4.95.73448
292x60 Shared9.12757.2025647
302x63 Shared5.656257.5575445
31E1.Y92 Shared5.6858.076554
32E1x50 Shared7.4907111.054759
33E1x52 Shared8.8267.568556
343x34 Shared4.9184.4075545
353x51 Shared6.3387.086558
364x50 Shared4.878755.7175449
375x47 Shared7.23755.795448
385x50 Shared2.76753.1325448
395x58 Shared7.35255.368459
406x45 Shared8.1798.585545
416x48 Shared9.661254.906458
42NT.P19 at1_on0.9153.3125244
431x28 at1_on9.166677.3075344
441x46 at1_on3.421.8025148
451x53 at1_on7.2652.73249
462x46 at1_on3.764.3125249
473x37 at1_on5.511675.62357
48I2x57 at1_on4.85.82156
49E2x52 at1_on11.16178.0725344
50E2.H183 at1_on3.2859.3925243
51E2.Y184 at1_on8.188338.1975344
525x43 at1_on3.111.98245
535x62 at1_on5.208335.268355
54I3.Y226 at1_on04.6775040
556x34 at1_on6.40256.678256
566x43 at1_on6.896677.275346
576x49 at1_on2.946675.2025345
586x51 at1_on7.883336.46366
597x53 at1_on7.9455.706359
608x50 at1_on1.414.1075248
618x53 at1_on4.587.37265
   
Orange: nodes, hubs and links specific of at1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of at1_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 at1_off Recurrence at1_on Recurrence at1_off Hub1? at1_on Hub1? at1_off Hub2? at1_on Hub2? ConSurf1 ConSurf2
11x39 Lig at1_off66.44860YesYesYesYes70
23x33 Lig at1_off30.62046.32137NoNoYesYes40
37x42 Lig at1_off91.77490YesNoYesYes70
4E2x52 Lig at1_off38.69448.94285NoYesYesYes40
5E2.Y184 E2x52 at1_off32.39440.173624NoYesNoYes44
66x62 E2.Y184 at1_off27.49513.12767NoNoNoYes34
76x58 6x62 at1_off26.37830NoNoNoNo43
86x58 7x30 at1_off23.88550NoNoYesNo44
96x61 7x30 at1_off15.5742.12506NoNoYesNo24
106x61 7x27 at1_off14.16720NoNoNoNo23
117x27 NT.C18 at1_off12.75410NoNoNoNo38
121x35 1x39 at1_off68.45710.777639YesYesYesYes67
131x28 1x30 at1_off28.36820.00733622NoYesNoNo46
141x30 1x31 at1_off30.26561.05397NoNoYesNo63
151x31 7x35 at1_off35.07540YesNoNoNo35
161x28 7x32 at1_off28.83412.12017NoYesYesNo41
171x31 7x32 at1_off32.62890YesNoYesNo31
181x31 7x36 at1_off31.66320YesNoYesNo36
191x35 7x36 at1_off35.98561.06375YesYesYesNo66
201x28 7x28 at1_off53.3491.05886NoYesNoNo44
211x39 2x57 at1_off16.34535.14758YesYesYesYes78
221x43 2x57 at1_off15.12978.32416YesNoYesYes68
232x53 2x57 at1_off21.57470YesNoYesYes68
242x53 7x46 at1_off31.64160YesNoYesNo69
252x50 7x46 at1_off40.4192.55545YesYesYesNo99
266x48 7x42 at1_off83.4850YesYesYesNo87
273x43 6x44 at1_off32.60420NoNoYesNo89
283x43 6x41 at1_off32.15380NoNoNoNo88
295x58 6x41 at1_off64.11321.02952YesYesNoNo98
303x46 6x37 at1_off44.17060NoNoYesNo97
312x43 3x46 at1_off24.12611.6482NoNoNoNo89
322x43 7x53 at1_off21.19520NoNoNoYes89
336x44 6x45 at1_off91.10850YesNoYesYes95
346x41 6x45 at1_off33.50510NoNoYesYes85
355x54 6x45 at1_off54.63860YesNoYesYes85
365x54 5x58 at1_off35.77270YesNoYesYes89
373x33 4x57 at1_off29.60854.233NoNoNoNo47
383x34 4x57 at1_off28.80630YesYesNoNo57
392x45 4x46 at1_off22.96925.92522NoNoNoNo97
402x42 4x46 at1_off22.97840YesYesNoNo77
412x42 4x42 at1_off32.63810YesYesNoNo77
422x41 4x42 at1_off31.30231.09799YesYesNoNo67
