Orange: nodes, hubs and links specific of ccr5_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ccr5_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 ccr5_off Avg Int. Strength ccr5_on Avg Int. Strength ccr5_off Num Of Links ccr5_on Num Of Links ConSurf
11x60 ccr5_off4.67253.7475425
22x60 ccr5_off11.01412.1733537
33x22 ccr5_off7.85256.0975423
43x40 ccr5_off8.13254.235417
53x44 ccr5_off4.26254.49333437
63x51 ccr5_off7.856.95667538
74x50 ccr5_off8.11757.68167439
8E2.T177 ccr5_off8.2554.3075422
95x39 ccr5_off7.34255.725415
105x50 ccr5_off4.5885.61833539
115x61 ccr5_off3.9555.25167438
126x41 ccr5_off5.22254.1325428
136x45 ccr5_off6.1344.685525
146x51 ccr5_off7.547512.6783437
15E3.N267 ccr5_off6.4952.0075423
167x45 ccr5_off6.25810.315539
177x48 ccr5_off4.943.4775426
18Lig Shared40.726131.366233340
191x39 Shared7.4956.9425648
202x42 Shared8.597.189457
212x63 Shared6.4466.735544
22E1x50 Shared9.2083310.386659
233x32 Shared9.56757.912457
243x37 Shared5.601676.30375647
253x41 Shared3.723.578455
263x42 Shared8.84759.07447
27I2x57 Shared7.2456.461456
284x64 Shared8.82258.75445
29E2.F182 Shared7.6655.8625445
305x35 Shared10.3149.361553
315x58 Shared5.5956.15917469
326x44 Shared10.22756.15667469
336x48 Shared9.779.88125549
347x53 Shared4.9355.086459
358x50 Shared4.6026.059558
361x24 ccr5_on11.835.30125343
371x47 ccr5_on4.344.6275246
382x50 ccr5_on9.4256.92625249
392x53 ccr5_on6.963338.26347
40E1x52 ccr5_on10.918.44375347
413x36 ccr5_on7.813335.81875347
423x49 ccr5_on10.018.1125348
436x47 ccr5_on8.366676.48125348
446x55 ccr5_on6.867.73875346
456x59 ccr5_on12.97.68375245
467x34 ccr5_on6.7455.45875245
477x37 ccr5_on4.946674.44875347
487x42 ccr5_on85.578358
497x49 ccr5_on5.316677.02875349
   
Orange: nodes, hubs and links specific of ccr5_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ccr5_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 ccr5_off Recurrence ccr5_on Recurrence ccr5_off Hub1? ccr5_on Hub1? ccr5_off Hub2? ccr5_on Hub2? ConSurf1 ConSurf2
17x35 7x39 ccr5_off11.14890NoNoNoNo36
21x39 7x42 ccr5_off10.22087.44616YesYesNoYes88
32x60 Lig ccr5_off23.10065.07311YesNoYesYes70
42x54 7x46 ccr5_off10.76910NoNoNoNo68
51x50 2x50 ccr5_off13.12712.56925NoNoNoYes99
67x45 7x49 ccr5_off17.93290YesNoNoYes99
76x48 7x45 ccr5_off33.48989.44084YesYesYesNo99
86x48 6x51 ccr5_off1000YesYesYesNo97
96x51 6x55 ccr5_off49.78863.79782YesNoNoYes76
106x51 7x38 ccr5_off53.56942.46648YesNoNoNo76
117x38 Lig ccr5_off48.08630NoNoYesYes60
127x53 8x50 ccr5_off26.27940YesYesYesYes98
136x40 7x53 ccr5_off33.46120NoNoYesYes89
143x43 6x40 ccr5_off34.98420NoNoNoNo88
153x40 3x43 ccr5_off34.27110YesNoNoNo78
163x40 6x44 ccr5_off45.13691.88723YesNoYesYes79
172x52 4x50 ccr5_off14.39220NoNoYesNo79
183x42 4x50 ccr5_off19.47751.3547YesYesYesNo79
191x56 8x50 ccr5_off20.38782.83552NoNoYesYes78
201x56 8x53 ccr5_off18.81810NoNoNoNo75
211x60 8x53 ccr5_off11.04147.44616YesNoNoNo55
222x38 2x42 ccr5_off15.18061.39674NoNoYesYes67
