Orange: nodes, hubs and links specific of alpha_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of alpha_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 alpha_off Avg Int. Strength alpha_on Avg Int. Strength alpha_off Num Of Links alpha_on Num Of Links ConSurf
11x34 alpha_off00524
21x45 alpha_off00425
31x46 alpha_off00428
41x52 alpha_off00437
51x54 alpha_off00437
6E1x51 alpha_off250413
73x37 alpha_off00437
83x51 alpha_off2525438
9I2x57 alpha_off2562.5436
104x57 alpha_off00438
11I3 alpha_off250903
126x41 alpha_off00438
137x39 alpha_off025436
148x54 alpha_off00437
15NT alpha_off250400
166x31 alpha_off00420
171x50 Shared025459
182x42 Shared87.525658
192x50 Shared12.550459
20E1x50 Shared2537.5578
213x28 Shared87.512.5455
223x49 Shared5025549
233x50 Shared5025549
24I2x53 Shared5062.5567
25E2 Shared100501294
265x47 Shared5095.8333458
275x58 Shared095.8333569
286x44 Shared5062.5559
296x48 Shared100100578
306x51 Shared10058.3333557
316x52 Shared7591.6667557
32E3 Shared62.525853
337x42 Shared7595.8333677
347x49 Shared2583.3333449
357x53 Shared083.3333549
368x50 Shared5025458
37Lig Shared10010013110
38I1x50 alpha_on00358
392x56 alpha_on00248
403x43 alpha_on025348
413x52 alpha_on025245
423x56 alpha_on00246
435x39 alpha_on37.537.5348
446x49 alpha_on00247
   
Orange: nodes, hubs and links specific of alpha_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of alpha_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 alpha_off Recurrence alpha_on Recurrence alpha_off Hub1? alpha_on Hub1? alpha_off Hub2? alpha_on Hub2? ConSurf1 ConSurf2
12x53 2x56 alpha_off35.53010NoNoNoYes88
22x53 7x46 alpha_off34.98388.4583NoNoNoNo89
31x46 7x46 alpha_off17.27280YesNoNoNo89
47x49 7x53 alpha_off60.42340YesYesYesYes99
51x50 2x47 alpha_off13.41418.4583YesYesNoNo99
61x54 2x47 alpha_off11.2066.35541YesNoNoNo79
77x53 8x50 alpha_off49.70120YesYesYesYes98
83x33 Lig alpha_off40.43597.15408NoNoYesYes60
93x33 4x57 alpha_off38.72295.73941NoNoYesNo68
103x37 4x57 alpha_off23.4250YesNoYesNo78
112x45 4x46 alpha_off37.26591.44441NoNoNoNo98
122x42 4x46 alpha_off29.75360YesYesNoNo88
136x48 6x51 alpha_off50.73130YesYesYesYes87
143x39 6x44 alpha_off81.58330NoNoYesYes99
156x51 Lig alpha_off45.13692.18786YesYesYesYes70
166x48 6x52 alpha_off50.16794.41395YesYesYesYes87
173x28 Lig alpha_off25.30310YesYesYesYes50
18E2 Lig alpha_off48.68250YesYesYesYes40
193x40 6x44 alpha_off35.61550NoNoYesYes89
203x40 5x50 alpha_off34.14156.06228NoNoNoNo89
213x41 4x53 alpha_off27.79010NoNoNoNo68
223x43 6x41 alpha_off67.30980NoYesYesNo88
235x58 6x41 alpha_off64.54384.43519YesYesYesNo98
243x51 5x61 alpha_off28.08040YesNoNoNo89
254x57 4x58 alpha_off12.25881.44441YesNoNoNo84
266x40 7x49 alpha_off16.48740NoNoYesYes89
276x40 7x52 alpha_off14.3020NoNoNoNo88
287x34 Lig alpha_off33.40160NoNoYesYes40
297x34 E3 alpha_off31.79670NoNoYesYes43
306x54 E3 alpha_off17.28420NoNoYesYes53
316x54 7x37 alpha_off14.84831.58885NoNoNoNo55
328x50 8x54 alpha_off20.98910YesYesYesNo87
335x58 I3 alpha_off15.51420YesYesYesNo93
345x64 5x68 alpha_off13.41980NoNoNoNo67
358x48 8x49 alpha_off11.41659.9282NoNoNoNo57
361x34 NT alpha_off14.36460YesNoYesNo40
37E2 NT alpha_off16.07760YesYesYesNo40
382x50 3x39 alpha_off79.09052.12413YesYesNoNo99
393x41 5x50 alpha_off28.19990NoNoNoNo69
407x39 7x42 Shared21.541221.1564YesNoYesYes67
412x56 3x32 Shared36.224521.1861NoYesNoNo87
422x50 7x46 Shared38.876610.5527YesYesNoNo99
431x50 2x50 Shared24.284331.0294YesYesYesYes99
