Orange: nodes, hubs and links specific of d1_on_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of d1_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 d1_on_allo Avg Int. Strength d1_on Avg Int. Strength d1_on_allo Num Of Links d1_on Num Of Links ConSurf
1I1x49 d1_on_allo500436
2I1x50 d1_on_allo500439
3E1x51 d1_on_allo011.1111431
43x24 d1_on_allo022.2222435
53x28 d1_on_allo10066.6667535
63x32 d1_on_allo10077.7778437
73x33 d1_on_allo022.2222436
83x37 d1_on_allo022.2222436
93x49 d1_on_allo5033.3333439
103x50 d1_on_allo5011.1111439
11I2x52 d1_on_allo500435
12I2x57 d1_on_allo5022.2222427
13E2.H164 d1_on_allo5022.2222435
146x55 d1_on_allo5022.2222436
157x45 d1_on_allo10044.4444439
16Alloh345 d1_on_allo1000900
171x46 Shared066.6667447
181x50 Shared5055.5556449
191x60 Shared10055.5556456
202x42 Shared100100658
212x46 Shared10055.5556459
222x50 Shared10088.8889559
232x57 Shared10066.6667547
242x60 Shared10055.5556446
25E1x50 Shared5077.7778778
26E1x52 Shared5033.3333456
273x43 Shared10066.6667449
28I2x53 Shared100100567
294x50 Shared5033.3333459
304x58 Shared5022.2222445
315x39 Shared10077.7778457
325x47 Shared10088.8889548
335x58 Shared10066.6667769
345x62 Shared033.3333457
356x44 Shared10077.7778759
366x48 Shared100100778
376x51 Shared100100667
386x52 Shared100100757
39E3.I308 Shared00444
407x34 Shared5055.5556444
417x39 Shared10077.7778455
427x42 Shared100100867
437x49 Shared10044.4444449
447x53 Shared100100559
458x50 Shared10077.7778669
468x54 Shared011.1111557
47Lig Shared10010010120
481x39 d1_on011.1111347
491x57 d1_on00348
502x59 d1_on033.3333345
513x51 d1_on055.5556348
525x50 d1_on00249
535x54 d1_on044.4444348
546x29 d1_on00346
556x30 d1_on00248
566x41 d1_on5022.2222358
57E3.C307 d1_on00253
587x38 d1_on00346
   
Orange: nodes, hubs and links specific of d1_on_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of d1_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 d1_on_allo Recurrence d1_on Recurrence d1_on_allo Hub1? d1_on Hub1? d1_on_allo Hub2? d1_on Hub2? ConSurf1 ConSurf2
11x50 7x50 d1_on_allo33.59931.19542YesYesNoNo99
22x53 7x42 d1_on_allo19.31140NoNoYesYes87
32x53 7x46 d1_on_allo18.93083.92594NoNoNoNo89
42x50 7x46 d1_on_allo19.08155.22508YesYesNoNo99
51x53 7x50 d1_on_allo31.41660NoNoNoNo99
61x53 8x54 d1_on_allo29.22343.30619NoNoYesYes97
72x42 I2x57 d1_on_allo20.28380YesYesYesNo87
82x38 I2x57 d1_on_allo13.13060NoNoYesNo67
92x38 4x39 d1_on_allo11.27028.23047NoNoNoNo61
102x42 4x45 d1_on_allo27.71451.65439YesYesNoNo87
112x50 7x49 d1_on_allo15.34235.65035YesYesYesYes99
123x43 7x49 d1_on_allo11.09322.09003YesYesYesYes99
137x42 Lig d1_on_allo29.60650YesYesYesYes70
145x47 6x52 d1_on_allo39.22525.48439YesYesYesYes87
155x47 6x44 d1_on_allo42.54420YesYesYesYes89