232x38 I2x57 ccr5_off11.91940NoNoYesYes66
24E1x50 E1x52 ccr5_off17.09795.42346YesYesNoYes97
252x60 E1x50 ccr5_off23.88550YesNoYesYes79
263x25 E1x50 ccr5_off19.20511.79848NoNoYesYes99
273x22 E2.S169 ccr5_off20.50960YesNoNoNo34
283x25 E2.S169 ccr5_off23.90340NoNoNoNo94
293x22 3x26 ccr5_off10.28533.55491YesNoNoNo37
306x44 6x45 ccr5_off42.96520YesYesYesNo95
313x51 5x61 ccr5_off13.09850YesNoYesNo88
325x54 5x58 ccr5_off34.74050NoNoYesYes89
335x54 6x45 ccr5_off33.82670NoNoYesNo85
344x64 E2.F182 ccr5_off10.72615.36273YesYesYesYes55
357x48 7x52 ccr5_off12.72580YesNoNoNo68
367x45 7x48 ccr5_off17.45990YesNoYesNo96
377x30 E3.L266 ccr5_off24.05030NoNoNoNo54
386x58 7x30 ccr5_off27.02488.13285NoNoNoNo45
396x58 6x61 ccr5_off15.05160NoNoNoNo44
406x58 7x34 ccr5_off14.94411.63031NoNoNoYes45
417x34 Lig ccr5_off16.2884.2089NoYesYesYes50
427x26 E3.L266 ccr5_off12.08077.09581NoNoNoNo14
432x53 7x46 Shared12.539434.769NoYesNoNo78
442x53 3x32 Shared16.538883.725NoYesYesYes77
453x32 Lig Shared28.6984100YesYesYesYes70
462x50 7x49 Shared14.736229.4997NoYesNoYes99
476x55 Lig Shared48.061230.9852NoYesYesYes60
486x44 6x48 Shared83.525780.6138YesYesYesYes99
492x44 2x48 Shared12.256326.7389NoNoNoNo66
502x48 2x52 Shared13.327828.0703NoNoNoNo67
513x42 4x49 Shared22.573824.3799YesYesNoNo76
523x41 4x49 Shared43.463343.3596YesYesNoNo56
533x37 3x41 Shared46.74653.0714YesYesYesYes75
543x33 3x37 Shared40.191429.0279NoNoYesYes57
553x32 3x33 Shared36.783329.794YesYesNoNo75
562x42 3x45 Shared22.355219.0685YesYesNoNo76
573x45 4x49 Shared23.351520.3718NoNoNoNo66
582x63 E1x50 Shared17.155217.555YesYesYesYes49
592x63 Lig Shared31.006318.9144YesYesYesYes40
603x36 3x37 Shared29.27928.2665NoYesYesYes77
613x36 6x48 Shared31.135392.6379NoYesYesYes79
625x58 5x61 Shared25.741815.8032YesYesYesNo98
63E2.F182 Lig Shared13.349315.5463YesYesYesYes50
646x61 Lig Shared16.248617.0365NoNoYesYes40
651x24 Lig ccr5_on4.490427.435NoYesYesYes30
661x24 1x27 ccr5_on3.1429221.0165NoYesNoNo31
671x27 7x32 ccr5_on1.5732519.3161NoNoNoNo11
681x30 7x32 ccr5_on017.6064NoNoNoNo21
692x53 7x42 ccr5_on4.3542153.7394NoYesNoYes78
701x30 1x33 ccr5_on010.6741NoNoNoNo23
711x42 7x42 ccr5_on033.3115NoNoNoYes78
721x43 2x58 ccr5_on1.6664310.2023NoNoNoNo79
732x57 2x58 ccr5_on3.3292711.6457NoNoNoNo79
742x57 7x42 ccr5_on013.0798NoNoNoYes78
752x50 7x46 ccr5_on033.774NoYesNoNo98
767x55 8x50 ccr5_on017.3168NoNoYesYes78
777x51 7x55 ccr5_on1.6628422.6888NoNoNoNo67
787x48 7x51 ccr5_on3.322129.4016YesNoNoNo66
797x47 7x48 ccr5_on030.7143NoNoYesNo86
801x42 7x47 ccr5_on032.0176NoNoNoNo78
812x52 3x31 ccr5_on029.3923NoNoNoNo75
822x56 3x31 ccr5_on1.4549930.7049NoNoNoNo75
832x56 3x32 ccr5_on032.0082NoNoYesYes77
841x58 I1x49 ccr5_on015.7519NoNoNoNo35
85I1x49 I1x50 ccr5_on017.1579NoNoNoNo56
862x44 I1x50 ccr5_on4.554922.6888NoNoNoNo66
871x58 1x59 ccr5_on3.4260314.3364NoNoNoNo34
881x59 8x57 ccr5_on011.4682NoNoNoNo44
892x49 3x38 ccr5_on2.2828316.7562NoNoNoNo87
903x38 3x42 ccr5_on017.8493NoNoYesYes77
