Orange: nodes, hubs and links specific of cxcr3_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cxcr3_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 cxcr3_off Avg Int. Strength cxcr3_on Avg Int. Strength cxcr3_off Num Of Links cxcr3_on Num Of Links ConSurf
12x39 cxcr3_off3.78757.95418
23x36 cxcr3_off8.3066.27833537
33x43 cxcr3_off4.454.9525428
43x52 cxcr3_off4.6624.16667535
5I2x54 cxcr3_off5.0550605
6I2.P164 cxcr3_off2.333.005426
74x42 cxcr3_off4.5964.345528
85x50 cxcr3_off2.82752.98439
96x59 cxcr3_off4.446.265415
106x61 cxcr3_off4.243.52667533
117x56 cxcr3_off2.67254.185427
128x54 cxcr3_off4.87254.06667436
131x39 Shared7.83757.19468
141x60 Shared5.99253.04455
152x40 Shared4.99756.05125448
162x42 Shared4.391254.3675867
172x44 Shared2.84251.955446
182x50 Shared6.046.03375449
192x60 Shared7.786679.7075645
20E1x50 Shared7.363756.733859
21E1x52 Shared9.80256.157457
223x32 Shared5.2659.8175445
233x35 Shared6.80755.515448
243x37 Shared5.69254.3675446
253x51 Shared5.545717.1375748
26E2x52 Shared9.36758.2175463
27E2.F207 Shared10.1047.005544
285x40 Shared7.3155.028453
295x47 Shared4.4687.3975548
306x44 Shared7.7955.2025449
316x48 Shared7.786.872659
326x49 Shared2.314.12125445
336x51 Shared5.9647.514556
347x42 Shared9.456.26666
357x53 Shared7.8655.221459
368x50 Shared6.7167.207558
378x53 Shared6.81253.69875445
38Lig Shared10.78325.594810210
391x27 cxcr3_on03.5525040
401x35 cxcr3_on5.633335.378355
411x57 cxcr3_on3.53.75875347
422x46 cxcr3_on3.464.047259
433x49 cxcr3_on6.816.063258
444x56 cxcr3_on6.6555.50125245
454x61 cxcr3_on6.413339.47125344
465x58 cxcr3_on6.696.77333368
476x34 cxcr3_on03.6025040
486x58 cxcr3_on6.383334.985345
497x27 cxcr3_on5.926.73375341
507x45 cxcr3_on8.957.8875249
517x49 cxcr3_on4.046.52125149
   
Orange: nodes, hubs and links specific of cxcr3_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cxcr3_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 cxcr3_off Recurrence cxcr3_on Recurrence cxcr3_off Hub1? cxcr3_on Hub1? cxcr3_off Hub2? cxcr3_on Hub2? ConSurf1 ConSurf2
11x35 1x36 cxcr3_off11.39727.29417NoYesNoNo54
27x42 Lig cxcr3_off16.15114.26457YesYesYesYes60
32x57 7x42 cxcr3_off10.95941.71138NoNoYesYes86
47x38 Lig cxcr3_off33.05891.70675NoNoYesYes50
53x32 7x38 cxcr3_off14.88060YesYesNoNo55
63x32 6x48 cxcr3_off54.930YesYesYesYes59
73x43 6x44 cxcr3_off98.53430YesNoYesYes89
83x43 6x40 cxcr3_off24.8120YesNoNoNo88
96x40 7x52 cxcr3_off23.70320NoNoNoNo88
106x39 7x52 cxcr3_off21.74743.17299NoNoNoNo58
