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
11x35 ccr_off5020536
21x60 ccr_off020515
33x28 ccr_off020426
43x33 ccr_off5020435
53x41 ccr_off00435
64x64 ccr_off500434
76x40 ccr_off500428
86x45 ccr_off500425
96x51 ccr_off10020436
10E3 ccr_off5040430
111x39 Shared5020557
122x38 Shared00446
132x42 Shared100100467
142x60 Shared10020446
15E1x50 Shared100100758
163x36 Shared5030447
173x37 Shared10060447
183x42 Shared10080447
193x51 Shared5020548
204x50 Shared5050549
21E2 Shared10010014133
225x35 Shared5020443
235x50 Shared020548
245x58 Shared0100568
256x44 Shared10050549
266x47 Shared020458
276x48 Shared100100559
287x42 Shared5090447
297x53 Shared5090559
30Lig Shared10010024210
31NT Shared5080450
321x57 ccr_on020147
331x59 ccr_on00344
342x50 ccr_on020249
352x53 ccr_on063.3333346
362x57 ccr_on013.3333157
37E1x52 ccr_on020357
383x32 ccr_on10030356
393x49 ccr_on030348
40E2x52 ccr_on00244
415x47 ccr_on020248
426x30 ccr_on00245
436x34 ccr_on00146
446x49 ccr_on020245
456x60 ccr_on00344
467x30 ccr_on00144
477x37 ccr_on00347
487x38 ccr_on020345
497x45 ccr_on5080359
507x49 ccr_on050249
518x50 ccr_on5053.3333358
528x53 ccr_on00355
53I2x57 ccr_on030357
   
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
11x35 Lig ccr_off17.56910YesNoYesYes60
22x54 7x46 ccr_off10.63970NoNoNoNo68
36x48 6x51 ccr_off56.24870YesYesYesNo96
46x48 7x45 ccr_off12.32868.40668YesYesNoYes99
56x47 7x45 ccr_off19.24776.39216YesYesNoYes89
66x44 6x48 ccr_off40.70621.1287YesYesYesYes99
76x44 6x45 ccr_off71.05940YesYesYesNo95
86x41 6x45 ccr_off61.11050NoNoYesNo85
93x43 6x41 ccr_off38.20370NoNoNoNo88
103x43 6x40 ccr_off35.76770NoNoYesNo88
116x40 7x49 ccr_off17.31320YesNoNoYes89
121x50 2x50 ccr_off14.52925.34061NoNoNoYes99
133x32 3x33 ccr_off56.8687.31798NoYesYesNo65
143x33 3x37 ccr_off74.88740YesNoYesYes57
153x37 5x46 ccr_off1000YesYesNoNo74
163x41 5x46 ccr_off98.02461.07441YesNoNoNo54
173x41 4x49 ccr_off89.64695.32632YesNoNoNo57
183x42 4x49 ccr_off32.74827.41799YesYesNoNo77
193x42 4x50 ccr_off28.00924.26049YesYesYesYes79
202x48 4x50 ccr_off18.57220NoNoYesYes59
212x44 2x48 ccr_off16.93451.76592NoNoNoNo65
222x38 3x49 ccr_off54.08390.00285747YesYesNoYes68
232x39 3x49 ccr_off45.61920.93725NoNoNoYes78
242x37 2x39 ccr_off28.42890NoNoNoNo77
251x56 8x53 ccr_off10.23540NoNoNoYes75
261x60 8x53 ccr_off11.26921.75163YesNoNoYes55
276x40 7x53 ccr_off10.55780YesNoYesYes89
282x60 Lig ccr_off19.19142.1231YesYesYesYes60
292x60 E1x50 ccr_off11.37150YesYesYesYes68
303x33 4x61 ccr_off18.86391.06012YesNoNoNo54
313x36 3x37 ccr_off58.48524.28335YesYesYesYes77
323x36 6x48 ccr_off14.48316.39216YesYesYesYes79
333x36 5x43 ccr_off17.48721.06869YesYesNoNo75
343x40 6x44 ccr_off10.90580NoNoYesYes89
355x50 6x45 ccr_off11.89360YesYesYesNo85
363x44 5x50 ccr_off13.27533.22037NoNoYesYes88
375x54 6x41 ccr_off27.78920NoNoNoNo88
385x54 5x58 ccr_off26.48412.89747NoNoYesYes88
392x39 3x50 ccr_off17.60490NoNoNoNo79
405x58 5x61 ccr_off18.42894.27192YesYesNoNo88
413x51 5x61 ccr_off11.70420YesYesNoNo88
425x43 6x52 ccr_off15.36340NoNoNoNo58
43E3 Lig ccr_off14.16075.00057YesNoYesYes00
445x39 E2 ccr_off16.09521.00583NoNoYesYes53
454x61 5x39 ccr_off17.88130NoNoNoNo45
463x36 6x44 ccr_off43.27530YesYesYesYes79
473x32 Lig Shared51.156645.2166NoYesYesYes60
482x53 3x32 Shared12.195573.4427NoYesNoYes66
492x53 7x46 Shared12.73899.9657NoYesNoNo68
