Orange: nodes, hubs and links specific of alpha2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of alpha2_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 alpha2_off Avg Int. Strength alpha2_on Avg Int. Strength alpha2_off Num Of Links alpha2_on Num Of Links ConSurf
1NT alpha2_off500606
22x45 alpha2_off00429
3E1x51 alpha2_off500615
43x24 alpha2_off500416
53x35 alpha2_off016.6667437
63x41 alpha2_off00417
73x49 alpha2_off5050439
83x50 alpha2_off1000539
94x50 alpha2_off500639
10E2 alpha2_off100251035
116x31 alpha2_off00417
126x41 alpha2_off00427
13E3 alpha2_off500735
148x49 alpha2_off500438
151x50 Shared5050459
161x52 Shared00448
172x42 Shared10050468
18E1x50 Shared5025578
193x28 Shared1000657
203x42 Shared10050448
21I2x57 Shared5075657
225x47 Shared10091.6667459
235x58 Shared5091.6667459
246x44 Shared5075449
256x48 Shared100100569
266x51 Shared10091.6667558
276x52 Shared10083.3333558
287x42 Shared5091.6667578
297x53 Shared5091.6667459
308x50 Shared10050568
31Lig Shared1001009110
322x39 alpha2_on050349
332x50 alpha2_on050249
343x51 alpha2_on5050348
353x52 alpha2_on050346
36I2x53 alpha2_on050359
375x39 alpha2_on5050348
385x48 alpha2_on00347
395x62 alpha2_on00248
406x26 alpha2_on00045
416x33 alpha2_on5050348
426x49 alpha2_on00247
436x55 alpha2_on5075348
447x37 alpha2_on00347
457x49 alpha2_on066.6667349
468x54 alpha2_on00348
   
Orange: nodes, hubs and links specific of alpha2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of alpha2_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 alpha2_off Recurrence alpha2_on Recurrence alpha2_off Hub1? alpha2_on Hub1? alpha2_off Hub2? alpha2_on Hub2? ConSurf1 ConSurf2
17x38 Lig alpha2_off15.51011.06028NoNoYesYes70
27x35 7x38 alpha2_off20.37560NoNoNoNo77
32x64 7x35 alpha2_off16.58976.18987NoNoNoNo77
42x64 NT alpha2_off15.93190NoNoYesNo76
52x53 7x46 alpha2_off20.33046.8869NoNoNoNo89
62x53 2x56 alpha2_off99.92970NoNoNoNo88
76x33 8x47 alpha2_off59.11830NoYesNoNo89
86x33 6x37 alpha2_off51.79250NoYesNoNo88
93x46 6x37 alpha2_off87.98960NoNoNoNo98
102x42 4x46 alpha2_off91.2030YesYesNoNo88
112x45 4x46 alpha2_off93.51281.50206YesNoNoNo98
122x45 4x50 alpha2_off87.45230YesNoYesNo99
133x35 4x50 alpha2_off96.13380YesNoYesNo79
142x53 3x35 alpha2_off97.43925.4192NoNoYesNo87
158x50 I1x50 alpha2_off10.12756.26841YesYesNoNo89
163x49 3x50 alpha2_off36.1820YesNoYesNo99
173x50 6x37 alpha2_off35.60450YesNoNoNo98
187x53 8x50 alpha2_off21.00320YesYesYesYes98
19E1x49 E2 alpha2_off22.75060NoNoYesNo55
20E1x49 E1x51 alpha2_off23.83010NoNoYesNo55
213x28 E1x51 alpha2_off29.92070YesYesYesNo75
226x48 6x51 alpha2_off24.58330YesYesYesYes98
233x38 4x50 alpha2_off16.26332.99921NoNoYesNo89
243x38 4x53 alpha2_off20.37561.50206NoNoNoNo88
253x41 4x53 alpha2_off18.5730YesNoNoNo78
266x44 6x48 alpha2_off41.32360YesYesYesYes99
273x43 6x41 alpha2_off23.05680NoNoYesNo87
285x58 6x41 alpha2_off18.5730YesYesYesNo97
293x49 I2x53 alpha2_off19.18564.86452YesNoNoYes99
303x52 I2x53 alpha2_off18.66343.29374NoYesNoYes69
313x51 3x52 alpha2_off15.90186.774NoYesNoYes86
325x39 E2 alpha2_off10.90080NoYesYesNo85
337x49 7x53 alpha2_off15.7110NoYesYesYes99
346x40 7x49 alpha2_off13.00960NoNoNoYes89
356x40 7x52 alpha2_off11.60370NoNoNoNo88
