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_off7.383.7475425
23x22 ccr5_off7.85256.0975423
33x40 ccr5_off8.13254.235417
43x44 ccr5_off4.26254.49333437
53x51 ccr5_off7.856.95667538
65x39 ccr5_off7.34255.705415
75x50 ccr5_off4.5885.61833539
85x61 ccr5_off3.9555.25167438
96x41 ccr5_off5.22254.1325428
106x45 ccr5_off6.1344.685525
116x51 ccr5_off7.547512.6783437
12E3.N267 ccr5_off6.4952.0075423
137x45 ccr5_off6.25810.315539
141x39 Shared7.4956.9425648
152x42 Shared8.597.189457
162x60 Shared11.01410.0675547
172x63 Shared6.4256.735444
18E1x50 Shared9.208339.28669
193x32 Shared9.56757.912457
203x37 Shared5.601676.30375647
213x41 Shared3.723.578455
223x42 Shared8.84759.07447
23I2x57 Shared7.2456.22466
244x50 Shared8.11756.68875449
254x64 Shared8.82258.75445
26E2.F182 Shared7.665.73375445
275x35 Shared10.3149.361553
285x58 Shared5.5956.15917469
296x44 Shared10.22756.15667469
306x48 Shared9.779.88125549
317x53 Shared4.9355.086459
328x50 Shared4.6026.059558
33Lig Shared42.424531.359933340
341x24 ccr5_on8.266675.30125343
351x47 ccr5_on4.344.6275246
362x49 ccr5_on4.034.18125348
372x50 ccr5_on9.4256.92625249
382x53 ccr5_on6.963338.26347
39E1x52 ccr5_on10.918.44375347
403x36 ccr5_on7.813335.81875347
413x49 ccr5_on10.018.1125348
426x47 ccr5_on8.366676.48125348
436x55 ccr5_on6.853337.73375346
446x59 ccr5_on12.97.68375245
457x34 ccr5_on6.7455.45875245
467x37 ccr5_on4.946674.44875347
477x42 ccr5_on85.578358
487x49 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_off11.90130NoNoNoNo36
21x39 7x42 ccr5_off11.83366.79078YesYesNoYes88
32x54 7x46 ccr5_off11.59060NoNoNoNo68
41x50 2x50 ccr5_off14.14852.37226NoNoNoYes99
57x45 7x49 ccr5_off19.32420YesNoNoYes99
66x48 7x45 ccr5_off24.998.80955YesYesYesNo99
76x48 6x51 ccr5_off1000YesYesYesNo97
86x51 6x55 ccr5_off49.65733.6173YesNoNoYes76
96x51 7x38 ccr5_off53.64572.34083YesNoNoNo76
107x38 Lig ccr5_off47.83650NoNoYesYes60
117x53 8x50 ccr5_off28.26920YesYesYesYes98
126x40 7x53 ccr5_off35.9790NoNoYesYes89
133x43 6x40 ccr5_off37.61650NoNoNoNo88
143x40 3x43 ccr5_off36.49290YesNoNoNo78
153x40 6x44 ccr5_off48.03171.73206YesNoYesYes79
162x52 4x50 ccr5_off16.8420NoNoYesYes79
171x56 8x50 ccr5_off21.9422.59613NoNoYesYes78
181x56 8x53 ccr5_off20.25260NoNoNoNo75
191x60 8x53 ccr5_off13.61466.79078YesNoNoNo55
202x38 2x42 ccr5_off23.17717.58415NoNoYesYes67
212x38 I2x57 ccr5_off19.71876.34303NoNoYesYes66
222x59 E1x52 ccr5_off10.43510.0549861NoNoNoYes67
23E1x50 E1x52 ccr5_off18.59519.31621YesYesNoYes97
243x25 E1x50 ccr5_off20.74673.10278NoNoYesYes99
253x22 E2.S169 ccr5_off21.98980YesNoNoNo34
263x25 E2.S169 ccr5_off25.62750NoNoNoNo94
273x22 3x26 ccr5_off11.02883.20097YesNoNoNo37
286x44 6x45 ccr5_off50.39050YesYesYesNo95