432x41 I1x50 at1_off27.25760YesYesYesNo67
441x58 I1x50 at1_off17.52380NoNoYesNo47
451x58 1x59 at1_off16.21572.55789NoNoNoNo44
461x55 1x59 at1_off14.80272.55789NoNoNoNo34
471x55 1x56 at1_off11.95820NoNoNoNo37
481x56 1x60 at1_off10.52660NoNoYesYes74
493x50 6x37 at1_off56.97410YesNoYesNo97
503x49 3x50 at1_off18.16560NoNoYesNo89
512x38 3x49 at1_off13.02260NoNoNoNo78
522x42 3x46 at1_off27.72653.29396YesYesNoNo79
537x45 7x46 at1_off26.79170NoNoYesNo99
547x45 7x49 at1_off24.05820NoNoNoNo99
552x60 Lig at1_off41.85054.99597YesYesYesYes70
562x60 E1x50 at1_off11.22080YesYesYesYes79
572x60 2x63 at1_off25.61630.20786YesYesYesYes75
582x63 E2.V179 at1_off24.3760YesYesNoNo53
59E2.I172 E2.V179 at1_off22.03131.06375NoNoNoNo53
60E2.I172 E2.I177 at1_off20.74170NoNoNoNo51
61E1x49 E2.I177 at1_off18.38462.1544NoNoNoNo51
62E1x49 E2.T178 at1_off16.00590NoNoNoNo54
63E2.T178 E2.V169 at1_off13.35880NoNoNoNo45
643x22 E2.V169 at1_off12.0263.20348NoNoNoNo35
652x46 3x42 at1_off34.83790NoYesNoNo97
663x42 4x49 at1_off32.15387.68102NoNoNoNo77
673x41 4x49 at1_off29.46350NoNoNoNo57
683x44 5x54 at1_off14.47570NoNoYesNo78
693x44 5x50 at1_off11.2273.07877NoNoYesYes78
703x47 5x57 at1_off12.39321.05886NoNoNoNo97
713x50 6x30 at1_off34.50780YesNoYesNo96
723x51 5x57 at1_off11.3350YesYesNoNo87
733x54 6x30 at1_off21.40810NoNoYesNo86
743x54 5x61 at1_off15.99670.141834NoNoNoNo88
753x41 4x52 at1_off16.45331.09799NoNoNoNo54
764x48 4x52 at1_off13.7260NoNoNoNo34
775x61 6x34 at1_off13.30640NoNoNoYes86
786x36 7x53 at1_off12.35620NoNoNoYes89
796x40 7x49 at1_off11.76690NoNoNoNo89
807x38 Lig at1_off11.486.87893NoNoYesYes60
816x51 7x38 at1_off10.14720.838774NoYesNoNo66
827x25 7x28 at1_off49.9090NoNoNoNo24
837x23 7x25 at1_off42.17131.05642NoNoNoNo42
847x23 7x26 at1_off38.29330NoNoNoNo41
857x26 E3.I271 at1_off34.4094.20365NoNoNoNo11
866x60 E3.I271 at1_off30.51861.42323NoNoNoNo31
876x60 E3.I270 at1_off22.71931.0662NoNoNoNo32
886x63 E3.I270 at1_off18.81040YesNoNoNo12
892x38 4x38 at1_off10.59760NoNoNoNo77
902x63 E1.Y92 at1_off12.01680.39371YesYesYesYes54
912x53 7x42 at1_off16.34840YesNoYesNo67
926x44 7x45 at1_off43.50420YesNoNoNo99
931x35 7x35 Shared32.400610.7304YesYesNoNo65
941x50 2x50 Shared10.9925100NoNoYesYes99
956x44 6x48 Shared83.836794.3927YesNoYesYes98
965x58 6x37 Shared10039.9139YesYesYesNo97
973x34 4x50 Shared25.381816.8342YesYesYesYes59
982x45 4x50 Shared23.487514.2885NoNoYesYes99
992x46 2x50 Shared37.515853.5911NoYesYesYes99
1002x50 7x49 Shared17.388153.4639YesYesNoNo99
1013x37 3x41 Shared10.458823.7229NoYesNoNo75
1023x47 5x54 Shared10.825994.6715NoNoYesNo98
1035x62 6x34 Shared10.588335.2897NoYesNoYes56
1042x63 E1x50 at1_on3.0851814.4744YesYesYesYes59
1052x63 Lig at1_on014.939YesYesYesYes50
106E2.H183 Lig at1_on010.2071NoYesYesYes30
107NT.D16 NT.P19 at1_on012.4691NoNoNoYes04
108Lig NT.D16 at1_on013.4766YesYesNoNo00
1097x35 Lig at1_on011.5521NoNoYesYes50
1102x57 7x42 at1_on011.2244YesYesYesNo87
1113x36 7x42 at1_on010.4199NoNoYesNo77
1123x36 Lig at1_on080.9845NoNoYesYes70
