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
42x53 at1_off10.9751.56516
54x38 at1_off2.35252.32427
65x44 at1_off5.033753.79424
75x54 at1_off6.42254.83428
86x37 at1_off5.231254.75427
96x44 at1_off6.755.015529
106x63 at1_off2.921251.49411
117x30 at1_off3.6573.795524
127x32 at1_off4.383.88431
137x36 at1_off2.562.94416
147x42 at1_off7.4926.34333537
157x46 at1_off11.61124.63419
167x52 at1_off5.167.28428
171x35 Shared4.7723.885566
181x39 Shared6.7145.398557
191x60 Shared2.056.816454
202x42 Shared5.9295.04557
212x50 Shared8.08755.61459
222x57 Shared4.95.73448
232x60 Shared9.12757.2025647
242x63 Shared5.656257.5575445
25E1.Y92 Shared5.6858.076554
26E1x50 Shared7.4907111.054759
27E1x52 Shared8.8267.568556
283x34 Shared4.9184.4075545
293x51 Shared6.3387.086558
304x50 Shared4.878755.7175449
31E2x52 Shared9.173758.0725444
325x47 Shared7.841255.795448
335x50 Shared3.128753.1325448
345x58 Shared7.35255.368459
356x45 Shared8.2868.585545
366x48 Shared8.3644.906558
376x51 Shared6.706256.46466
38Lig Shared11.48110.836410250
39NT.P19 at1_on1.396673.3125344
401x28 at1_on9.166677.3075344
411x46 at1_on3.421.8025148
421x53 at1_on5.866672.73349
432x41 at1_on1.861673.2175346
442x46 at1_on3.764.3125249
453x37 at1_on6.308335.62357
46I2x57 at1_on1.65.82156
47E2.H183 at1_on3.0759.4025143
48E2.Y184 at1_on8.188338.1975344
495x43 at1_on4.29511.98245
505x62 at1_on4.9455.268255
51I3.Y226 at1_on04.6775040
526x34 at1_on5.138336.678356
536x43 at1_on6.896677.275346
546x49 at1_on2.946675.2025345
557x53 at1_on7.9455.706359
568x50 at1_on1.414.1075248
578x53 at1_on2.41257.37265
   
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
1E1x49 E2.I177 at1_off10.90522.1544NoNoNoNo51
2E2.I172 E2.I177 at1_off12.83930NoNoNoNo51
36x61 7x27 at1_off10.33250NoNoNoNo23
46x61 7x30 at1_off11.48632.12506NoNoYesNo24
56x58 7x30 at1_off18.31950NoNoYesNo44
66x58 6x62 at1_off20.33210NoNoNoNo43
76x62 E2.Y184 at1_off21.21223.12767NoNoNoYes34
8E2.Y184 E2x52 at1_off25.17810.173624NoYesYesYes44
9E2x52 Lig at1_off32.14298.94285YesYesYesYes40
102x60 Lig at1_off34.65394.99597YesYesYesYes70
112x60 2x63 at1_off20.78810.20786YesYesYesYes75
122x63 E2.V179 at1_off18.80940YesYesNoNo53
13E2.I172 E2.V179 at1_off16.9071.06375NoNoNoNo53
141x28 1x30 at1_off24.63520.00733622NoYesNoNo46
151x30 1x31 at1_off26.30221.05397NoNoYesNo63
161x31 7x35 at1_off29.99240YesNoNoNo35
171x28 7x32 at1_off25.10822.12017NoYesYesNo41
181x31 7x32 at1_off28.44210YesNoYesNo31
191x28 7x28 at1_off46.36921.05886NoYesNoNo44
201x35 7x36 at1_off31.10791.06375YesYesYesNo66
211x31 7x36 at1_off27.71890YesNoYesNo36
221x39 Lig at1_off59.22550YesYesYesYes70
231x39 2x57 at1_off10.59985.14758YesYesYesYes78