293x50 3x53 ccr5_off16.45950NoNoNoNo98
303x53 I2x57 ccr5_off17.5992.55292NoNoYesYes86
313x51 5x61 ccr5_off14.11670YesNoYesNo88
325x54 5x58 ccr5_off42.23440NoNoYesYes89
335x54 6x45 ccr5_off40.820NoNoYesNo85
344x64 E2.F182 ccr5_off11.30374.82699YesYesYesYes55
356x29 6x33 ccr5_off14.27210NoNoNoNo68
363x50 6x33 ccr5_off15.3040NoNoNoNo98
376x29 6x32 ccr5_off13.10860NoNoNoNo67
386x32 8x48 ccr5_off10.74990NoNoNoNo75
397x30 E3.L266 ccr5_off26.03790NoNoNoNo54
406x58 7x30 ccr5_off29.25737.26209NoNoNoNo45
416x58 6x61 ccr5_off16.29610NoNoNoNo44
426x58 7x34 ccr5_off16.17661.37072NoNoNoYes45
437x34 Lig ccr5_off17.62693.97471NoYesYesYes50
447x26 E3.L266 ccr5_off13.08076.39017NoNoNoNo14
452x60 3x32 ccr5_off11.46310YesYesYesYes77
462x60 Lig Shared24.432219.7439YesYesYesYes70
472x53 7x46 Shared13.495131.833NoYesNoNo78
482x53 3x32 Shared18.268475.9711NoYesYesYes77
493x32 Lig Shared31.3611100YesYesYesYes70
502x50 7x49 Shared15.881726.8725NoYesNoYes99
516x55 Lig Shared47.824528.6831NoYesYesYes60
526x44 6x48 Shared95.011675.4016YesYesYesYes99
532x44 2x48 Shared14.53124.4963NoNoNoNo66
542x48 2x52 Shared15.690525.7217NoNoNoNo67
553x42 4x50 Shared22.328515.62YesYesYesYes79
563x42 4x49 Shared25.679335.9334YesYesNoNo76
573x41 4x49 Shared53.32756.7535YesYesNoNo56
583x37 3x41 Shared56.657964.6715YesYesYesYes75
593x33 3x37 Shared46.605335.7606NoNoYesYes57
603x32 3x33 Shared42.461636.3497YesYesNoNo75
612x42 3x45 Shared30.651823.4476YesYesNoNo76
623x45 4x49 Shared31.687824.6102NoNoNoNo66
632x60 E1x50 Shared26.177415.3411YesYesYesYes79
642x63 E1x50 Shared18.033315.3607YesYesYesYes49
652x63 Lig Shared28.926616.6372YesYesYesYes40
663x36 3x37 Shared33.715832.3789NoYesYesYes77
673x36 6x48 Shared35.221986.6737NoYesYesYes79
685x58 5x61 Shared32.699814.3946YesYesYesNo98
69E2.F182 Lig Shared14.144614.0254YesYesYesYes50
703x36 5x43 Shared10.443132.0804NoYesNoNo75
716x61 Lig Shared17.59115.3843NoNoYesYes40
721x24 Lig ccr5_on4.8529824.7634NoYesYesYes30
731x24 1x27 ccr5_on3.4066518.9427NoYesNoNo31
741x27 7x32 ccr5_on1.7053217.407NoNoNoNo11
751x30 7x32 ccr5_on015.8635NoNoNoNo21
762x53 7x42 ccr5_on5.2314949.5307NoYesNoYes78
771x42 7x42 ccr5_on030.5526NoNoNoYes78
782x57 2x58 ccr5_on3.6616510.6398NoNoNoNo79
792x57 7x42 ccr5_on011.9516NoNoNoYes78
807x48 7x51 ccr5_on3.5819626.9471NoNoNoNo66
817x47 7x48 ccr5_on028.1568NoNoNoNo86
821x42 7x47 ccr5_on029.3586NoNoNoNo78
832x50 7x46 ccr5_on030.8904NoYesNoNo98
847x55 8x50 ccr5_on015.8321NoNoYesYes78
857x51 7x55 ccr5_on1.7929720.7729NoNoNoNo67
862x52 3x31 ccr5_on026.9392NoNoNoNo75
872x56 3x31 ccr5_on1.5738328.1489NoNoNoNo75
882x56 3x32 ccr5_on029.3508NoNoYesYes77
891x58 I1x49 ccr5_on2.4982114.4103NoNoNoNo35
90I1x49 I1x50 ccr5_on015.6985NoNoNoNo56
912x44 I1x50 ccr5_on4.9685220.7729NoNoNoNo66