442x50 7x49 Shared77.79329.6232YesYesYesYes99
457x42 Lig Shared20.311965.8779YesYesYesYes70
463x37 4x53 Shared23.834716.8189YesNoNoNo78
473x38 4x53 Shared43.213215.4637NoNoNoNo88
483x38 4x50 Shared42.046614.1NoNoNoNo89
492x45 4x50 Shared40.868511.3471NoNoNoNo99
502x42 3x49 Shared16.720712.2817YesYesYesYes89
516x44 6x48 Shared10083.0961YesYesYesYes98
526x52 Lig Shared50.788214.2232YesYesYesYes70
533x28 E1x50 Shared14.085740.9746YesYesYesYes58
543x43 6x44 Shared74.594538.2174NoYesYesYes89
555x58 5x61 Shared45.461312.8YesYesNoNo99
563x51 3x55 Shared14.017493.3897YesNoNoNo87
573x55 3x56 Shared11.962992.574NoNoNoYes76
585x47 6x52 Shared14.131217.0016YesYesYesYes87
598x47 8x50 Shared21.376117.0483NoNoYesYes88
608x47 8x49 Shared19.850915.1663NoNoNoNo87
613x54 5x61 Shared16.919911.3046NoNoNoNo89
623x54 5x64 Shared15.457310.0557NoNoNoNo86
631x52 8x54 Shared15.832910.4083YesNoYesNo77
643x32 Lig Shared30.174721.8446NoNoYesYes70
651x39 7x39 alpha_on9.5213714.4229NoNoYesNo76
662x57 7x42 alpha_on9.0091610.3233NoNoYesYes87
676x48 Lig alpha_on092.9309YesYesYesYes80
686x48 7x45 alpha_on019.3806YesYesNoNo89
697x45 7x49 alpha_on016.2326NoNoYesYes99
701x46 1x50 alpha_on010.5527YesNoYesYes89
715x54 6x44 alpha_on0100NoNoYesYes89
723x47 5x54 alpha_on099.7536NoNoNoNo98
733x47 5x57 alpha_on2.1171298.135NoNoNoNo96
743x51 5x57 alpha_on4.2285697.2174YesNoNoNo86
753x52 3x56 alpha_on088.3682NoYesNoYes56
763x52 I2x53 alpha_on3.0789485.6748NoYesYesYes57
773x49 I2x53 alpha_on7.1253845.431YesYesYesYes97
782x39 3x49 alpha_on1.0813334.1136NoNoYesYes89
792x37 2x39 alpha_on065.3596NoNoNoNo78
802x37 2x40 alpha_on2.259462.9169NoNoNoNo78
812x40 I1x50 alpha_on019.8649NoNoNoYes88
82I2x53 I2x57 alpha_on0.073985533.8545YesYesYesNo76
832x39 I2x57 alpha_on0.051220833.0048NoNoYesNo86
845x461 Lig alpha_on022.1547NoNoYesYes60
853x37 5x461 alpha_on1.553720.8335YesNoNoNo76
862x46 3x43 alpha_on016.4875NoNoNoYes98
872x56 7x42 alpha_on023.3272NoYesYesYes87
882x56 3x28 alpha_on038.3619NoYesYesYes85
892x59 3x28 alpha_on9.7945511.8824NoNoYesYes55
902x60 7x42 alpha_on2.6293321.0289NoNoYesYes77
912x60 3x28 alpha_on1.9463920.2345NoNoYesYes75
92E1x49 E1x50 alpha_on017.4774NoNoYesYes48
932x66 E1x49 alpha_on5.0253310.5102NoNoNoNo54
945x43 Lig alpha_on019.5505NoNoYesYes70
955x39 5x43 alpha_on2.4984318.6244NoYesNoNo87
965x39 E2 alpha_on6.721313.1866NoYesYesYes84
973x43 7x53 alpha_on021.5557NoYesYesYes89
983x47 5x58 alpha_on028.8457NoNoYesYes99
995x47 6x49 alpha_on3.2155322.4096YesYesNoYes87
1007x52 7x53 alpha_on011.9759NoNoYesYes89
1016x43 7x52 alpha_on4.5131210.4805NoNoNoNo78
1026x49 6x53 alpha_on1.6106110.8161NoYesNoNo76
1032x40 8x50 alpha_on040.5412NoNoYesYes88
1043x50 7x53 alpha_on016.4408YesYesYesYes99
1053x50 7x56 alpha_on010.0132YesYesNoNo97
1067x54 8x50 alpha_on019.9839NoNoYesYes78
1077x54 8x54 alpha_on2.1683516.1647NoNoYesNo77
1083x24 E1x52 alpha_on011.9376NoNoNoNo55
1092x46 2x50 alpha_on015.23NoNoYesYes99
1103x43 7x49 alpha_on016.3601NoYesYesYes89
1113x50 5x58 alpha_on012.7958YesYesYesYes99
1125x47 6x44 alpha_on018.2718YesYesYesYes89

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
2x563x32Shared5.65758.989170121
2x577x42Shared6.226257.096250021
2x593x28Shared9.866256.022080021
2x603x28Shared5.65254.331250021
3x28E1x50Shared4.5354.05751012
3x22E2Shared6.143.98250021
3x28Ligalpha_off9.9387501010
3x327x42Shared7.1858.094171111
3x32LigShared19.451311.03791110
3x334x57Shared4.6453.028331012