241x43 2x57 at1_off12.82458.32416YesNoYesYes68
252x50 7x46 at1_off27.96912.55545YesYesYesNo99
262x53 7x46 at1_off23.40940YesNoYesNo69
272x53 7x42 at1_off13.52010YesNoYesNo67
287x42 Lig at1_off81.0570YesNoYesYes70
291x53 7x53 at1_off41.71620NoYesNoYes99
302x43 7x53 at1_off85.71850NoNoNoYes89
312x43 3x46 at1_off87.58911.6482NoNoNoNo89
322x42 3x46 at1_off20.69053.29396YesYesNoNo79
332x42 4x46 at1_off19.11690YesYesNoNo77
342x45 4x46 at1_off19.11275.92522NoNoNoNo97
353x34 4x57 at1_off23.0870YesYesNoNo57
363x33 4x57 at1_off23.61724.233NoNoNoNo47
373x33 Lig at1_off24.23446.32137NoNoYesYes40
383x46 6x37 at1_off79.02530NoNoYesNo97
395x54 5x58 at1_off34.84480YesNoYesYes89
405x54 6x45 at1_off45.93020YesNoYesYes85
416x44 6x45 at1_off81.13340YesNoYesYes95
426x48 7x42 at1_off79.73150YesYesYesNo87
435x58 6x41 at1_off65.0281.02952YesYesNoNo98
446x41 6x45 at1_off33.4450NoNoYesYes85
453x43 6x41 at1_off32.61370NoNoNoNo88
463x43 6x44 at1_off32.91910NoNoYesNo89
472x40 I1x48 at1_off16.20932.55545NoNoNoNo85
482x38 3x49 at1_off13.87220NoNoNoNo78
493x49 3x50 at1_off17.39270NoNoNoNo89
503x50 6x37 at1_off20.85380NoNoYesNo97
517x45 7x49 at1_off17.38210NoNoNoNo99
527x45 7x46 at1_off21.14440NoNoYesNo99
536x44 7x45 at1_off33.93070YesNoNoNo99
543x41 4x49 at1_off20.83470NoNoNoNo57
553x42 4x49 at1_off22.74137.68102NoNoNoNo77
562x46 3x42 at1_off24.64370NoYesNoNo97
573x54 6x30 at1_off19.16990NoNoNoNo86
586x30 6x31 at1_off21.33740NoNoNoNo64
596x31 6x32 at1_off25.57260.00733622NoNoNoNo47
606x32 6x35 at1_off33.40260NoNoNoNo75
616x35 7x55 at1_off35.53830NoNoNoNo56
626x36 7x55 at1_off39.80960NoNoNoNo86
636x36 7x53 at1_off43.73940NoNoNoYes89
643x54 5x61 at1_off14.80740.141834NoNoNoNo88
652x38 4x38 at1_off12.22220NoNoYesNo77
663x41 4x52 at1_off11.65381.09799NoNoNoNo54
675x61 6x34 at1_off12.640NoNoNoYes86
686x60 E3.I271 at1_off26.47611.42323NoNoNoNo31
697x26 E3.I271 at1_off29.87574.20365NoNoNoNo11
707x23 7x26 at1_off33.27110NoNoNoNo41
717x23 7x25 at1_off36.66231.05642NoNoNoNo42
727x25 7x28 at1_off43.43190NoNoNoNo24
736x60 E3.I270 at1_off19.66411.0662NoNoNoNo32
746x63 E3.I270 at1_off16.25170YesNoNoNo12
751x60 I1x48 at1_off14.03330YesYesNoNo45
761x35 1x39 at1_off60.35160.777639YesYesYesYes67
772x53 2x57 at1_off19.50710YesNoYesYes68
781x35 7x35 Shared28.401810.7304YesYesNoNo65
792x45 4x50 Shared19.471114.2885NoNoYesYes99
803x34 4x50 Shared20.775416.8342YesYesYesYes59
815x58 6x37 Shared10039.9139YesYesYesNo97
826x44 6x48 Shared83.850194.3927YesNoYesYes98
831x57 2x44 Shared35.589217.8001NoNoNoNo75
841x53 1x57 Shared37.724820.3238NoYesNoNo97
852x44 I1x50 Shared31.330612.7381NoNoNoNo57
862x40 I1x50 Shared20.55910.1998NoNoNoNo87