921x58 1x59 ccr5_on2.4982113.1142NoNoNoNo34
931x59 8x57 ccr5_on010.4906NoNoNoNo44
942x49 3x38 ccr5_on2.4902414.4653NoYesNoNo87
953x38 3x42 ccr5_on015.6318NoNoYesYes77
962x49 4x50 ccr5_on014.6067NoYesYesYes89
972x53 3x36 ccr5_on057.6922NoYesNoYes77
985x43 6x55 ccr5_on031.8369NoNoNoYes56
99E1x50 E2.S169 ccr5_on012.3915YesYesNoNo94
1003x34 3x35 ccr5_on021.9119NoNoNoNo58
1012x49 3x35 ccr5_on0.0039843824.3078NoYesNoNo88
1023x34 4x57 ccr5_on2.4902412.2501NoNoNoNo57
1037x49 7x53 ccr5_on025.5017NoYesYesYes99
1045x50 6x44 ccr5_on011.983YesNoYesYes99
1053x47 5x54 ccr5_on053.3875NoNoNoNo98
1065x54 6x44 ccr5_on054.5265NoNoYesYes89
1073x47 5x58 ccr5_on038.1368NoNoYesYes99
1083x51 5x57 ccr5_on1.7889915.3018YesNoNoNo88
1093x47 5x57 ccr5_on016.9632NoNoNoNo98
1103x50 5x58 ccr5_on018.9584NoNoYesYes99
1113x50 7x53 ccr5_on019.3865NoNoYesYes99
1125x51 6x44 ccr5_on013.664NoNoYesYes69
1135x58 6x37 ccr5_on3.3787626.1773YesYesNoNo98
1145x62 6x37 ccr5_on023.8365NoNoNoNo48
1155x62 6x34 ccr5_on021.4878NoNoNoNo46
1166x30 6x34 ccr5_on016.7668NoNoNoNo76
1176x57 7x30 ccr5_on010.1057NoNoNoNo45

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
LigNT.S17Shared11.043.261101
LigNT.P19Shared22.3113.221101
7x24NT.C20Shared7.287.280021
7x28NT.C20ccr5_off4.7200021
LigNT.C20ccr5_off4.1901101
1x241x27Shared10.623.7951112
1x241x28Shared4.314.311111
1x24LigShared9.875.411110
1x28E2.H175ccr5_off5.2401112
1x28LigShared4.2312.9451110
1x31Ligccr5_off4.7300010
2x533x32Shared10.3215.4750021
2x537x42Shared4.985.5950022
2x562x60ccr5_off9.700021
2x60E1x50Shared6.563.751112
2x603x32ccr5_off5.7901111
2x607x42ccr5_off4.6501112
2x60LigShared28.3722.761110
2x63E1x50Shared9.659.1651112
2x63E2.T177Shared4.994.371111
2x63E2x50ccr5_off4.0301112
2x63LigShared7.037.621110
E1x50E2x50Shared16.9811.11122
3x294x65Shared14.138.6351111
3x29LigShared8.747.7851110
3x323x33Shared8.255.671112
3x32LigShared13.918.931110
3x334x61Shared19.3311.7750022
4x605x39ccr5_off6.3200021
4x615x39ccr5_off9.2406021
4x615x42ccr5_off5.606022
4x64E2.F182Shared10.725.8950121
4x645x35Shared15.0313.530122
4x645x39ccr5_off7.0300121
4x65Ligccr5_off6.9901010
E2.E172E2.Q170ccr5_off12.7401111
E2.H181E2.Q170Shared11.1311.7450111
E2.Q170LigShared5.869.041110
E2.K171E2.Y176Shared17.917.7651012
E2.K171Ligccr5_off10.801010
E2.E172E2.T177ccr5_off16.9301111
E2.E172LigShared22.5925.8951110
E2.G173Ligccr5_off5.1200010
E2.T177LigShared4.254.2451110
E2.H181E2x51ccr5_off5.5800111
E2x51LigShared18.059.41010
E2.F182E2x52ccr5_off6.6101111
E2x52LigShared16.743.931110
5x36E2.F182ccr5_off6.200021
E2.F182LigShared7.114.811110
E2.S185E2.Y184ccr5_off6.3600021
E2.Y184LigShared22.8820.5151010
5x325x36Shared8.367.761112
5x32LigShared23.7720.0251110