116x39 7x56 cxcr3_off20.7290NoNoYesNo57
126x36 7x56 cxcr3_off17.84523.15449NoNoYesNo87
136x36 7x53 cxcr3_off17.7120NoNoYesYes89
147x53 8x50 cxcr3_off13.19120YesYesYesYes98
151x53 8x50 cxcr3_off10.11233.14061NoNoYesYes98
163x32 7x42 cxcr3_off43.82796.80388YesYesYesYes56
176x51 7x38 cxcr3_off19.76780YesYesNoNo65
182x46 3x42 cxcr3_off76.6876.47549NoYesNoNo98
192x42 3x42 cxcr3_off75.42120YesYesNoNo78
202x41 2x42 cxcr3_off19.30140NoNoYesYes67
211x60 2x40 cxcr3_off18.22120YesYesYesYes58
222x37 2x39 cxcr3_off10.24080NoNoYesNo78
232x42 I2x54 cxcr3_off47.10190YesYesYesNo75
242x45 4x46 cxcr3_off15.99418.3765NoNoNoNo97
252x45 4x50 cxcr3_off14.69976.2951NoNoNoNo99
262x60 E1x50 cxcr3_off19.73920YesYesYesYes59
273x33 3x36 cxcr3_off24.71210NoNoYesNo47
283x33 4x61 cxcr3_off23.46060.00925069NoNoNoYes44
294x61 4x65 cxcr3_off10.69290.00925069NoYesNoNo45
303x34 4x50 cxcr3_off12.08720NoNoNoNo69
313x36 6x52 cxcr3_off14.93770YesNoNoNo78
324x41 I2x54 cxcr3_off58.21360NoNoYesNo45
334x41 I2x53 cxcr3_off50.1570NoNoNoNo46
343x52 I2x53 cxcr3_off42.65258.3765YesNoNoNo56
353x48 3x52 cxcr3_off13.91452.10453NoNoYesNo65
363x48 5x57 cxcr3_off12.4060NoNoNoNo67
373x44 5x50 cxcr3_off15.74668.56152NoNoYesNo79
383x51 3x52 cxcr3_off22.91810YesYesYesNo85
394x61 E2x52 cxcr3_off11.67791.89177NoYesYesYes43
406x51 6x55 cxcr3_off26.52996.48936YesYesNoNo65
415x40 6x55 cxcr3_off12.29665.98982YesYesNoNo35
426x55 6x59 cxcr3_off13.2150NoNoYesNo55
435x47 6x52 cxcr3_off14.35717.76596YesYesNoNo88
441x35 Lig cxcr3_off13.72890NoYesYesYes50
452x60 7x42 cxcr3_off18.7780YesYesYesYes56
468x50 8x53 cxcr3_off11.95390YesYesYesYes85
471x38 1x39 Shared11.397239.9584NoNoYesYes68
481x39 Lig Shared16.546146.679YesYesYesYes80
496x44 6x48 Shared10095.8048YesYesYesYes99
506x48 6x51 Shared35.799970.7956YesYesYesYes96
511x56 8x50 Shared12.11118.2701NoNoYesYes78
521x56 8x54 Shared10.521616.7946NoNoYesNo76
532x46 3x43 Shared77.158113.8159NoYesYesNo98
542x41 I1x51 Shared24.81215.6429NoNoNoNo66
552x40 I1x51 Shared23.617611.9935YesYesNoNo86
561x57 2x40 Shared11.216323.9177NoYesYesYes78
571x57 2x44 Shared10.464536.7299NoYesYesYes76
582x42 3x46 Shared11.57847.951YesYesNoNo79
592x42 4x46 Shared17.093410.4487YesYesNoNo77
603x36 6x48 Shared42.095765.0601YesNoYesYes79
615x53 5x57 Shared21.980612.7891NoNoNoNo77
623x44 5x53 Shared18.868410.6799NoNoNoNo77
633x51 5x57 Shared12.672521.1332YesYesNoNo87
641x60 8x53 Shared16.141612.0398YesYesYesYes55
651x24 7x27 cxcr3_on012.1045NoNoNoYes01
667x27 Lig cxcr3_on027.197NoYesYesYes10
