Orange: nodes, hubs and links specific of d3_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of d3_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 d3_off Avg Int. Strength d3_on Avg Int. Strength d3_off Num Of Links d3_on Num Of Links ConSurf
11x53 d3_off3.666.87667419
2I1x50 d3_off6.83257.66556439
32x57 d3_off4.3427.39333528
42x62 d3_off5.8645.075526
52x66 d3_off2.644.61167425
63x34 d3_off4.935.47556437
73x35 d3_off5.1355.30556435
83x41 d3_off10.3186.22833527
93x44 d3_off3.093.71111437
103x49 d3_off7.56256.45333439
113x50 d3_off7.648575.89667729
125x39 d3_off7.80759.33889437
137x34 d3_off6.23754.45333424
147x52 d3_off2.923.07556438
151x35 Shared5.0282.2545
161x39 Shared5.1985.02167547
171x46 Shared4.243.605448
181x50 Shared6.6656.40133459
19E1x50 Shared6.541676.39833669
20I2x53 Shared7.848.31083648
215x36 Shared3.975.62333446
225x58 Shared5.63757.28583449
236x44 Shared8.1326.06833549
246x48 Shared8.616677.88111668
256x51 Shared9.527.43733458
266x55 Shared9.7756.99133458
277x42 Shared6.7748.18917548
287x53 Shared6.3965.54333549
298x50 Shared7.011438.98667769
308x54 Shared5.0386.65167549
31Lig Shared12.2910.04378100
321x60 d3_on6.243.58583248
332x40 d3_on5.336676.08917349
342x50 d3_on7.966677.43167349
353x51 d3_on4.393336.51667349
364x41 d3_on04.926057
375x47 d3_on10.383311.7353359
385x51 d3_on5.7357.72267256
396x30 d3_on6.685.21333368
406x52 d3_on10.618.916357
417x39 d3_on8.093333.93583348
427x54 d3_on3.247.41333248
   
Orange: nodes, hubs and links specific of d3_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of d3_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 d3_off Recurrence d3_on Recurrence d3_off Hub1? d3_on Hub1? d3_off Hub2? d3_on Hub2? ConSurf1 ConSurf2
11x39 2x60 d3_off13.25818.5419YesYesNoNo78
22x57 7x42 d3_off76.22223.04084YesNoYesYes88
31x42 2x57 d3_off74.55710NoNoYesNo78
41x42 1x46 d3_off73.73245.2683NoNoYesYes78
51x46 7x46 d3_off70.35470YesYesNoNo89
62x50 7x46 d3_off69.49060.848433NoYesNoNo99
71x50 7x50 d3_off11.84940.845931YesYesNoNo99
81x50 2x47 d3_off11.84940.845931YesYesNoNo99
91x53 8x54 d3_off21.24450YesNoYesYes99
101x52 8x54 d3_off13.93289.55801NoNoYesYes79
117x49 7x53 d3_off34.34480NoNoYesYes99
127x53 8x50 d3_off23.86460YesYesYesYes99
136x51 Lig d3_off56.72181.46912YesYesYesYes80
146x48 6x51 d3_off53.93210YesYesYesYes88
153x43 6x44 d3_off55.33280NoNoYesYes89
162x46 3x42 d3_off52.56280NoNoNoNo99
174x42 4x46 d3_off45.49970NoNoNoNo78
182x38 4x42 d3_off44.03586.49715NoNoNoNo67
192x38 3x49 d3_off36.84650NoNoYesNo69
203x49 3x50 d3_off16.88830YesNoYesNo99
213x40 6x44 d3_off53.24940NoNoYesYes99