5x395x42ccr5_off6.7806012
5x406x55ccr5_off4.4201111
5x406x59Shared14.1312.561112
5x40LigShared7.843.921110
6x516x55Shared11.7215.8250021
6x517x38Shared6.7313.470021
6x55LigShared4.425.171110
6x586x61ccr5_off6.600111
6x587x30Shared5.496.180112
6x587x34Shared5.614.910111
6x61E3.N267ccr5_off3.9601111
6x61LigShared11.285.051110
6x62E3.N267Shared13.151.3150021
7x30E3.L266ccr5_off5.5400022
E3.N267LigShared7.172.71110
7x27LigShared5.283.960010
7x31LigShared11.228.030010
7x34LigShared7.885.1351110
7x357x38ccr5_off11.4701111
7x357x39ccr5_off5.6701112
7x35LigShared17.857.8251110
7x38Ligccr5_off7.3701010
3x21E1x50ccr5_off2.8100022
6x65E3.N267ccr5_off1.700021
NT.S17NT.T16ccr5_off1.601011
NT.E18NT.P19Shared1.573.930111
LigNT.Q21Shared1.446.891101
E2.H175E2.L174ccr5_off1.2900021
LigNT.E18ccr5_on07.091101
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_on07.221111
5x35E2.F182ccr5_on05.018121
5x366x59ccr5_on06.0050022
5x39Ligccr5_on05.7056010
5x436x55ccr5_on04.9950021
6x547x34ccr5_on06.8450021
6x557x34ccr5_on04.9451111
6x58Ligccr5_on06.710110
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/&β;1/&γ;1
7F1Q-CCR5-MIP-1a-Gi1/&β;1/&γ;2
Network Difference
Value ccr5_off ccr5_on
Imin 3.89 3.705
Number of Linked Nodes 287 291
Number of Specific Nodes 7 (2.44%) 11  (3.78%)
Number of Shared Nodes 280 (97.56%) 280  (96.22%)
Number of Links 321 324
Number of Specific Links 135 (42.06%) 138  (42.59%)
Number of Shared Links 186 (57.94%) 186  (57.41%)
Number of Hubs 33 35
Number of Specific Hubs 13 (39.39%) 15  (42.86%)
Number of Shared Hubs 20 (60.61%) 20  (57.14%)
Average % Shared Neighbours (Jaccard) 42.85
Average % Shared Neighbours (Otsuka) 52.95
Average % Shared Neighbours (Overlap Coefficient) 62.67
Average % Shared Cliques (k3-6) 78.57
Graphlets Similarity 0.615453
Paths Difference
Value ccr5_off ccr5_on
Number Of Nodes in MetaPath 69 69
Specific Nodes in MetaPath 32 (46.38%) 32  (46.38%)
Shared Nodes in MetaPath 280 (97.56%) 280  (97.56%)
Number Of Links MetaPath 71 72
Specific Links in MetaPath 45 (63.38%) 46  (63.89%)
Shared Links in MetaPath 186 (57.94%) 186  (57.94%)
Number of Shortest Paths 60961 63423
Length Of Smallest Path 3 3
Average Path Length 12.0555 12.2787
Length of Longest Path 32 30
Minimum Path Strength 1.45 0.675
Average Path Strength 7.5314 6.41237
Maximum Path Strength 20.6133 19.09
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.942564 0.938226
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.84615 4.54545
Average % Of Corr. Nodes 58.602 58.2645
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 44.5726 45.03
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 ccr5_off_on.zip<



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