872x46 2x50 Shared26.541853.5911NoYesYesYes99
882x50 7x49 Shared12.425853.4639YesYesNoNo99
892x63 E1x50 at1_on2.0974714.4744YesYesYesYes59
902x63 Lig at1_on014.939YesYesYesYes50
91E2.H183 Lig at1_on010.2071NoYesYesYes30
92NT.D16 NT.P19 at1_on012.4691NoNoNoYes04
93Lig NT.D16 at1_on013.4766YesYesNoNo00
947x35 Lig at1_on011.5521NoNoYesYes50
952x57 7x42 at1_on011.2244YesYesYesNo87
963x36 7x42 at1_on010.4199NoNoYesNo77
973x36 Lig at1_on080.9845NoNoYesYes70
981x50 2x50 at1_on7.78546100NoNoYesYes99
992x46 7x53 at1_on054.5986NoYesNoYes99
1003x50 7x53 at1_on055.2784NoNoNoYes99
1013x50 5x58 at1_on055.6257NoNoYesYes99
1023x47 5x58 at1_on1.8175395.0089NoNoYesYes99
1033x47 5x54 at1_on6.4599694.6715NoNoYesNo98
1045x54 6x44 at1_on094.5174YesNoYesNo89
1053x36 6x48 at1_on1.1091886.3326NoNoYesYes78
1067x49 7x53 at1_on054.5815NoNoNoYes99
1076x40 7x53 at1_on055.99NoNoNoYes89
1085x58 6x40 at1_on057.4646YesYesNoNo98
1091x50 7x50 at1_on3.9001580.965NoNoNoNo99
1101x53 7x55 at1_on046.8882NoYesNoNo96
1111x53 7x50 at1_on073.7461NoYesNoNo99
1121x60 8x53 at1_on5.7961522.1529YesYesNoYes45
1138x50 8x53 at1_on032.1767NoYesNoYes85
1147x55 8x50 at1_on039.6718NoNoNoYes68
1153x34 4x53 at1_on0.87164921.0892YesYesNoNo58
1163x41 4x53 at1_on021.9671NoNoNoNo58
1173x37 3x41 at1_on7.3697823.7229NoYesNoNo75
1183x37 Lig at1_on025.6156NoYesYesYes70
1192x42 4x45 at1_on1.0413111.3345YesYesNoNo75
1202x38 I2x57 at1_on013.1734NoNoNoYes76
1213x51 5x61 at1_on027.2125YesYesNoNo88
1225x61 5x65 at1_on027.8458NoNoNoNo88
1235x65 6x34 at1_on029.4647NoNoNoYes86
1245x62 6x34 at1_on6.0697335.2897NoYesNoYes56
1255x62 6x37 at1_on039.2268NoYesYesNo57
1263x52 I2x57 at1_on021.2066NoNoNoYes56
1276x48 6x52 at1_on013.2688YesYesNoNo88
1281x46 1x50 at1_on017.8001NoYesNoNo89
1291x45 1x46 at1_on010.1998NoNoNoYes58
1303x51 3x52 at1_on0.77197221.7935YesYesNoNo85

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
NT.K20NT.R23at1_off4.33500021
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
1x39Ligat1_off9.99500010
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
2x60LigShared27.5416.211110
2x63E1.Y92Shared6.4510.921111
2x63E1x50Shared8.210.611112
2x63E2.V179at1_off3.15501111
2x64E1.Y92Shared5.627.490021
7x35E1.Y92at1_off3.47500111
E1x50E2x50Shared11.115.671122
3x294x65Shared13.83515.811011
3x29Ligat1_off3.34501010
3x327x42Shared5.053.791111
3x32LigShared15.233.931110
3x334x57Shared3.266.520112
3x33LigShared13.425.280110
3x357x42at1_off6.97501021
3x366x48Shared13.673.420112
3x373x41Shared3.616.190112
3x374x56Shared9.348.010112
3x375x43Shared5.9754.780111
4x64E2x52at1_off14.7100021
4x65E2x52Shared3.2117.11011
4x65Ligat1_off24.4701010
E2.I172E2.V179Shared5.3753.070021