671x24 1x27 cxcr3_on010.37NoNoNoYes00
681x27 7x31 cxcr3_on010.9297NoYesNoNo04
691x31 7x31 cxcr3_on012.5393NoNoNoNo04
701x31 Lig cxcr3_on021.2627NoNoYesYes00
711x27 1x28 cxcr3_on010.4302NoYesNoNo00
721x34 1x38 cxcr3_on2.8610.333NoNoNoNo46
731x35 1x39 cxcr3_on0.13800310.6753NoYesYesYes58
741x38 1x42 cxcr3_on5.7152428.358NoNoNoNo67
751x46 7x47 cxcr3_on2.4126818.4366NoNoNoNo88
761x42 7x47 cxcr3_on020.4394NoNoNoNo78
771x46 2x54 cxcr3_on3.6071210.333NoNoNoNo86
787x45 7x49 cxcr3_on032.0352NoYesNoYes99
796x48 7x45 cxcr3_on035.8788YesYesNoYes99
803x36 Lig cxcr3_on067.8538YesNoYesYes70
816x51 Lig cxcr3_on080.0601YesYesYesYes60
821x57 8x50 cxcr3_on025.407NoYesYesYes78
832x44 2x48 cxcr3_on1.7750139.9769YesYesNoNo66
842x48 2x52 cxcr3_on041.1008NoNoNoNo65
852x52 3x35 cxcr3_on042.308NoNoYesYes58
862x53 3x35 cxcr3_on1.8368747.951NoNoYesYes68
872x53 3x32 cxcr3_on049.3895NoNoYesYes65
883x32 Lig cxcr3_on043.6031YesYesYesYes50
892x40 8x53 cxcr3_on010.6198YesYesYesYes85
902x42 3x49 cxcr3_on022.4283YesYesNoYes78
913x46 3x50 cxcr3_on044.2784NoNoNoNo99
923x50 5x58 cxcr3_on054.9722NoNoNoYes98
935x54 5x58 cxcr3_on068.7234NoNoNoYes88
945x54 6x44 cxcr3_on0100NoNoYesYes89
952x41 4x42 cxcr3_on6.7431216.4662NoNoYesNo68
962x42 4x42 cxcr3_on2.9361418.1129YesYesYesNo78
972x46 7x49 cxcr3_on018.3996NoYesNoYes99
98E1x50 E1x52 cxcr3_on3.9640216.3552YesYesYesYes97
992x63 E1x50 cxcr3_on0.07138135.333NoNoYesYes59
1002x63 E2.H202 cxcr3_on037.0028NoNoNoNo53
101E2.H202 Lig cxcr3_on040.111NoNoYesYes30
102E2x52 Lig cxcr3_on027.9833YesYesYesYes30
1034x64 E2.F207 cxcr3_on2.8124110.9852NoNoYesYes54
104E2.F207 E2x52 cxcr3_on9.6554719.889YesYesYesYes43
1053x36 3x37 cxcr3_on5.5724810.8696YesNoYesYes76
1063x37 4x56 cxcr3_on3.0027612.2988YesYesNoYes65
1073x43 7x53 cxcr3_on012.6272YesNoYesYes89
1083x47 5x57 cxcr3_on035.3793NoNoNoNo97
1093x47 5x54 cxcr3_on1.3847930.2174NoNoNoNo98
1103x52 4x41 cxcr3_on012.5069YesNoNoNo54
1113x49 4x41 cxcr3_on014.3154NoYesNoNo84
1123x51 3x56 cxcr3_on010.6337YesYesNoNo86
113E2.R197 Lig cxcr3_on010.7724NoNoYesYes40
114E1x50 E2.A192 cxcr3_on1.337214.5745YesYesNoNo95
1155x33 5x36 cxcr3_on010.4949NoNoNoNo24
1165x36 Lig cxcr3_on012.0722NoNoYesYes40
1176x58 6x62 cxcr3_on0.038069911.5634NoYesNoNo52
1185x40 6x58 cxcr3_on7.2618315.9158YesYesNoYes35
1195x40 Lig cxcr3_on018.1314YesYesYesYes30
1206x51 6x52 cxcr3_on014.482YesYesNoNo68
1216x51 7x37 cxcr3_on4.0925110.2636YesYesNoNo67
1225x58 6x37 cxcr3_on023.1961NoYesNoNo87
1235x62 6x37 cxcr3_on021.1332NoNoNoNo57
