Orange: nodes, hubs and links specific of ccr_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ccr_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 ccr_off Avg Int. Strength ccr_on Avg Int. Strength ccr_off Num Of Links ccr_on Num Of Links ConSurf
1E3 ccr_off5040424
28x53 ccr_off500435
31x39 Shared5020548
41x43 Shared500447
52x40 Shared00448
62x42 Shared50100457
72x53 Shared5090447
8E1x50 Shared100100659
9E1x52 Shared5040457
103x32 Shared5030457
113x37 Shared5060547
123x41 Shared020445
133x42 Shared10080447
143x51 Shared10020648
15I2x57 Shared040456
164x50 Shared10050459
17E2 Shared10010015123
185x35 Shared5040443
195x50 Shared020449
205x58 Shared0100569
216x47 Shared020658
226x48 Shared10080559
237x42 Shared5090458
247x45 Shared10080449
257x53 Shared10090459
268x50 Shared5080558
27Lig Shared10010021250
28NT ccr_on50100254
291x35 ccr_on020346
301x57 ccr_on020147
312x38 ccr_on00346
322x44 ccr_on00346
332x50 ccr_on5020349
343x31 ccr_on00145
353x36 ccr_on030347
363x49 ccr_on040348
375x60 ccr_on00344
386x30 ccr_on00247
396x44 ccr_on5060359
406x49 ccr_on020246
416x59 ccr_on00345
427x30 ccr_on00245
437x49 ccr_on060269
   
Orange: nodes, hubs and links specific of ccr_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ccr_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 ccr_off Recurrence ccr_on Recurrence ccr_off Hub1? ccr_on Hub1? ccr_off Hub2? ccr_on Hub2? ConSurf1 ConSurf2
16x47 7x45 ccr_off16.68848.35899YesYesYesYes89
22x53 7x45 ccr_off76.45850YesYesYesYes79
33x32 7x42 ccr_off24.62086.46072YesYesYesYes78
41x56 8x50 ccr_off13.87365.79009NoNoYesYes78
57x53 8x50 ccr_off45.0730YesYesYesYes98
66x40 7x53 ccr_off53.42890NoNoYesYes89
73x43 6x40 ccr_off54.6850NoNoNoNo88
83x43 6x44 ccr_off93.44930NoNoNoYes89
96x48 6x51 ccr_off51.01420YesYesNoNo97
106x51 6x55 ccr_off49.12531.32659NoNoNoNo76
115x40 6x55 ccr_off48.99970NoNoNoNo56
125x40 Lig ccr_off48.19020NoNoYesYes50
131x56 8x53 ccr_off12.45460NoNoYesNo75
148x49 8x50 ccr_off26.1050NoNoYesYes68
152x40 I1x50 ccr_off21.42460YesYesNoNo86
162x40 8x49 ccr_off23.2530YesYesNoNo86
172x44 I1x50 ccr_off13.98064.01275NoYesNoNo66
183x42 4x49 ccr_off12.42679.55365YesYesNoNo76
193x32 3x33 ccr_off15.1819.0516YesYesNoNo75
203x40 6x44 ccr_off10.90540NoNoNoYes79
213x50 6x37 ccr_off14.02250NoNoNoNo98
225x58 6x41 ccr_off45.10562.31604YesYesNoNo98
233x43 6x41 ccr_off51.58650NoNoNoNo88
243x51 5x61 ccr_off20.01490YesYesNoNo88
255x58 5x61 ccr_off26.73772.42231YesYesNoNo98
263x51 5x60 ccr_off10.97058.49824YesYesNoYes84
273x52 I2x56 ccr_off10.90540NoNoNoNo54
283x52 I2x53 ccr_off12.42672.00821NoNoNoNo55
29I2x53 I2x57 ccr_off13.93883.85151NoNoYesYes56
305x40 6x59 ccr_off14.68321.21299NoNoNoYes55
316x61 Lig ccr_off12.62217.82029NoNoYesYes40
321x54 2x44 ccr_off10.93794.01275NoNoNoYes76
33E3 Lig ccr_off11.65915.18543YesNoYesYes40
342x53 3x32 Shared74.462675.5863YesYesYesYes77
353x32 Lig Shared56.164570.8333YesYesYesYes70
361x43 2x57 Shared13.915513.9475YesYesNoNo77
372x57 7x42 Shared15.125219.9575NoNoYesYes78
382x50 7x46 Shared12.4639100NoYesNoNo98
392x53 7x46 Shared13.659699.6335YesYesNoNo78
406x44 6x48 Shared10024.8351NoYesYesYes99
416x48 7x45 Shared77.840364.0575YesYesYesYes99