912x53 3x36 ccr5_on061.1622NoYesNoYes77
923x36 5x43 ccr5_on9.8659734.5915NoYesNoNo75
935x43 6x55 ccr5_on034.3346NoNoNoYes56
94E2.E172 Lig ccr5_on1.3367310.4545NoNoYesYes20
953x34 3x35 ccr5_on012.6921NoNoNoNo58
962x49 3x35 ccr5_on0.0035837214.0561NoNoNoNo88
977x49 7x53 ccr5_on028.1216NoYesYesYes99
985x50 6x44 ccr5_on013.0425YesNoYesYes99
993x47 5x54 ccr5_on057.5419NoNoNoNo98
1005x54 6x44 ccr5_on058.7238NoNoYesYes89
1013x47 5x58 ccr5_on041.3042NoNoYesYes99
1023x51 5x57 ccr5_on1.6592616.6441YesNoNoNo88
1033x47 5x57 ccr5_on018.4472NoNoNoNo98
1043x50 5x58 ccr5_on021.3949NoNoYesYes99
1053x50 7x53 ccr5_on021.8573NoNoYesYes99
1065x51 6x44 ccr5_on014.869NoNoYesYes69
1075x58 6x37 ccr5_on3.1321728.7196YesYesNoNo98
1085x62 6x37 ccr5_on026.155NoNoNoNo48
1095x62 6x34 ccr5_on023.5811NoNoNoNo46
1105x68 6x30 ccr5_on010.5713NoNoNoNo07
1116x30 6x34 ccr5_on018.4052NoNoNoNo76
1126x57 7x30 ccr5_on011.2627NoNoNoNo45
1138x48 8x50 ccr5_on010.3611NoNoYesYes58

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
E2x52LigShared16.773.931110
E2.F182LigShared7.134.811110
5x40LigShared7.883.941110
6x55LigShared4.445.191110
2x60LigShared28.3722.761110
3x29LigShared8.747.7851110
4x65Ligccr5_off6.9901010
3x32LigShared13.918.931110
7x38Ligccr5_off7.3701010
2x63LigShared7.037.621110
7x35LigShared17.857.8251110
E2x51LigShared18.059.41010
1x24LigShared8.855.411110
7x31LigShared11.228.031010
7x34LigShared7.885.1351110
1x28LigShared4.2312.9450110
1x31Ligccr5_off4.7300010
E2.E172LigShared22.5925.8951110
E2.T177LigShared4.254.2451110
LigNT.P19Shared22.3113.221101
LigNT.C20ccr5_off4.1901101
6x61LigShared11.285.051110
E3.N267LigShared7.172.71110
7x27LigShared5.283.960010
LigNT.S17Shared11.043.261101
E2.K171Ligccr5_off10.801010
E2.G173Ligccr5_off5.1201010
E2.Q170LigShared5.869.041110
E2.Y184LigShared22.8820.5151010
5x32LigShared23.7720.0851110
7x24NT.C20Shared7.287.280021
7x28NT.C20ccr5_off4.7200021
1x241x27Shared19.733.7951112
1x247x31ccr5_off6.9101111
2x533x32Shared10.3215.4750021
2x537x42Shared4.985.5950022
2x562x60ccr5_off9.700021
2x60E1x50ccr5_off6.5601112
2x603x32ccr5_off5.7901111
2x607x42ccr5_off4.6501112
2x63E1x50Shared9.659.1651112
2x63E2.H175ccr5_off6.5301112
2x63E2.T177Shared4.994.371111
2x63E2x50ccr5_off4.0301112
E1x50E2x50Shared16.9811.11122
3x294x65Shared14.138.6351111
3x323x33Shared8.255.671112
3x334x61Shared19.3311.7750022
4x605x39ccr5_off6.3200021
4x615x39ccr5_off9.2406021
4x615x42ccr5_off5.606022
4x64E2.F182Shared10.725.8950121
4x645x35Shared15.0313.530122
4x645x39ccr5_off7.0300121
E2.E172E2.Q170ccr5_off12.7401111
E2.H181E2.Q170Shared11.1311.7450111
E2.K171E2.Y176Shared17.917.7651012
E2.E172E2.T177ccr5_off16.9301111
E2.H175E2.T177ccr5_off6.8501021
E2.H181E2x51ccr5_off5.5800111
E2.F182E2x52ccr5_off6.6101111
5x36E2.F182ccr5_off6.200021
E2.S185E2.Y184ccr5_off6.3600021
5x325x36Shared8.366.571112
5x395x42ccr5_off6.7806012
5x406x55ccr5_off4.4201111
5x406x59Shared14.1312.561112
6x516x55Shared11.7215.8250021
6x517x38Shared6.7313.470021