162x59 3x28 d1_on_allo14.60778.68686NoYesYesNo55
173x31 4x58 d1_on_allo10.26087.06099NoNoYesYes55
18E1x50 E1x51 d1_on_allo26.74745.00726YesYesYesNo81
19E1x49 E1x51 d1_on_allo22.17853.81703NoNoYesNo41
203x29 3x33 d1_on_allo19.38010NoNoYesNo56
213x29 E2.H164 d1_on_allo14.66060NoNoYesNo55
223x37 5x461 d1_on_allo18.64289.2703YesNoNoNo66
233x43 7x53 d1_on_allo63.1616.29603YesYesYesYes99
245x58 7x53 d1_on_allo46.12480YesYesYesYes99
253x47 5x58 d1_on_allo32.62436.40234NoNoYesYes89
265x54 6x41 d1_on_allo33.21883.93891NoYesNoYes88
275x58 6x41 d1_on_allo30.67151.5014YesYesNoYes98
284x45 Alloh345 d1_on_allo25.92020NoNoYesNo70
295x58 6x40 d1_on_allo15.73613.21025YesYesNoNo98
305x58 5x61 d1_on_allo23.62130YesYesNoNo99
313x54 5x61 d1_on_allo19.69726.59683NoNoNoNo89
323x54 5x64 d1_on_allo15.76785.28731NoNoNoNo86
335x36 5x39 d1_on_allo29.23399.28586NoNoYesYes57
345x36 E2.A166 d1_on_allo19.50960NoNoNoNo52
35E2.A166 E2.S189 d1_on_allo14.63941.11503NoNoNoNo24
365x62 5x66 d1_on_allo26.65754.08412YesYesNoNo76
375x66 6x30 d1_on_allo18.81190.168551NoNoNoYes68
385x64 5x67 d1_on_allo11.83311.32766NoNoNoNo65
395x62 6x33 d1_on_allo23.0322.1393YesYesNoNo78
405x69 6x33 d1_on_allo15.17850NoNoNoNo58
415x69 6x29 d1_on_allo11.68254.00892NoNoNoYes56
421x32 2x65 d1_on_allo12.39070NoNoNoNo55
431x32 2x67 d1_on_allo14.71610NoNoNoNo54
442x66 2x67 d1_on_allo17.21061.2758NoNoNoNo54
452x66 E1x49 d1_on_allo19.69722.54901NoNoNoNo54
466x36 6x40 d1_on_allo16.66092.14449NoNoNoNo98
473x28 3x32 d1_on_allo40.28220YesNoYesNo57
485x461 6x52 d1_on_allo14.66320NoNoYesYes67
491x39 7x39 Shared10.036215.9242NoYesYesYes75
501x46 2x57 Shared26.271721.8572YesYesYesYes77
511x46 1x50 Shared26.221521.6731YesYesYesYes79
521x50 2x50 Shared27.458222.2435YesYesYesYes99
538x50 8x54 Shared23.938420.9522YesYesYesYes97
548x50 I1x50 Shared15.799522.1943YesYesYesNo99
552x46 2x50 Shared30.600121.8494YesYesYesYes99
562x46 3x42 Shared71.3395100YesYesNoNo98
572x45 3x42 Shared64.39592.9209NoNoNoNo98
582x45 4x46 Shared62.968192.2389NoNoNoNo98
592x42 4x46 Shared61.250490.8982YesYesNoNo88
602x46 3x43 Shared44.449442.3711YesYesYesYes99
617x38 7x42 Shared10.073224.235NoYesYesYes67
626x48 6x51 Shared45.575157.6989YesYesYesYes87
636x44 6x48 Shared10074.191YesYesYesYes98
643x43 6x44 Shared77.356450.6872YesYesYesYes99
656x51 Lig Shared37.679432.7741YesYesYesYes70
663x36 Lig Shared33.78729.429NoNoYesYes70
673x36 6x48 Shared34.024829.5872NoNoYesYes78
686x52 Lig Shared65.385932.8856YesYesYesYes70
696x48 6x52 Shared45.26630.6607YesYesYesYes87
702x60 3x28 Shared10.731224.4425YesYesYesNo65
713x33 Lig Shared71.085859.317YesNoYesYes60
723x33 4x57 Shared22.099232.5615YesNoNoNo67
734x57 4x58 Shared14.877325.612NoNoYesYes75
743x28 E1x50 Shared41.323414.7495YesNoYesYes58