421x60 8x53 Shared10.095811.0048NoNoYesNo55
432x38 2x42 Shared21.359435.9169NoYesYesYes67
442x42 3x45 Shared27.128576.5281YesYesNoNo76
453x45 4x49 Shared28.547577.1108NoNoNoNo66
463x41 4x49 Shared40.899882.0251YesYesNoNo56
473x37 3x41 Shared44.705584.0186YesYesYesYes75
483x36 3x37 Shared49.98686.7891NoYesYesYes77
493x36 6x48 Shared52.498487.2545NoYesYesYes79
502x38 I2x57 Shared16.832634.3961NoYesYesYes66
51E1x50 E1x52 Shared14.780922.6546YesYesYesYes97
52E1x50 E2 Shared21.615315.1862YesYesYesYes93
53E2 Lig Shared42.416527.2611YesYesYesYes30
545x58 6x37 Shared15.525316.1756YesYesNoNo98
551x27 NT ccr_on013.0863NoNoNoYes14
56Lig NT ccr_on3.2008914.1271YesYesNoYes04
571x39 7x42 ccr_on9.3840111.7597YesYesYesYes88
582x50 7x49 ccr_on2.5635199.9524NoYesNoYes99
591x57 8x50 ccr_on015.4317NoYesYesYes78
601x57 2x40 ccr_on030.8634NoYesYesYes78
612x37 2x40 ccr_on1.5864960.7153NoNoYesYes78
622x37 I2x57 ccr_on062.4634NoNoYesYes76
637x45 7x49 ccr_on087.0786YesYesNoYes99
643x49 I2x57 ccr_on0.097701734.6856NoYesYesYes86
652x42 3x49 ccr_on036.3127YesYesNoYes78
661x57 2x44 ccr_on011.9576NoYesNoYes76
678x53 I1x48 ccr_on0.82813814.5119YesNoNoNo55
682x40 I1x48 ccr_on0.81418116.4724YesYesNoNo85
692x63 E1x50 ccr_on0.051177114.7684NoNoYesYes49
702x63 Lig ccr_on015.7505NoNoYesYes40
717x49 7x53 ccr_on032.3256NoYesYesYes99
726x44 7x45 ccr_on023.5745NoYesYesYes99
733x47 5x54 ccr_on1.8377215.4977NoNoNoNo98
745x54 6x44 ccr_on026.7847NoNoNoYes89
753x50 5x58 ccr_on019.2612NoNoYesYes99
763x50 7x53 ccr_on019.5324NoNoYesYes99
773x47 5x57 ccr_on023.3399NoNoNoNo98
783x51 5x57 ccr_on1.5911421.7202YesYesNoNo88
795x44 6x52 ccr_on2.749610.6824NoNoNoNo58
805x47 6x52 ccr_on1.3771311.833NoNoNoNo88
815x47 5x51 ccr_on019.6826NoNoNoNo86
825x51 6x44 ccr_on020.7747NoNoNoYes69
835x62 6x37 ccr_on015.0542NoNoNoNo48
845x62 6x34 ccr_on012.7895NoNoNoNo46
855x65 6x34 ccr_on2.8984810.4955NoNoNoNo86
866x36 6x40 ccr_on012.5257NoNoNoNo88
876x40 7x52 ccr_on013.4821NoNoNoNo88
887x52 7x53 ccr_on014.6255NoNoYesYes89
892x40 I1x51 ccr_on013.9255YesYesNoNo87
902x41 I1x51 ccr_on011.9576NoNoNoNo77
912x53 7x42 ccr_on023.2886YesYesYesYes78
925x54 5x58 ccr_on010.5981NoNoYesYes89

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
LigNTShared19.4962.511101
1x241x27ccr_off5.3101012
1x24Ligccr_off4.93501010
1x351x39Shared12.318.6121022
1x357x39ccr_off4.37501022
1x392x60ccr_off3.78501021
1x397x39Shared8.044.0461022
1x397x42Shared9.7656.0491022
2x533x32Shared7.2259.6970121
2x562x60Shared4.853.1540021
2x60LigShared14.18517.1861110
2x63E1x50Shared7.2358.4391112
2x63E2ccr_off4.7501111
E1x49E2Shared11.635.2151021
E1x50E2Shared4.1255.2491121
3x223x26Shared6.124.7981112
3x22E2Shared13.4455.1721111
3x294x65Shared14.0610.0831112
3x29LigShared4.374.4151110
3x323x33Shared8.5955.5421112
3x327x42Shared3.7754.4071112
3x32LigShared6.9557.2241110
4x64E2Shared15.57511.7581121
4x645x35Shared9.5210.9241122
4x65E2x52Shared4.6153.2320021
E2E2Shared49.5756.8081111
E2LigShared89.6659.7851110
E2E2x51Shared10.9553.5991111
E2x51LigShared9.0259.8041110
E2E2x52ccr_off6.48501111
E2x52LigShared8.373.6981110
5x32E2Shared4.883.5881111
5x35E2Shared5.568.8731121
5x36E2Shared10.2653.1381021
5x31E2ccr_off8.3501011
5x325x36ccr_off4.1801112