366x49 6x53 alpha2_off18.74876.39113NoYesNoNo77
376x53 6x57 alpha2_off17.44834.87925NoNoNoNo77
386x57 E3 alpha2_off16.13783.34773NoNoYesNo75
393x28 Lig alpha2_off44.98390YesYesYesYes70
406x51 Lig alpha2_off21.58064.93815YesYesYesYes80
416x48 6x52 alpha2_off23.36315.04614YesYesYesYes98
422x56 3x32 Shared10026.5659NoNoNoNo88
433x32 Lig Shared91.815627.6163NoNoYesYes80
441x52 8x54 Shared15.193813.7934YesYesNoYes88
458x50 8x54 Shared17.945417.1412YesYesNoYes88
468x47 8x50 Shared48.664416.5276NoNoYesYes98
472x42 3x46 Shared88.58250.8296YesYesNoNo89
483x49 I2x57 Shared13.396319.8655YesNoYesYes97
493x43 6x44 Shared32.345951.9782NoNoYesYes89
505x47 6x52 Shared28.519877.8372YesYesYesYes98
516x52 Lig Shared46.319571.6817YesYesYesYes80
525x47 6x49 Shared20.039215.4869YesYesNoYes97
538x47 8x49 Shared12.964514.4954NoNoYesNo98
541x39 7x39 alpha2_on018.5843NoNoNoNo57
557x39 7x42 alpha2_on6.2211327.2531NoNoYesYes78
567x42 Lig alpha2_on7.6621883.9436YesYesYesYes80
576x48 Lig alpha2_on059.4051YesYesYesYes90
586x48 7x45 alpha2_on062.4534YesYesNoNo99
597x45 7x49 alpha2_on062.1588NoNoNoYes99
602x50 7x49 alpha2_on035.4408NoYesNoYes99
611x50 2x50 alpha2_on8.4002825.6185YesYesNoYes99
623x43 7x49 alpha2_on062.2963NoNoNoYes89
633x43 7x53 alpha2_on0100NoNoYesYes89
642x43 7x53 alpha2_on2.8218548.6943NoNoYesYes89
652x43 8x50 alpha2_on046.8977NoNoYesYes88
665x47 6x44 alpha2_on080.2916YesYesYesYes99
673x46 7x53 alpha2_on047.9433NoNoYesYes99
682x42 3x49 alpha2_on026.6101YesYesYesNo89
692x39 I2x57 alpha2_on0.23599115.109NoYesYesYes97
702x46 7x49 alpha2_on1.4812214.623NoNoNoYes99
712x46 3x42 alpha2_on013.2044NoNoYesYes98
722x56 7x42 alpha2_on029.4129NoNoYesYes88
732x56 3x28 alpha2_on053.7012NoNoYesYes87
742x60 7x42 alpha2_on3.1733329.5405NoNoYesYes88
752x60 3x28 alpha2_on2.6862828.3575NoNoYesYes87
763x28 E1x50 alpha2_on9.3191446.4657YesYesYesYes78
775x54 6x44 alpha2_on036.02NoNoYesYes99
783x47 5x54 alpha2_on035.1266NoNoNoNo99
793x47 5x58 alpha2_on027.2138NoNoYesYes99
803x47 5x57 alpha2_on2.3950612.5761NoNoNoNo98
813x51 5x57 alpha2_on011.2655NoYesNoNo88
825x43 Lig alpha2_on017.8726NoNoYesYes90
835x39 5x43 alpha2_on1.6167916.454NoYesNoNo89
846x55 Lig alpha2_on3.4193610.1217NoYesYesYes80
855x40 6x55 alpha2_on3.047810.6273NoNoNoYes78
865x58 6x37 alpha2_on020.3269YesYesNoNo98
875x62 6x37 alpha2_on019.2617NoYesNoNo88
885x62 6x33 alpha2_on014.1223NoYesNoYes88
897x52 7x53 alpha2_on010.2788NoNoYesYes89
905x58 6x40 alpha2_on013.7149YesYesNoNo98
916x36 6x40 alpha2_on012.3306NoNoNoNo88
926x36 7x56 alpha2_on1.476211.2213NoNoNoNo88
938x48 8x49 alpha2_on5.8796910.4015NoNoYesNo68
945x47 5x48 alpha2_on5.9299110.3132YesYesNoYes97
955x69 6x33 alpha2_on010.0432NoNoNoYes58
965x58 5x61 alpha2_on7.1650910.5782YesYesNoNo99
97E1x49 E1x50 alpha2_on013.8965NoNoYesYes58
981x39 2x61 alpha2_on1.285415.6538NoNoNoNo58
992x42 3x45 alpha2_on013.7444YesYesNoNo88
1003x21 3x28 alpha2_on028.1956NoNoYesYes77
1013x21 3x23 alpha2_on024.6171NoNoNoNo75
1023x22 3x23 alpha2_on021.0387NoNoNoNo45
1033x22 3x26 alpha2_on017.4602NoNoNoNo47
1043x50 7x53 alpha2_on014.7065YesNoYesYes99
1053x50 5x58 alpha2_on018.1131YesNoYesYes99

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
2x563x32Shared5.848.850830121