1132x46 7x53 at1_on054.5986NoYesNoYes99
1143x50 7x53 at1_on055.2784YesNoNoYes99
1153x50 5x58 at1_on055.6257YesNoYesYes99
1163x47 5x58 at1_on2.6162395.0089NoNoYesYes99
1175x54 6x44 at1_on094.5174YesNoYesNo89
1183x36 6x48 at1_on1.582786.3326NoNoYesYes78
1197x49 7x53 at1_on054.5815NoNoNoYes99
1206x40 7x53 at1_on055.99NoNoNoYes89
1215x58 6x40 at1_on057.4646YesYesNoNo98
1221x50 7x50 at1_on5.5070580.965NoNoNoNo99
1231x53 7x55 at1_on046.8882NoYesNoNo96
1241x53 7x50 at1_on073.7461NoYesNoNo99
1251x60 8x53 at1_on3.8873322.1529YesYesNoYes45
1268x50 8x53 at1_on032.1767NoYesNoYes85
1277x55 8x50 at1_on039.6718NoNoNoYes68
1281x53 1x57 at1_on020.3238NoYesNoNo97
1291x57 2x44 at1_on0.055533317.8001NoNoYesNo75
1302x40 I1x50 at1_on4.4025510.1998YesNoYesNo87
1312x44 I1x50 at1_on2.8599612.7381YesNoYesNo57
1323x34 4x53 at1_on1.2741821.0892YesYesNoNo58
1333x41 4x53 at1_on021.9671NoNoNoNo58
1343x37 Lig at1_on025.6156NoYesYesYes70
1352x42 4x45 at1_on1.4747211.3345YesYesNoNo75
1362x38 I2x57 at1_on013.1734NoNoNoYes76
1373x51 5x61 at1_on027.2125YesYesNoNo88
1385x61 5x65 at1_on027.8458NoNoNoNo88
1395x65 6x34 at1_on029.4647NoNoNoYes86
1405x62 6x37 at1_on039.2268NoYesYesNo57
1413x52 I2x57 at1_on021.2066NoNoNoYes56
1426x48 6x52 at1_on013.2688YesYesNoNo88
1431x46 1x50 at1_on017.8001NoYesNoNo89
1441x45 1x46 at1_on010.1998NoNoNoYes58
1453x51 3x52 at1_on5.9513221.7935YesYesNoNo85

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
1x39Ligat1_off9.99500010
2x60LigShared27.5416.211110
3x29Ligat1_off3.34501010
3x32LigShared15.233.931110
3x33LigShared13.425.280110
4x65Ligat1_off24.4701010
E2x52LigShared5.886.190110
7x38LigShared9.156.410110
7x42Ligat1_off3.7601010
NT.K20NT.R23at1_off6.1900021
7x31NT.A21Shared4.634.630112
1x32NT.R23at1_off5.3401021
E1.Y92NT.R23Shared6.1757.21111
1x32E1.Y92Shared6.7054.131021
1x351x39Shared7.256.040021
1x352x64at1_off8.3600022
1x357x35Shared3.395.080021
1x392x57Shared7.6158.210012
1x392x61Shared3.3352.670012
1x397x39Shared5.3754.030012
2x532x57at1_off6.701022
2x533x32at1_off6.5501021
2x533x35Shared13.291.561022
2x537x42at1_off14.4401021
2x602x63Shared4.823.861111
2x60E1x50at1_off10.3101112
2x603x28Shared3.893.891112
2x603x29at1_off4.9401111
2x60E2x50at1_off3.26501112
2x63E1.Y92Shared6.4510.921111
2x63E1x50Shared8.210.611112
2x64E1.Y92Shared5.627.490021
7x35E1.Y92at1_off3.47500111
E1x50E2x50Shared11.115.671122
3x294x65Shared13.83515.811011
3x327x42Shared5.053.791111
3x334x57Shared3.266.520112
3x357x42at1_off6.97501021
3x366x48Shared13.673.420112
3x373x41Shared3.616.190112
3x374x56Shared9.348.010112
3x375x43Shared3.5854.780111
4x64E2x52at1_off14.7100021
E2.I172E2.V179Shared5.3753.070021
E2.Y184E2x52Shared12.8954.130111
6x62E2.Y184Shared9.58512.40021
6x487x42at1_off7.23500021
6x516x55Shared5.4756.850112
6x517x37Shared8.8958.210112
6x517x38Shared9.283.980111
6x586x62at1_off9.1400012
6x587x34at1_off5.54500011
6x617x30Shared4.614.610112
E2.E185E2.H183Shared4.314.920021
6x617x27at1_off3.2500112
2x63E2.V179at1_off3.15501111
E3.R272NT.D17at1_off2.9800021