507x38 Lig Shared47.594710.4841NoYesYesYes50
516x51 7x38 Shared48.167934.6154YesNoNoYes65
522x50 7x49 Shared15.926399.0742NoYesNoYes99
533x45 4x49 Shared65.204713.5558NoNoNoNo67
542x42 3x45 Shared63.940614.5588YesYesNoNo76
552x38 2x42 Shared59.227236.2584YesYesYesYes67
562x37 2x40 Shared26.86862.7215NoNoNoNo78
572x40 I1x48 Shared23.700136.3327NoNoNoNo86
588x53 I1x48 Shared22.405319.5737NoYesNoNo56
59E1x50 E1x52 Shared13.101324.7143YesYesNoYes87
60E2 Lig Shared35.91122.9541YesYesYesYes30
61E1x50 E2 Shared15.301912.2414YesYesYesYes83
62Lig NT ccr_on9.5240510.3983YesYesYesYes00
637x38 7x42 ccr_on020.4223NoYesYesYes57
642x57 7x42 ccr_on011.587NoYesYesYes77
652x50 7x46 ccr_on0100NoYesNoNo98
661x57 8x50 ccr_on016.5933NoYesNoYes78
671x57 2x40 ccr_on026.8002NoYesNoNo78
682x37 I2x57 ccr_on064.2502NoNoNoYes77
692x38 I2x57 ccr_on034.9268YesYesNoYes67
702x42 3x46 ccr_on082.7752YesYesNoNo79
713x46 7x53 ccr_on083.1152NoNoYesYes99
727x49 7x53 ccr_on093.425NoYesYesYes99
733x49 I2x57 ccr_on8.5158635.1383NoYesNoYes87
742x42 3x49 ccr_on036.5613YesYesNoYes78
752x63 E1x50 ccr_on0.13817819.6851NoNoYesYes48
762x63 Lig ccr_on012.5214NoNoYesYes40
777x45 7x49 ccr_on022.334NoYesNoYes99
783x47 5x58 ccr_on1.4943712.5471NoNoYesYes98
793x50 5x58 ccr_on031.5808NoNoYesYes98
803x50 7x53 ccr_on032.2723NoNoYesYes99
813x47 5x57 ccr_on011.5327NoNoNoNo97
823x51 5x57 ccr_on1.4943710.5126YesYesNoNo87
836x56 6x60 ccr_on012.6786NoNoNoYes64
845x44 6x56 ccr_on2.2210814.4674NoNoNoNo56
855x44 6x52 ccr_on6.6427816.2504NoNoNoNo58
865x47 6x52 ccr_on6.6427818.0278NoYesNoNo88
875x47 6x49 ccr_on4.4370523.3255NoYesNoYes85
886x49 6x50 ccr_on032.0408NoYesNoNo59
896x50 7x37 ccr_on2.1903833.7667NoNoNoYes97
906x51 7x37 ccr_on6.2947831.7465YesNoNoYes67
915x58 6x37 ccr_on1.4841415.2303YesYesNoNo87
925x62 6x37 ccr_on014.2331NoNoNoNo47
935x65 6x34 ccr_on1.2333710.1869NoNoNoYes86
945x62 6x34 ccr_on013.2301NoNoNoYes46
957x52 7x53 ccr_on010.2069NoNoYesYes89
96I1x48 I1x51 ccr_on015.7104NoNoNoNo66
97I1x49 I1x51 ccr_on013.9873NoNoNoNo66
98I1x49 I1x50 ccr_on012.2585NoNoNoNo66
992x41 I1x50 ccr_on5.1842410.5241NoNoNoNo76
1002x53 7x42 ccr_on6.3920227.8746NoYesYesYes67
1013x32 7x38 ccr_on015.256NoYesNoYes65
1022x60 3x32 ccr_on012.7986YesYesNoYes66

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
1x31Ligccr_off5.4600010
1x351x39Shared12.8959.159331012
1x357x39ccr_off5.1601012
1x35Ligccr_off6.95501010
1x392x57Shared5.414.9331122
1x397x39Shared8.743.010671122
1x397x42Shared13.175.538331121
2x533x32Shared9.810.59030021
2x537x42Shared4.987.778330021
2x562x60Shared8.493.1540021
2x60E1x50ccr_off5.62501112
2x607x42ccr_off4.6501111
2x60LigShared22.08513.29271110
2x63E1x50Shared7.9157.409671112
E1x49E2Shared13.194.689671021
E1x50E2Shared4.8055.2791121
3x223x26Shared6.025.0761122
3x22E2Shared14.1155.341121
3x26E2ccr_off5.3401021
3x294x65Shared12.5610.66371111
3x29LigShared7.9254.4831110
3x323x33Shared8.485.872671112
3x32LigShared10.8456.495331110
4x64E2Shared14.84512.70071121
4x645x32ccr_off4.33501121
4x645x35Shared14.536.246671122
4x65Ligccr_off3.9401010
E2E2Shared60.93554.43671111
E2E2x52Shared4.753.390671111
5x35E2Shared6.067.3971121
5x36E2Shared5.5154.3321021
5x39E2Shared4.025.8131021
5x335x37ccr_off10.1600112
5x406x55ccr_off4.4901012
5x406x59Shared14.137.1861012
6x516x55Shared10.098.8970022
6x517x37Shared5.6156.0460022