1245x62 6x34 cxcr3_on016.9796NoNoNoYes50
1256x61 7x27 cxcr3_on012.4144YesNoNoYes31
1266x62 6x63 cxcr3_on016.3599NoNoNoNo21
1277x52 7x53 cxcr3_on010.3423NoNoYesYes89

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
1x351x39Shared9.389.381011
1x35Ligcxcr3_off5.8801010
1x362x64cxcr3_off3.7400022
1x381x39Shared3.524.10021
1x392x61Shared2.6741112
1x39LigShared15.786.3151110
2x537x42cxcr3_off8.2101021
2x562x60Shared3.645.4551021
2x567x42cxcr3_off2.501021
2x577x42Shared4.694.6850121
2x602x63cxcr3_off3.3501112
2x60E1x50cxcr3_off8.4301112
2x603x28Shared3.893.891112
2x607x42cxcr3_off4.8201111
2x60LigShared22.5925.481110
2x63E1x50Shared10.0510.051022
3x326x48cxcr3_off5.0101112
3x326x51cxcr3_off5.1601111
3x327x38cxcr3_off2.6401111
3x327x42Shared8.258.771111
3x333x36cxcr3_off6.0400121
3x334x61Shared9.4210.770122
3x363x37Shared7.223.611112
3x365x43cxcr3_off8.201111
3x366x48Shared11.027.0151112
3x366x52cxcr3_off9.0501112
3x375x43Shared5.643.9451021
4x614x65Shared4.078.825122
4x61E2x52Shared5.7514.945121
4x65E2x52Shared15.248.7955121
E2.D195E2.L198cxcr3_off8.1400022
E2.A200E2.H202Shared5.852.930021
E2.F207E2x52Shared9.2810.8355021
5x36E2x52cxcr3_off7.205111
5x36E2.F207cxcr3_off9.6205112
5x406x55Shared2.623.921112
5x406x58Shared8.345.361112
5x406x59Shared8.776.2651112
5x406x62cxcr3_off9.5301112
5x436x52cxcr3_off3.7101112
6x486x51Shared5.795.3051121
6x516x55Shared6.317.571112
6x517x37Shared8.747.491112
6x517x38cxcr3_off3.8201111
6x547x34cxcr3_off4.5500021
6x547x37Shared3.173.9650022
6x556x59cxcr3_off3.0701022
6x586x61cxcr3_off4.1601122
6x586x62Shared6.653.3251122
6x61E3.R288cxcr3_off8.6901022
6x617x30cxcr3_off3.0401022
6x62E3.R288cxcr3_off7.1501022
7x27E3.R288Shared6.9813.3750112
7x277x30cxcr3_off4.2800112
7x277x31cxcr3_off6.500112
7x34Ligcxcr3_off4.9900110
7x35Ligcxcr3_off15.9500010
7x38LigShared8.513.331110
7x42LigShared28.237.8451110
3x29LigShared2.423.7050110
7x39Ligcxcr3_off2.4200010
1x351x36Shared1.641.641012
7x327x36cxcr3_off1.600012
E2.L198E2.R197cxcr3_off1.2100021
E2.E196E2.R197cxcr3_off1.1600021
7x32Ligcxcr3_off1.0600010
LigNT.S40cxcr3_on04.611101
LigNT.P42cxcr3_on08.4551101
7x24NT.C43cxcr3_on06.370021
1x307x32cxcr3_on04.5850021
1x311x35cxcr3_on07.4650111
1x31Ligcxcr3_on03.3650110
1x357x35cxcr3_on05.2551011
1x392x57cxcr3_on012.8951112
1x397x42cxcr3_on06.451111
2x533x32cxcr3_on07.311021
2x603x32cxcr3_on04.0051111
2x63E2.H202cxcr3_on09.451021
3x294x61cxcr3_on03.3550112
3x32Ligcxcr3_on019.1851110
3x33E2x52cxcr3_on03.490121