3x33LigShared7.802510.81461010
3x366x48Shared7.346255.004170111
3x374x57alpha_off3.800022
3x375x461Shared7.9956.594170021
3x406x44alpha_off5.2762500022
E2E2Shared24.92523.20171211
5x36E2Shared9.086253.454581221
5x39E2Shared7.601257.073751221
5x395x43Shared10.49257.684581221
5x406x55Shared8.36256.82750021
5x446x52Shared3.77753.131250021
5x476x52Shared22.103818.12670121
6x446x48Shared9.843754.551670121
6x486x51alpha_off5.6387501111
6x486x52Shared5.266.47251111
6x487x41Shared11.43758.499581112
6x516x52Shared10.04875.271111
6x516x55Shared5.206256.51111
6x517x38Shared7.395.492081111
6x51LigShared11.773816.97881110
6x52LigShared5.85755.951251110
E3E3Shared5.9056.62751622
7x34Ligalpha_off4.3601010
7x387x42Shared4.758758.121671111
7x38LigShared14.378715.51251110
7x397x42Shared5.06256.9550021
7x42LigShared4.68758.557081110
E2Ligalpha_off6.232501210
E2x51Ligalpha_off4.6937501010
E2x52Ligalpha_off8.9601010
E1x49E2alpha_off6.4712501021
E2E2x51Shared3.926.103331211
6x447x45alpha_off8.1100122
7x34E3alpha_off5.5087501012
NTNTalpha_off3.98501022
2x607x42Shared3.8155.920420021
E2NTalpha_off4.867501212
3x26E2Shared3.42251.356251221
3x29E2x52alpha_off3.3800021
4x62E2alpha_off2.2937501021
3x21E2alpha_off1.7387500021
2x563x28alpha_on05.451250121
2x567x42alpha_on03.43250121
3x36Ligalpha_on08.545830110
3x406x48alpha_on011.10790021
4x60E2alpha_on05.718330221
4x605x39alpha_on010.02710222
E2E2x52alpha_on04.003331211
5x43Ligalpha_on04.956670010
5x476x44alpha_on05.359170122
6x487x45alpha_on09.88751112
6x48Ligalpha_on05.300421110
6x55Ligalpha_on04.625420110
5x461Ligalpha_on02.783750010
6x517x34alpha_on02.679581111
3x21E1x50alpha_on01.758750022
E1x49E1x50alpha_on01.435831022
3x283x29alpha_on01.412921012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
alpha_off alpha1_off
alpha2_off
alpha_on alpha1_on
alpha2_on
Network Difference
Value alpha_off alpha_on
Imin 3.7675 3.42542
Number of Linked Nodes 271 264
Number of Specific Nodes 12 (4.43%) 5  (1.89%)
Number of Shared Nodes 259 (95.57%) 259  (98.11%)
Number of Links 294 287
Number of Specific Links 123 (41.84%) 116  (40.42%)
Number of Shared Links 171 (58.16%) 171  (59.58%)
Number of Hubs 37 28
Number of Specific Hubs 16 (43.24%) 7  (25.00%)
Number of Shared Hubs 21 (56.76%) 21  (75.00%)
Average % Shared Neighbours (Jaccard) 46.30
Average % Shared Neighbours (Otsuka) 55.08
Average % Shared Neighbours (Overlap Coefficient) 63.97
Average % Shared Cliques (k3-6) 81.25
Graphlets Similarity 0.556245
Paths Difference
Value alpha_off alpha_on
Number Of Nodes in MetaPath 62 68
Specific Nodes in MetaPath 23 (37.10%) 29  (42.65%)
Shared Nodes in MetaPath 259 (95.57%) 259  (95.57%)
Number Of Links MetaPath 64 73
Specific Links in MetaPath 39 (60.94%) 48  (65.75%)
Shared Links in MetaPath 171 (58.16%) 171  (58.16%)
Number of Shortest Paths 45683 53091
Length Of Smallest Path 3 3
Average Path Length 12.0199 14.2319
Length of Longest Path 26 32
Minimum Path Strength 0.62 0.269375
Average Path Strength 5.70381 5.3275
Maximum Path Strength 16.0763 14.0083
Minimum Path Correlation 0.7025 0.70125
Average Path Correlation 0.907073 0.885863
Maximum Path Correlation 0.98875 0.984583
Minimum % Of Corr. Nodes 4.16667 3.7037
Average % Of Corr. Nodes 44.7038 35.0043
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 47.4499 42.5287
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 alpha_off_on.zip<



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