6x517x38Shared7.8558.3740021
6x547x34Shared3.93.5750021
6x547x37Shared5.5556.640670022
6x587x30Shared4.8052.523330022
6x587x34ccr_off500021
6x617x27ccr_off4.9701111
7x35LigShared14.5453.777671110
7x38LigShared12.484.9331110
7x42Ligccr_off4.23501110
E2x52LigShared8.3853.9981110
E2LigShared39.8652.28371110
5x40Ligccr_off3.9401010
E2x51LigShared9.0256.256670110
1x24Ligccr_off4.42501010
7x31LigShared5.615.521330010
7x34LigShared3.945.594331110
LigNTShared19.4949.18931101
6x61LigShared5.644.1061110
5x32LigShared11.8857.1951110
1x241x27ccr_off9.86501012
2x63E2ccr_off5.7601111
5x31E2ccr_off4.4700021
5x325x36ccr_off4.1801112
6x62E3ccr_off6.57500021
7x357x38ccr_off5.73501111
7x24NTShared3.644.489330021
E3LigShared3.5855.471331110
1x352x64Shared3.153.832331012
7x28NTccr_off2.3600021
1x28LigShared2.1156.8170110
1x341x35ccr_off2.07500021
7x26E3Shared1.55.355330021
7x36Ligccr_off1.3500010
6x65E3ccr_off0.8500021
1x25NTccr_off0.68500021
NTNTccr_on011.11831111
1x357x35ccr_on04.988671011
2x603x32ccr_on03.6631111
4x65E2x52ccr_on03.486671011
E2E2x51ccr_on07.157671111
E2x51E2x52ccr_on03.605330111
5x32E2ccr_on03.769671111
7x387x42ccr_on05.011671111
2x577x42ccr_on07.209330121
2x602x63ccr_on03.3251111
2x63Ligccr_on06.530671110
7x27Ligccr_on03.640010
3x327x38ccr_on03.891111
5x315x35ccr_on03.1250022
1x247x28ccr_on03.0241012
1x277x28ccr_on02.8650122
6x64E3ccr_on02.824670021
5x336x62ccr_on02.2330112
5x33Ligccr_on02.178670110
1x27NTccr_on02.0460121
6x617x30ccr_on02.033331112
1x317x35ccr_on01.8960011
1x251x28ccr_on01.4840021
6x657x30ccr_on01.4620022
2x67Ligccr_on01.4340010
7x367x37ccr_on00.6890012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
ccr_off ccr2_off
ccr5_off
ccr_on ccr6_on
ccr8_on
ccr2_on
ccr1_on
ccr5_on
Network Difference
Value ccr_off ccr_on
Imin 3.89 3.166
Number of Linked Nodes 273 281
Number of Specific Nodes 2 (0.73%) 10  (3.56%)
Number of Shared Nodes 271 (99.27%) 271  (96.44%)
Number of Links 300 311
Number of Specific Links 130 (43.33%) 141  (45.34%)
Number of Shared Links 170 (56.67%) 170  (54.66%)
Number of Hubs 31 43
Number of Specific Hubs 10 (32.26%) 22  (51.16%)
Number of Shared Hubs 21 (67.74%) 21  (48.84%)
Average % Shared Neighbours (Jaccard) 41.13
Average % Shared Neighbours (Otsuka) 50.49
Average % Shared Neighbours (Overlap Coefficient) 60.35
Average % Shared Cliques (k3-6) 56.25
Graphlets Similarity 0.579961
Paths Difference
Value ccr_off ccr_on
Number Of Nodes in MetaPath 58 53
Specific Nodes in MetaPath 31 (53.45%) 26  (49.06%)
Shared Nodes in MetaPath 271 (99.27%) 271  (99.27%)
Number Of Links MetaPath 61 56
Specific Links in MetaPath 46 (75.41%) 41  (73.21%)
Shared Links in MetaPath 170 (56.67%) 170  (56.67%)
Number of Shortest Paths 47722 62949
Length Of Smallest Path 3 3
Average Path Length 12.3819 14.2602
Length of Longest Path 31 35
Minimum Path Strength 0.77 0.407
Average Path Strength 7.15325 5.83929
Maximum Path Strength 27.3525 38.0579
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.916277 0.931439
Maximum Path Correlation 0.99 0.988667
Minimum % Of Corr. Nodes 3.57143 3.84615
Average % Of Corr. Nodes 47.8683 50.8317
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 43.2585 51.9632
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 ccr_off_on.zip<



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