755x43 Lig Shared31.136527.5127NoNoYesYes70
765x39 5x43 Shared28.766225.2515YesYesNoNo77
775x54 6x44 Shared74.959743.0324NoYesYesYes89
783x47 5x54 Shared40.266417.9805NoNoNoYes88
793x47 5x57 Shared10.976923.1485NoNoNoNo87
803x33 5x39 Shared29.241925.6483YesNoYesYes67
814x60 5x39 Shared24.284532.4162NoNoYesYes67
825x58 6x37 Shared61.118326.3043YesYesNoNo98
835x62 6x37 Shared57.24725.363YesYesNoNo78
846x27 6x30 Shared15.323812.0553NoNoNoYes58
856x48 7x45 Shared23.288339.7314YesYesYesNo89
866x54 7x34 Shared12.580919.3497NoNoYesYes54
872x57 7x42 Shared22.648812.7528YesYesYesYes77
882x60 7x42 Shared13.29719.889YesYesYesYes67
897x45 7x49 Shared24.490738.1911YesNoYesYes99
906x51 7x34 Shared12.306122.1009YesYesYesYes74
912x46 7x49 Shared19.17434.0706YesYesYesYes99
923x32 Lig Shared35.634111.2048YesNoYesYes70
932x57 7x39 d1_on5.5413210.8313YesYesYesYes75
942x42 3x49 d1_on9.2857374.4062YesYesYesNo89
952x39 3x49 d1_on1.8788260.7172NoNoYesNo89
962x37 2x39 d1_on060.0819NoNoNoNo58
972x37 2x40 d1_on2.4865957.1569NoNoNoNo59
982x40 8x50 d1_on3.7232855.6867NoNoYesYes99
99I1x49 I1x50 d1_on9.806318.9788YesNoYesNo69
1001x60 I1x49 d1_on7.4016317.41YesYesYesNo66
1013x49 I2x53 d1_on5.5783112.2783YesNoYesYes97
1022x42 4x42 d1_on1.8946714.7236YesYesNoNo87
1032x41 4x42 d1_on013.1081NoNoNoNo47
1047x39 7x42 d1_on9.9648611.5885YesYesYesYes57
1056x51 7x38 d1_on4.1275811.936YesYesNoYes76
1062x46 7x53 d1_on016.282YesYesYesYes99
1077x38 Lig d1_on012.382NoYesYesYes60
1083x30 4x58 d1_on016.4065NoNoYesYes65
1093x30 4x61 d1_on2.4892314.0779NoNoNoNo65
1105x461 Lig d1_on5.2955611.5444NoNoYesYes60
1113x50 7x53 d1_on8.0543314.3476YesNoYesYes99
1125x54 5x58 d1_on020.7162NoYesYesYes89
1133x51 5x57 d1_on8.7915921.9064NoYesNoNo87
1144x59 4x60 d1_on9.7534618.5536NoNoNoNo66
1154x61 E2.H164 d1_on4.9758211.7441NoNoYesNo55
1166x58 7x34 d1_on4.9758210.6809NoNoYesYes34
1175x62 6x30 d1_on017.4359YesYesNoYes78
1186x54 E3.I308 d1_on6.6088816.2613NoNoYesYes54
1194x55 4x59 d1_on4.9705413.9223NoNoNoNo46
1203x50 5x58 d1_on0.17176214.3657YesNoYesYes99

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
2x563x32Shared7.138894.381121
2x567x42Shared5.584444.91121
2x577x39Shared4.524446.3951122
2x577x42Shared5.36.981121
2x603x28Shared6.7022211.61122
2x607x39Shared5.413335.81122
2x607x42Shared5.86.381121
3x327x42Shared11.165612.841111
3x32LigShared12.8315.091110
3x334x57Shared4.302224.6450012
3x335x39Shared4.968895.440012
3x33LigShared10.82677.780010
3x366x48Shared4.255566.1750012
3x36LigShared6.9188911.4850010
3x375x461Shared6.752227.9950021
E2.L190LigShared10.00228.880010
5x395x43Shared10.456712.080021
5x43LigShared7.824447.9850010
5x446x52Shared5.868896.6050121
5x446x55Shared4.138893.7250121
5x461LigShared4.457786.9950110
5x476x52Shared24.172226.260121