6x587x30at1_off2.9200012
7x307x31at1_off2.9200021
5x405x43at1_off2.61500021
1x317x35at1_off2.5404421
E2.F170E2.H183Shared2.263.390121
5x36E2.Y184Shared2.0854.170021
4x61Ligat1_off2.0200010
3x304x61at1_off1.7900021
2x563x28at1_off1.6800022
5x395x42at1_off1.47500022
NT.D17NT.S16at1_off1.4700012
NT.P19NT.S16at1_off0.8900022
E2.V179E2x51at1_off0.8500111
E2.F170NT.I14at1_on010.050122
E2.H183NT.I14at1_on013.260112
NT.D16NT.P19at1_on06.440112
LigNT.D16at1_on07.241101
LigNT.D17at1_on04.211101
LigNT.R23at1_on03.761101
1x397x38at1_on06.040011
2x562x60at1_on04.850021
2x577x42at1_on08.210021
2x63Ligat1_on04.841110
E1.Y92Ligat1_on010.641110
3x334x61at1_on03.420111
3x367x42at1_on07.030111
3x36Ligat1_on04.870110
3x375x42at1_on04.990112
3x37Ligat1_on04.130110
4x645x36at1_on04.580022
4x65E2x52at1_on017.11011
E2.V179Ligat1_on04.670110
E2x51Ligat1_on04.950010
5x39E2x52at1_on04.870021
E2.H183Ligat1_on0160110
E2.Y184Ligat1_on012.090110
5x436x51at1_on07.860111
5x436x55at1_on010.510112
5x43Ligat1_on024.770110
6x517x34at1_on03.940111
6x51Ligat1_on07.920110
6x58Ligat1_on014.050010
6x61E3.I271at1_on05.890112
6x61Ligat1_on05.010110
7x31Ligat1_on022.070110
7x34Ligat1_on013.980110
7x35Ligat1_on07.630110
1x311x35at1_on02.944422
3x304x57at1_on01.710022
5x395x40at1_on01.710022
NT.K20NT.P19at1_on01.670022

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
at1_off 4YAY-AT1-ZD-7155
4ZUD-AT1-Olmesartan
at1_on 7F6G-AT1-SAR1-AngII-Gq/β1/γ2
Network Difference
Value at1_off at1_on
Imin 3.255 3.26
Number of Linked Nodes 281 289
Number of Specific Nodes 21 (7.47%) 29  (10.03%)
Number of Shared Nodes 260 (92.53%) 260  (89.97%)
Number of Links 315 325
Number of Specific Links 163 (51.75%) 173  (53.23%)
Number of Shared Links 152 (48.25%) 152  (46.77%)
Number of Hubs 41 41
Number of Specific Hubs 20 (48.78%) 20  (48.78%)
Number of Shared Hubs 21 (51.22%) 21  (51.22%)
Average % Shared Neighbours (Jaccard) 33.55
Average % Shared Neighbours (Otsuka) 42.57
Average % Shared Neighbours (Overlap Coefficient) 52.06
Average % Shared Cliques (k3-6) 76.00
Graphlets Similarity 0.598439
Paths Difference
Value at1_off at1_on
Number Of Nodes in MetaPath 96 53
Specific Nodes in MetaPath 63 (65.63%) 20  (37.74%)
Shared Nodes in MetaPath 260 (92.53%) 260  (92.53%)
Number Of Links MetaPath 103 53
Specific Links in MetaPath 92 (89.32%) 42  (79.25%)
Shared Links in MetaPath 152 (48.25%) 152  (48.25%)
Number of Shortest Paths 82438 77451
Length Of Smallest Path 3 3
Average Path Length 15.111 15.2114
Length of Longest Path 35 33
Minimum Path Strength 0.71 1.21
Average Path Strength 6.3654 5.55632
Maximum Path Strength 21.385 23.42
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.911833 0.934926
Maximum Path Correlation 0.985 1
Minimum % Of Corr. Nodes 3.0303 4.34783
Average % Of Corr. Nodes 36.3259 50.1002
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 47.8199 41.8676
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 at1_off_on.zip<



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