Orange: nodes, hubs and links specific of cxcr4_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cxcr4_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 cxcr4_off Avg Int. Strength cxcr4_on Avg Int. Strength cxcr4_off Num Of Links cxcr4_on Num Of Links ConSurf
11x30 cxcr4_off4.613336.13534
21x47 cxcr4_off2.625834.28415
33x35 cxcr4_off6.28755.60667438
43x49 cxcr4_off7.5758311.6033438
53x50 cxcr4_off3.716675.075429
64x50 cxcr4_off4.8828.21667539
7E2.R183 cxcr4_off5.31254.83667433
8E2x52 cxcr4_off9.13610.4367535
95x61 cxcr4_off1.97754.37428
106x44 cxcr4_off6.860566.06639
117x30 cxcr4_off3.40753.79333435
127x38 cxcr4_off7.5773314.8467535
137x45 cxcr4_off7.76257.60333439
147x50 cxcr4_off5.563334.475429
151x35 Shared4.345833.728456
161x39 Shared5.271334.985547
171x50 Shared6.255835.01449
182x38 Shared4.326674.8625446
192x42 Shared5.457.2475547
202x53 Shared8.57754.998457
212x60 Shared7.7133311.9475547
22E1x50 Shared7.032389.76749
23E1x52 Shared8.6433310.35447
243x29 Shared6.056675.7675446
253x32 Shared7.201678.29646
263x37 Shared5.76756.3475447
273x45 Shared4.742673.635545
283x51 Shared5.57257.9625448
29I2x57 Shared6.9947.5556
30E2.Y190 Shared7.928678.05833564
315x35 Shared7.337337.33555
325x39 Shared4.90757.98445
336x48 Shared7.981336.934559
346x51 Shared7.85257.89467
357x42 Shared7.1547.484557
367x53 Shared7.874176.305449
37Lig Shared22.859356.349624220
381x57 cxcr4_on4.94.1175346
392x43 cxcr4_on17.25836.5475248
403x25 cxcr4_on5.307785.74349
414x49 cxcr4_on4.158335.0925247
424x61 cxcr4_on8.925567.8225344
43E2.N192 cxcr4_on6.176674.695241
445x58 cxcr4_on3.027.848358
456x52 cxcr4_on8.354458.448358
467x31 cxcr4_on4.29.8375344
477x52 cxcr4_on4.2252.8275247
488x50 cxcr4_on2.856676.64150
   
Orange: nodes, hubs and links specific of cxcr4_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cxcr4_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 cxcr4_off Recurrence cxcr4_on Recurrence cxcr4_off Hub1? cxcr4_on Hub1? cxcr4_off Hub2? cxcr4_on Hub2? ConSurf1 ConSurf2
11x35 1x39 cxcr4_off11.23741.32739YesYesYesYes67
26x51 7x38 cxcr4_off26.61134.14926YesYesYesNo75
37x38 Lig cxcr4_off23.84570.4502YesNoYesYes50
4E1x49 E2.R183 cxcr4_off12.83086.38169NoNoYesNo43
5E2.R183 Lig cxcr4_off14.85340YesNoYesYes30
61x42 2x57 cxcr4_off12.98970NoNoNoNo78
72x53 2x57 cxcr4_off14.24540YesYesNoNo78
81x42 7x43 cxcr4_off11.72611.61515NoNoNoNo75
91x47 2x54 cxcr4_off12.51290YesNoNoNo56
102x54 7x46 cxcr4_off16.62167.45846NoNoNoNo69
112x50 3x35 cxcr4_off83.96250NoNoYesNo98
122x53 3x35 cxcr4_off64.96860YesYesYesNo78
137x45 7x46 cxcr4_off29.2220YesNoNoNo99
143x35 7x45 cxcr4_off26.83780YesNoYesNo89
156x48 6x51 cxcr4_off31.18890YesYesYesYes97
161x50 7x50 cxcr4_off93.75357.45846YesYesYesNo99
172x43 7x53 cxcr4_off15.77920NoYesYesYes89
182x43 7x49 cxcr4_off17.20970NoYesNoNo89
197x49 7x50 cxcr4_off91.4170NoNoYesNo99
201x57 7x53 cxcr4_off10.14460NoYesYesYes69
212x38 3x49 cxcr4_off12.41757.03147YesYesYesNo68