6x486x51Shared3.675564.511121
6x486x52Shared6.348897.521121
6x516x52Shared9.4077812.861111
6x516x55Shared5.772227.251111
6x517x34Shared5.002225.361112
6x517x38Shared4.366674.5851111
6x51LigShared13.462219.1651110
6x52LigShared8.1255611.891110
6x55LigShared7.293339.781110
7x347x38Shared3.785565.91121
7x387x42Shared7.902227.971111
7x397x42Shared11.351112.1851121
3x29Ligd1_on3.4755600010
E2x52Ligd1_on3.4088900010
7x38Ligd1_on3.4822201110
5x40E2.L190d1_on2.2788900021
2x537x42d1_on_allo03.680021
2x563x28d1_on_allo03.681122
3x283x32d1_on_allo08.3750121
3x29E2.H164d1_on_allo04.150012
5x4616x52d1_on_allo03.960111
6x526x55d1_on_allo03.6251111
7x42Ligd1_on_allo04.8051110
3x29E2x52d1_on_allo03.230011
3x293x33d1_on_allo03.070011

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
d1_on_allo 7LJC-D1-PubChem 86764103-Mevidalen-Gs/&β;1/&γ;2
7CKZ-D1-Dopamine-Mevidalen-Gs/&β;1/&γ;2
d1_on 7F0T-D1-Dopamine-Gs/&β;1/&γ;2
7CKY-D1-PW0464-Gs/&β;1/&γ;2
8IRR-D1-Rotigotine-Gs/&β;1/&γ;2
7JV5-D1-SKF81297-Gs/&β;1/&γ;2
7JVP-D1-SKF83959-Gs/&β;1/&γ;2
7X2D-D1-Tavapadon-Gs/&β;1/&γ;2
7JOZ-D1-VFP-Gs/&β;1/&γ;2
7CKX-D1-A77636-Gs/&β;1/&γ;2
7JVQ-D1-Apomorphine-Gs/&β;1/&γ;2
Network Difference
Value d1_on_allo d1_on
Imin 3.58 3.32
Number of Linked Nodes 270 295
Number of Specific Nodes 1 (0.37%) 26  (8.81%)
Number of Shared Nodes 269 (99.63%) 269  (91.19%)
Number of Links 314 327
Number of Specific Links 73 (23.25%) 86  (26.30%)
Number of Shared Links 241 (76.75%) 241  (73.70%)
Number of Hubs 47 42
Number of Specific Hubs 16 (34.04%) 11  (26.19%)
Number of Shared Hubs 31 (65.96%) 31  (73.81%)
Average % Shared Neighbours (Jaccard) 60.31
Average % Shared Neighbours (Otsuka) 68.36
Average % Shared Neighbours (Overlap Coefficient) 77.26
Average % Shared Cliques (k3-6) 61.25
Graphlets Similarity 0.697938
Paths Difference
Value d1_on_allo d1_on
Number Of Nodes in MetaPath 82 65
Specific Nodes in MetaPath 34 (41.46%) 17  (26.15%)
Shared Nodes in MetaPath 269 (99.63%) 269  (99.63%)
Number Of Links MetaPath 92 72
Specific Links in MetaPath 48 (52.17%) 28  (38.89%)
Shared Links in MetaPath 241 (76.75%) 241  (76.75%)
Number of Shortest Paths 107379 85955
Length Of Smallest Path 3 3
Average Path Length 13.0315 14.2146
Length of Longest Path 27 31
Minimum Path Strength 0.715 0.241667
Average Path Strength 6.76295 5.65018
Maximum Path Strength 25.91 16.79
Minimum Path Correlation 0.705 0.704444
Average Path Correlation 0.928672 0.933164
Maximum Path Correlation 0.99 0.991111
Minimum % Of Corr. Nodes 4.34783 3.7037
Average % Of Corr. Nodes 47.0803 48.7713
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 54.4647 47.2386
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 d1_on_ortoallo.zip<



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