2x577x42Shared6.0054.230021
2x593x28Shared6.7056.531670021
2x603x28Shared6.364.02750021
2x607x42Shared6.9954.528330021
3x28E1x51alpha2_off4.4700012
3x283x29alpha2_off4.6900012
3x28Ligalpha2_off5.26500010
3x29E2x52alpha2_off6.35500021
3x327x42Shared5.1755.558331111
3x32LigShared27.949.568331110
3x334x57Shared5.6552.019170012
3x33LigShared9.7859.669170010
3x366x48Shared9.7954.133330111
3x374x57alpha2_off6.400022
3x375x461Shared9.595.593330021
E2x52Ligalpha2_off8.4200010
5x395x43Shared9.548.056671621
5x406x55Shared14.8259.85250021
5x476x52Shared23.04516.96330121
6x446x48alpha2_off9.66500121
6x447x45alpha2_off8.6700122
6x486x51alpha2_off5.01501111
6x486x52Shared6.017.6851111
6x487x41Shared11.9658.206671112
6x516x52Shared13.3954.91251111
6x516x55Shared6.7058.33751111
6x517x38Shared8.0354.016671111
6x51LigShared14.9714.09751110
6x52LigShared6.6754.6151110
6x55LigShared4.526.105831110
7x357x38alpha2_off4.9601021
7x38LigShared12.7516.91110
7x42LigShared7.0058.896671110
3x28E1x50Shared5.792.490012
7x397x42Shared6.754.50250021
5x446x52Shared4.193.49250021
3x21E1x50alpha2_off1.40500022
2x567x42alpha2_on03.39250121
3x36Ligalpha2_on08.969170110
3x406x48alpha2_on010.17830021
6x55E2x52alpha2_on03.573331111
6x487x45alpha2_on09.88751112
6x48Ligalpha2_on04.763331110
7x387x42alpha2_on09.023331111
2x563x28alpha2_on05.38750121
5x43Ligalpha2_on03.548330010
5x476x44alpha2_on05.625830122
5x461Ligalpha2_on04.130010
6x517x34alpha2_on05.359171112
E1x50E1x51alpha2_on01.673330522
3x213x28alpha2_on01.19750021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
alpha2_off alpha2a_off
alpha2c_off
alpha2_on alpha2a_on
alpha2b_on
Network Difference
Value alpha2_off alpha2_on
Imin 4.41 3.35833
Number of Linked Nodes 255 261
Number of Specific Nodes 6 (2.35%) 12  (4.60%)
Number of Shared Nodes 249 (97.65%) 249  (95.40%)
Number of Links 277 282
Number of Specific Links 128 (46.21%) 133  (47.16%)
Number of Shared Links 149 (53.79%) 149  (52.84%)
Number of Hubs 31 32
Number of Specific Hubs 14 (45.16%) 15  (46.88%)
Number of Shared Hubs 17 (54.84%) 17  (53.13%)
Average % Shared Neighbours (Jaccard) 40.25
Average % Shared Neighbours (Otsuka) 49.83
Average % Shared Neighbours (Overlap Coefficient) 59.39
Average % Shared Cliques (k3-6) 80.21
Graphlets Similarity 0.582974
Paths Difference
Value alpha2_off alpha2_on
Number Of Nodes in MetaPath 53 61
Specific Nodes in MetaPath 23 (43.40%) 31  (50.82%)
Shared Nodes in MetaPath 249 (97.65%) 249  (97.65%)
Number Of Links MetaPath 53 64
Specific Links in MetaPath 41 (77.36%) 52  (81.25%)
Shared Links in MetaPath 149 (53.79%) 149  (53.79%)
Number of Shortest Paths 40331 50362
Length Of Smallest Path 3 3
Average Path Length 14.2274 11.8437
Length of Longest Path 31 24
Minimum Path Strength 0.975 0.278611
Average Path Strength 7.05508 5.23707
Maximum Path Strength 19.22 12.9346
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.920515 0.89585
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.7037 5
Average % Of Corr. Nodes 44.5572 36.8818
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 40.9264 45.9215
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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