E2.Y184E2x52Shared12.8954.130111
E2x52LigShared5.886.191110
6x62E2.Y184Shared9.58512.40021
5x395x42at1_off3.68500022
6x486x51at1_off3.17500021
6x487x42at1_off7.23500021
6x516x55Shared5.4756.850112
6x517x37Shared8.8958.210112
6x517x38Shared9.283.980111
6x586x62at1_off9.1400012
6x587x34at1_off5.54500011
6x617x27at1_off3.2500112
6x617x30Shared4.614.610112
7x38LigShared9.156.410110
7x42Ligat1_off3.7601010
E2.E185E2.H183Shared3.0754.920021
E3.R272NT.D17at1_off2.9800021
6x587x30at1_off2.9200012
7x307x31at1_off2.9200021
5x405x43at1_off2.61500021
1x317x35at1_off2.5403421
4x64E2.E185at1_off2.4600022
5x36E2.Y184Shared2.0854.170021
4x61Ligat1_off2.0200010
3x304x61at1_off1.7900021
2x563x28at1_off1.6800022
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_on07.251101
LigNT.D17at1_on04.221101
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
E2.F170E2.H183at1_on03.390121
E2.V179Ligat1_on04.670110
E2x51Ligat1_on04.950010
5x39E2x52at1_on04.870021
E2.H183Ligat1_on016.040110
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_on02.943422
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/&β;1/&γ;2
Network Difference
Value at1_off at1_on
Imin 3.12 3.26
Number of Linked Nodes 281 289
Number of Specific Nodes 20 (7.12%) 28  (9.69%)
Number of Shared Nodes 261 (92.88%) 261  (90.31%)
Number of Links 312 325
Number of Specific Links 159 (50.96%) 172  (52.92%)
Number of Shared Links 153 (49.04%) 153  (47.08%)
Number of Hubs 38 41
Number of Specific Hubs 16 (42.11%) 19  (46.34%)
Number of Shared Hubs 22 (57.89%) 22  (53.66%)
Average % Shared Neighbours (Jaccard) 33.81
Average % Shared Neighbours (Otsuka) 43.30
Average % Shared Neighbours (Overlap Coefficient) 53.14
Average % Shared Cliques (k3-6) 76.06
Graphlets Similarity 0.58362
Paths Difference
Value at1_off at1_on
Number Of Nodes in MetaPath 81 53
Specific Nodes in MetaPath 50 (61.73%) 22  (41.51%)
Shared Nodes in MetaPath 261 (92.88%) 261  (92.88%)
Number Of Links MetaPath 88 53
Specific Links in MetaPath 77 (87.50%) 42  (79.25%)
Shared Links in MetaPath 153 (49.04%) 153  (49.04%)
Number of Shortest Paths 97674 77451
Length Of Smallest Path 3 3
Average Path Length 17.139 15.2114
Length of Longest Path 39 33
Minimum Path Strength 0.745 1.21
Average Path Strength 6.44623 5.55663
Maximum Path Strength 21.385 23.42
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.914387 0.934925
Maximum Path Correlation 0.985 1
Minimum % Of Corr. Nodes 2.7027 4.34783
Average % Of Corr. Nodes 33.0347 50.1002
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 43.1616 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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