223x49 3x50 cxcr4_off15.40170YesNoYesNo89
232x45 4x45 cxcr4_off10.17251.87506NoNoNoNo95
242x42 4x45 cxcr4_off21.70790YesYesNoNo75
254x45 4x46 cxcr4_off10.17640NoNoNoNo57
262x63 E1x50 cxcr4_off21.63630NoNoYesYes59
272x63 Lig cxcr4_off21.43770NoNoYesYes50
28E2x52 Lig cxcr4_off22.09330YesNoYesYes50
293x35 3x39 cxcr4_off15.2150YesNoNoNo89
303x40 6x44 cxcr4_off22.96750NoNoYesNo79
313x40 5x50 cxcr4_off21.0887.56985NoNoNoNo79
323x41 5x50 cxcr4_off19.20050NoNoNoNo59
333x43 6x44 cxcr4_off36.00890NoNoYesNo89
343x43 6x41 cxcr4_off21.19530NoNoNoNo87
353x47 5x54 cxcr4_off15.5050.0974659NoNoNoNo97
365x54 6x41 cxcr4_off19.30380NoNoNoNo77
373x51 3x52 cxcr4_off10.37110YesYesNoNo85
383x52 I2x57 cxcr4_off14.69841.8008NoNoYesYes56
395x45 5x49 cxcr4_off13.49045.08215NoNoNoNo46
403x41 5x49 cxcr4_off15.40170NoNoNoNo56
416x40 7x52 cxcr4_off11.67858.73016NoNoNoYes77
423x43 6x40 cxcr4_off13.59770NoNoNoNo87
436x58 7x30 cxcr4_off13.02150NoNoYesNo55
443x39 6x44 cxcr4_off14.50370NoNoYesNo99
456x44 7x45 cxcr4_off27.1080YesNoYesNo99
463x32 Lig Shared53.389541.4508YesYesYesYes60
472x53 3x32 Shared53.838547.8511YesYesYesYes76
482x50 7x46 Shared26.432594.036NoNoNoNo99
496x48 7x45 Shared18.755515.873YesYesYesNo99
501x50 2x50 Shared10047.3777YesYesNoNo99
512x42 3x49 Shared45.736319.289YesYesYesNo78
522x42 3x45 Shared67.7731.2633YesYesYesYes75
533x45 4x49 Shared76.237844.7972YesYesNoYes57
543x42 4x49 Shared77.290855.1564NoNoNoYes77
552x46 3x42 Shared78.304156.2749NoNoNoNo97
562x46 7x49 Shared79.309457.4028NoNoNoNo99
573x49 I2x57 Shared18.489210.5495YesNoYesYes86
586x44 6x48 Shared19.220442.7225YesNoYesYes99
59E2.Y190 E2x52 Shared11.551315.5388YesYesYesNo45
606x58 Lig Shared16.248120.918NoNoYesYes50
611x27 7x31 cxcr4_on1.0768529.1841NoNoNoYes64
627x31 7x35 cxcr4_on1.219931.4768NoYesNoNo45
637x35 Lig cxcr4_on034.2755NoNoYesYes50
641x27 7x32 cxcr4_on021.8277NoNoNoNo62
651x30 7x32 cxcr4_on2.9047118.8202YesNoNoNo42
661x30 1x34 cxcr4_on3.6795715.7755YesNoNoNo45
671x34 1x38 cxcr4_on2.4596712.6938NoNoNoNo55
681x38 1x42 cxcr4_on011.139NoNoNoNo57
692x53 7x46 cxcr4_on0100YesYesNoNo79
702x53 7x42 cxcr4_on9.5525747.9903YesYesYesYes77
717x42 Lig cxcr4_on041.488YesYesYesYes70
721x53 2x47 cxcr4_on1.4980532.2844NoNoNoNo89
731x50 2x47 cxcr4_on2.6782235.7143YesYesNoNo99
741x53 8x50 cxcr4_on030.5532NoNoNoYes80
752x43 8x50 cxcr4_on014.7452NoYesNoYes80
762x50 7x49 cxcr4_on058.5306NoNoNoNo99
772x38 4x38 cxcr4_on7.4465610.647YesYesNoNo66
782x42 3x46 cxcr4_on2.801413.6731YesYesNoNo78
794x49 4x50 cxcr4_on012.9908NoYesYesNo79
802x56 2x60 cxcr4_on011.8398NoNoYesYes67
812x53 7x45 cxcr4_on017.6552YesYesYesNo79
823x25 E1x50 cxcr4_on1.1920811.074NoYesYesYes99
833x25 3x29 cxcr4_on020.2683NoYesYesYes96
843x29 Lig cxcr4_on7.7127947.2153YesYesYesYes60
85E2.I185 Lig cxcr4_on012.4988NoNoYesYes30
863x29 4x61 cxcr4_on5.6385627.4158YesYesNoYes64
873x37 5x43 cxcr4_on9.2744214.592YesYesNoNo74
886x51 Lig cxcr4_on039.3855YesYesYesYes70
896x40 7x53 cxcr4_on014.7962NoNoYesYes79