6x586x61ccr5_off6.600111
6x587x30Shared5.496.180112
6x587x34Shared5.614.910111
6x61E3.N267ccr5_off3.9601111
6x62E3.N267Shared13.151.3150021
7x30E3.L266ccr5_off5.5400022
7x357x38ccr5_off11.4701111
7x357x39ccr5_off5.6701112
3x21E1x50ccr5_off2.8100022
E2.G173E2.L174ccr5_off1.7101011
6x65E3.N267ccr5_off1.700021
NT.S17NT.T16ccr5_off1.601011
NT.E18NT.P19Shared1.573.930111
LigNT.Q21Shared1.446.891101
1x25NT.Q21ccr5_off1.3700021
LigNT.E18ccr5_on07.091101
1x241x28ccr5_on04.311111
1x247x28ccr5_on07.691112
1x317x35ccr5_on04.550011
2x563x32ccr5_on04.9950021
2x602x63ccr5_on05.7851111
2x603x28ccr5_on07.9751112
E1x50E2.S169ccr5_on04.941122
4x65E2x52ccr5_on05.61011
E2.Q170E2.R168ccr5_on05.261112
E2.H181E2.R168ccr5_on013.5450112
E2.H181Ligccr5_on07.80110
5x32E2.F182ccr5_on07.7351111
5x35E2.F182ccr5_on05.018121
5x366x59ccr5_on06.0050022
5x39Ligccr5_on05.7256010
5x436x55ccr5_on04.9950021
6x547x34ccr5_on06.8450021
6x557x34ccr5_on04.9451111
6x58Ligccr5_on06.7150110
6x61E3.L266ccr5_on03.991112
6x617x30ccr5_on05.321112
3x327x38ccr5_on04.491111
E2.E172E2.H175ccr5_on08.6151112
LigNT.T16ccr5_on02.5851101
E2.E172E2.G173ccr5_on02.4551111
7x247x28ccr5_on02.360022
1x32Ligccr5_on02.3150010
E2.K171E2.S169ccr5_on02.2951012
3x21E2.K171ccr5_on01.7450021
E2.L174Ligccr5_on01.330010

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
ccr5_off 5UIW-CCR5-5P7-CCL5
ccr5_on 7O7F-CCR5-6P4-CCL5-Gi1/β1/γ1
7F1Q-CCR5-MIP-1a-Gi1/β1/γ2
Network Difference
Value ccr5_off ccr5_on
Imin 3.89 3.86
Number of Linked Nodes 283 291
Number of Specific Nodes 5 (1.77%) 13  (4.47%)
Number of Shared Nodes 278 (98.23%) 278  (95.53%)
Number of Links 320 321
Number of Specific Links 138 (43.13%) 139  (43.30%)
Number of Shared Links 182 (56.88%) 182  (56.70%)
Number of Hubs 35 32
Number of Specific Hubs 17 (48.57%) 14  (43.75%)
Number of Shared Hubs 18 (51.43%) 18  (56.25%)
Average % Shared Neighbours (Jaccard) 42.03
Average % Shared Neighbours (Otsuka) 52.34
Average % Shared Neighbours (Overlap Coefficient) 62.47
Average % Shared Cliques (k3-6) 77.38
Graphlets Similarity 0.576379
Paths Difference
Value ccr5_off ccr5_on
Number Of Nodes in MetaPath 63 70
Specific Nodes in MetaPath 30 (47.62%) 37  (52.86%)
Shared Nodes in MetaPath 278 (98.23%) 278  (98.23%)
Number Of Links MetaPath 64 71
Specific Links in MetaPath 42 (65.63%) 49  (69.01%)
Shared Links in MetaPath 182 (56.88%) 182  (56.88%)
Number of Shortest Paths 64168 54529
Length Of Smallest Path 3 3
Average Path Length 11.6651 12.0437
Length of Longest Path 28 30
Minimum Path Strength 1.405 0.675
Average Path Strength 7.41246 6.35337
Maximum Path Strength 20.6133 19.09
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.941866 0.937417
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.7619 4.54545
Average % Of Corr. Nodes 59.2819 57.8784
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 45.3969 42.9826
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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