3x36Ligcxcr3_on08.211110
E2.R197Ligcxcr3_on023.0850110
5x39E2x52cxcr3_on04.1050021
E2x52Ligcxcr3_on07.145110
5x336x62cxcr3_on03.920022
5x36Ligcxcr3_on016.0955110
5x407x34cxcr3_on03.7151111
5x40Ligcxcr3_on05.881110
5x43Ligcxcr3_on012.0651110
6x516x52cxcr3_on05.4451112
6x51Ligcxcr3_on011.761110
6x587x30cxcr3_on03.651122
6x587x34cxcr3_on07.6051121
7x27Ligcxcr3_on06.3950110
7x387x42cxcr3_on07.6351111
1x247x27cxcr3_on04.460021
1x317x31cxcr3_on03.3250112
E2.D195E2.R197cxcr3_on03.5750021
5x335x36cxcr3_on09.3450021
1x352x64cxcr3_on03.151012
E2.H202Ligcxcr3_on03.0250110
6x617x27cxcr3_on02.7051021
NT.P41NT.S40cxcr3_on02.670021
1x307x36cxcr3_on02.620022
7x397x42cxcr3_on02.1750011
NT.C43NT.P44cxcr3_on01.880112
LigNT.C43cxcr3_on01.6351101

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
cxcr3_off 8K2W-CXCR3-AMG487
cxcr3_on 8HNK-CXCR3-CXCL11-Gi1/β1/γ2
8HNL-CXCR3-PS372424-Gi1/β1/γ2
Network Difference
Value cxcr3_off cxcr3_on
Imin 2.44 3.24
Number of Linked Nodes 246 286
Number of Specific Nodes 4 (1.63%) 44  (15.38%)
Number of Shared Nodes 242 (98.37%) 242  (84.62%)
Number of Links 288 311
Number of Specific Links 132 (45.83%) 155  (49.84%)
Number of Shared Links 156 (54.17%) 156  (50.16%)
Number of Hubs 38 39
Number of Specific Hubs 12 (31.58%) 13  (33.33%)
Number of Shared Hubs 26 (68.42%) 26  (66.67%)
Average % Shared Neighbours (Jaccard) 37.96
Average % Shared Neighbours (Otsuka) 46.69
Average % Shared Neighbours (Overlap Coefficient) 55.52
Average % Shared Cliques (k3-6) 51.60
Graphlets Similarity 0.624948
Paths Difference
Value cxcr3_off cxcr3_on
Number Of Nodes in MetaPath 62 79
Specific Nodes in MetaPath 26 (41.94%) 43  (54.43%)
Shared Nodes in MetaPath 242 (98.37%) 242  (98.37%)
Number Of Links MetaPath 64 81
Specific Links in MetaPath 46 (71.88%) 63  (77.78%)
Shared Links in MetaPath 156 (54.17%) 156  (54.17%)
Number of Shortest Paths 41103 62104
Length Of Smallest Path 3 3
Average Path Length 12.5608 11.3677
Length of Longest Path 26 25
Minimum Path Strength 1.185 0.7875
Average Path Strength 5.59717 5.94643
Maximum Path Strength 22.09 18.0067
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.907117 0.935048
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.7619 5.88235
Average % Of Corr. Nodes 42.2508 54.8447
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 47.5755 45.8358
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 cxcr3_off_on.zip<



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