905x58 6x40 cxcr4_on019.4421NoYesNoNo87
915x58 6x41 cxcr4_on039.5155NoYesNoNo87
925x55 6x41 cxcr4_on040.0492NoNoNoNo47
935x55 6x45 cxcr4_on041.0517NoNoNoNo44
946x44 6x45 cxcr4_on1.9629741.1909YesNoNoNo94
956x48 6x52 cxcr4_on8.6386438.6661YesYesNoYes98
966x51 6x52 cxcr4_on030.3212YesYesNoYes78
973x47 5x58 cxcr4_on7.8121313.5246NoNoNoYes98
983x47 5x57 cxcr4_on5.87312.4339NoNoNoNo96
993x51 5x57 cxcr4_on010.0204YesYesNoNo86
1006x31 6x34 cxcr4_on013.6267NoNoNoNo55
1015x62 6x34 cxcr4_on014.8102NoNoNoNo45
1025x62 6x37 cxcr4_on018.305NoNoNoNo47
1035x58 6x37 cxcr4_on019.4514NoYesNoNo87
1044x61 E2x52 cxcr4_on5.8968420.5003NoYesYesNo45
1056x51 7x37 cxcr4_on9.7631710.1132YesYesNoNo76
1066x58 7x34 cxcr4_on2.4358315.2047NoNoNoNo54
1077x26 7x30 cxcr4_on3.6438111.074NoNoYesNo15
1087x30 7x34 cxcr4_on013.6963YesNoNoNo54
1093x46 7x53 cxcr4_on012.8098NoNoYesYes89

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.M24cxcr4_off4.7301101
LigNT.P27Shared12.3813.381101
7x24NT.C28Shared4.853337.280022
LigNT.F29Shared4.811.731101
1x247x28cxcr4_off6.4266701012
1x24Ligcxcr4_off5.9066701010
1x277x28Shared4.086674.090022
1x277x31Shared3.412.750021
1x301x31cxcr4_off4.0266701022
1x311x35Shared4.576674.121121
1x351x39Shared6.643337.031111
1x392x60cxcr4_off6.7533301111
1x397x39cxcr4_off4.4466701112
1x397x42Shared5.846676.191111
2x533x32Shared5.166.191121
2x537x42Shared11.796.431121
2x563x28cxcr4_off4.2300022
2x603x32Shared8.683339.651111
2x607x38cxcr4_off5.8133301111
2x607x42cxcr4_off5.6801111
2x60LigShared11.636727.181110
2x63E1x50cxcr4_off5.5833301012
2x63E2.R183Shared4.763338.341011
2x63Ligcxcr4_off12.456701010
E1x49E2.R183Shared6.833332.410021
3x25E1x50Shared5.223337.841122
3x28E1x50cxcr4_off4.0866700022
3x294x61Shared5.467.561112
3x294x65Shared7.316675.851112
3x29E2x52cxcr4_off5.2633301111
3x29LigShared6.186675.241110
3x323x36cxcr4_off9.3801112
3x327x38cxcr4_off4.8633301111
3x327x42Shared5.846676.191111
3x365x43cxcr4_off4.2866700022
4x60E2x52Shared4.806677.210021
4x61E2x52Shared10.7210.721021
E2.F189E2.S178Shared4.406679.251112
E2.A180E2.I185Shared4.333331.620021
E2.D181Ligcxcr4_off8.9701010
E2.I185E2.R183Shared5.846673.760111
E2.R183Ligcxcr4_off3.8066701010
E2.I185E2x51cxcr4_off5.8366700111
E2.F189E2x51Shared5.113334.781111
E2x51LigShared8.9233312.391110
E2.Y190E2x52Shared13.7213.381121
5x436x52Shared4.3566710.890122
6x486x51cxcr4_off6.7533307021
6x486x52Shared5.466678.687022
6x516x55Shared9.266679.670111
6x517x37Shared4.163333.750112
6x517x38Shared11.226716.830111
6x587x30cxcr4_off3.4066701112
6x587x34Shared4.666674.21112
6x58LigShared9.745.961110
6x62LigShared6.876.071110
6x64E3.K271cxcr4_off6.7500012
7x27Ligcxcr4_off9.1266701010
7x31Ligcxcr4_off5.9466701110
7x387x42Shared6.6066712.831111
7x38LigShared9.3766714.881110
1x301x35cxcr4_off4.0601021
3x32LigShared9.2766711.131110
E2x52Ligcxcr4_off11.1701010
E2.F189LigShared10.973314.971110
5x40Ligcxcr4_off7.500010
7x247x27cxcr4_off3.5466700021