5x32LigShared11.8858.4011110
5x335x37ccr_off5.9400012
5x406x55ccr_off8.3901012
5x406x59Shared9.37.1861012
5x40Ligccr_off3.9201010
6x516x55Shared6.479.9550022
6x61LigShared5.644.5581110
6x62E3ccr_off6.57500111
7x237x26ccr_off4.4700012
7x31LigShared5.615.440010
7x34LigShared3.946.5110110
7x357x38ccr_off5.73501111
7x357x39ccr_off4.1601112
7x35LigShared8.9253.5871110
3x22Ligccr_off5.0601110
5x31Ligccr_off3.94501010
6x617x26ccr_off5.30501112
7x387x42Shared4.087.4390112
7x24NTShared3.645.460111
E3LigShared3.5856.011110
6x586x61ccr_off3.300021
7x30E3ccr_off2.7700021
7x27LigShared2.644.3440110
1x28E2ccr_off2.6200011
1x31Ligccr_off2.36501010
7x237x25ccr_off2.23500012
1x251x26ccr_off2.12500012
1x251x29ccr_off1.3700012
6x65E3ccr_off0.8500021
1x301x31ccr_off0.8500021
NTNTccr_on011.1831111
1x247x28ccr_on03.5181012
1x28Ligccr_on07.5210010
1x357x35ccr_on04.561021
2x537x42ccr_on06.6910122
2x63Ligccr_on06.641110
5x39E2ccr_on05.0950021
5x315x35ccr_on03.6431012
6x517x38ccr_on08.140021
6x547x34ccr_on03.8930021
6x617x27ccr_on04.1261111
7x26E3ccr_on03.70021
7x24Ligccr_on03.3460110
7x38Ligccr_on04.8230110
1x277x28ccr_on04.4930122
2x603x32ccr_on03.4711111
E2x51E2x52ccr_on05.0921111
6x62Ligccr_on03.2680110
1x25Ligccr_on03.2160010
5x33Ligccr_on03.180010
6x626x63ccr_on03.1040112
5x376x59ccr_on02.6930022
6x587x30ccr_on02.420022
1x267x28ccr_on02.410022
1x317x35ccr_on02.2241011
6x617x30ccr_on02.111112
1x27NTccr_on02.0460121
6x657x30ccr_on01.9480022
1x291x30ccr_on01.8010022
7x23Ligccr_on01.730010
2x67Ligccr_on01.4340010

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
ccr_off ccr5_off
ccr8_off
ccr_on ccr5_on
ccr6_on
ccr1_on
ccr2_on
ccr8_on
Network Difference
Value ccr_off ccr_on
Imin 3.74 3.225
Number of Linked Nodes 275 279
Number of Specific Nodes 2 (0.73%) 6  (2.15%)
Number of Shared Nodes 273 (99.27%) 273  (97.85%)
Number of Links 299 308
Number of Specific Links 112 (37.46%) 121  (39.29%)
Number of Shared Links 187 (62.54%) 187  (60.71%)
Number of Hubs 27 41
Number of Specific Hubs 2 (7.41%) 16  (39.02%)
Number of Shared Hubs 25 (92.59%) 25  (60.98%)
Average % Shared Neighbours (Jaccard) 49.17
Average % Shared Neighbours (Otsuka) 57.54
Average % Shared Neighbours (Overlap Coefficient) 66.06
Average % Shared Cliques (k3-6) 82.41
Graphlets Similarity 0.521711
Paths Difference
Value ccr_off ccr_on
Number Of Nodes in MetaPath 54 56
Specific Nodes in MetaPath 21 (38.89%) 23  (41.07%)
Shared Nodes in MetaPath 273 (99.27%) 273  (99.27%)
Number Of Links MetaPath 54 59
Specific Links in MetaPath 33 (61.11%) 38  (64.41%)
Shared Links in MetaPath 187 (62.54%) 187  (62.54%)
Number of Shortest Paths 45692 55308
Length Of Smallest Path 3 3
Average Path Length 12.4013 14.5253
Length of Longest Path 28 31
Minimum Path Strength 0.7675 0.367
Average Path Strength 7.46566 6.34674
Maximum Path Strength 52.6175 44.6843
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.939328 0.935651
Maximum Path Correlation 0.995 0.99
Minimum % Of Corr. Nodes 4.7619 4
Average % Of Corr. Nodes 52.3497 52.4765
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 39.8608 54.7159
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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