7x317x35Shared3.253336.971111
LigNT.K25cxcr4_off3.1866701101
1x25NT.F29cxcr4_off3.1100021
E2.D181E2.D182Shared3.1033310.651012
1x392x61Shared2.666672.671112
5x33Ligcxcr4_off2.6100010
1x352x64Shared2.103331.581111
NT.E26NT.P27cxcr4_off1.5700111
LigNT.S23cxcr4_off1.3166701101
6x556x59cxcr4_off1.0333300112
5x376x62Shared0.9933334.470021
1x39Ligcxcr4_on04.051110
7x42Ligcxcr4_on05.781110
6x51Ligcxcr4_on03.790110
6x55Ligcxcr4_on04.610110
1x35Ligcxcr4_on04.271110
7x35Ligcxcr4_on04.890110
6x64Ligcxcr4_on011.650010
E2.I185Ligcxcr4_on08.470110
NT.E26NT.K25cxcr4_on09.450111
NT.F29NT.P27cxcr4_on08.671111
7x27NT.C28cxcr4_on06.081012
1x247x31cxcr4_on015.81011
1x317x31cxcr4_on03.831121
1x317x35cxcr4_on05.961121
2x562x60cxcr4_on06.060021
2x603x28cxcr4_on04.91112
3x253x29cxcr4_on04.421121
5x376x59cxcr4_on04.850022
5x406x58cxcr4_on05.220011
5x406x59cxcr4_on05.780012
5x436x51cxcr4_on04.360121
6x516x52cxcr4_on08.940112
7x247x28cxcr4_on04.720022
2x533x36cxcr4_on03.651122
LigNT.E26cxcr4_on03.491101
7x307x34cxcr4_on03.070022
5x446x55cxcr4_on02.940021
1x351x36cxcr4_on01.641112
2x64Ligcxcr4_on01.580110
5x33E2.N192cxcr4_on01.350012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
cxcr4_off 4RWS-CXCR4-vMIP-II
3OE0-CXCR4-CVX15
3OE6-CXCR4-IT1t
cxcr4_on 8K3Z-CXCR4-CXCL12-Gi1/β1/γ1
Network Difference
Value cxcr4_off cxcr4_on
Imin 3.37667 3.72
Number of Linked Nodes 277 271
Number of Specific Nodes 18 (6.50%) 12  (4.43%)
Number of Shared Nodes 259 (93.50%) 259  (95.57%)
Number of Links 307 301
Number of Specific Links 134 (43.65%) 128  (42.52%)
Number of Shared Links 173 (56.35%) 173  (57.48%)
Number of Hubs 37 34
Number of Specific Hubs 14 (37.84%) 11  (32.35%)
Number of Shared Hubs 23 (62.16%) 23  (67.65%)
Average % Shared Neighbours (Jaccard) 42.17
Average % Shared Neighbours (Otsuka) 50.20
Average % Shared Neighbours (Overlap Coefficient) 57.24
Average % Shared Cliques (k3-6) 55.00
Graphlets Similarity 0.590992
Paths Difference
Value cxcr4_off cxcr4_on
Number Of Nodes in MetaPath 58 65
Specific Nodes in MetaPath 27 (46.55%) 34  (52.31%)
Shared Nodes in MetaPath 259 (93.50%) 259  (93.50%)
Number Of Links MetaPath 60 64
Specific Links in MetaPath 45 (75.00%) 49  (76.56%)
Shared Links in MetaPath 173 (56.35%) 173  (56.35%)
Number of Shortest Paths 51614 46494
Length Of Smallest Path 3 3
Average Path Length 13.2477 12.7222
Length of Longest Path 28 30
Minimum Path Strength 0.618333 1.36
Average Path Strength 6.46723 6.35879
Maximum Path Strength 17.2583 17.1333
Minimum Path Correlation 0.703333 0.71
Average Path Correlation 0.931811 0.950729
Maximum Path Correlation 0.986667 0.99
Minimum % Of Corr. Nodes 4.34783 4.7619
Average % Of Corr. Nodes 50.0319 60.5992
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 45.6622 39.9077
Maximum Path Hubs % 100 100

Details about the values in these tables can be found in the corresponding documentation page .

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