223x40 3x41 d3_off50.31760NoNoYesNo97
233x41 3x44 d3_off46.18630YesNoYesNo77
243x44 5x54 d3_off41.85384.85284YesNoNoNo78
252x53 2x57 d3_off15.84660NoNoYesNo88
262x53 3x35 d3_off14.72991.60927NoNoYesNo85
27E2x52 Lig d3_off36.38480NoNoYesYes70
283x29 E2x52 d3_off35.38251.46661NoNoNoNo77
293x29 E2.N173 d3_off32.1434.81279NoNoNoNo75
303x22 E2.N173 d3_off29.75970NoNoNoNo35
312x62 E1x50 d3_off12.07040YesNoYesYes69
325x43 5x461 d3_off15.84660NoNoNoNo88
333x37 5x461 d3_off14.62343.21604NoNoNoNo88
343x37 4x56 d3_off12.18480NoNoNoNo87
353x50 6x30 d3_off10.85510YesNoNoYes98
366x30 I2x53 d3_off10.98920NoYesYesYes88
373x51 5x60 d3_off14.51293.52888NoYesNoNo96
386x27 6x30 d3_off19.00721.21884NoNoNoYes58
396x26 6x27 d3_off12.81220NoNoNoNo55
406x51 7x34 d3_off10.08960YesYesYesNo84
417x34 7x37 d3_off13.66060YesNoNoNo46
422x60 7x42 Shared14.445842.5718NoNoYesYes88
431x50 2x50 Shared27.230410.6042YesYesNoYes99
442x50 7x49 Shared42.520612.9768NoYesNoNo99
457x42 Lig Shared83.470846.1933YesYesYesYes80
466x44 6x48 Shared10054.5625YesYesYesYes98
472x46 3x43 Shared53.951845.46NoNoNoNo98
482x45 3x42 Shared48.348712.9317NoNoNoNo99
492x45 4x46 Shared46.928117.6995NoNoNoNo98
506x52 Lig Shared56.003665.5846NoYesYesYes70
516x48 6x52 Shared52.756256.8075YesYesNoYes87
523x47 5x54 Shared31.468383.5569NoNoNoNo98
533x47 5x58 Shared11.332564.9114NoNoYesYes99
543x22 3x25 Shared22.400713.9103NoNoNoNo39
553x25 E1x50 Shared19.82415.422NoNoYesYes99
563x34 3x35 Shared12.520215.89YesNoYesNo75
573x33 Lig Shared18.829738.1219NoNoYesYes80
583x33 4x57 Shared17.764328.2436NoNoNoNo88
593x34 4x57 Shared16.927823.6485YesNoNoNo78
605x43 Lig Shared16.951410.7143NoNoYesYes80
613x49 I2x53 Shared17.050147.242YesNoYesYes98
623x47 5x57 Shared19.271628.5789NoNoNoNo97
633x51 5x57 Shared17.693226.3715NoYesNoNo97
642x46 7x49 d3_on045.8179NoNoNoNo99
653x43 7x53 d3_on045.1121NoNoYesYes89
663x46 7x53 d3_on041.0251NoNoYesYes99
672x42 3x46 d3_on3.16064100NoNoNoNo79
682x42 3x49 d3_on082.7786NoNoYesNo79
692x39 I2x53 d3_on046.0757NoNoYesYes88
702x39 2x40 d3_on043.0323NoNoNoYes89
712x40 8x50 d3_on2.6042732.3306NoYesYesYes99
728x50 8x54 d3_on7.9114512.5538YesYesYesYes99
733x49 4x41 d3_on034.1651YesNoNoYes97
744x38 4x41 d3_on019.1035NoNoNoYes87
752x38 4x38 d3_on6.581712.9092NoNoNoNo68
762x42 4x46 d3_on019.2787NoNoNoNo78
772x52 3x35 d3_on2.9396712.7515NoNoYesNo65
782x60 3x28 d3_on036.2974NoNoNoNo87
793x28 E1x50 d3_on032.0202NoNoYesYes79
803x36 Lig d3_on040.3269NoNoYesYes70
813x36 6x48 d3_on1.6612140.6447NoNoYesYes78
823x42 4x49 d3_on3.3184711.3325NoNoNoNo97
835x54 6x44 d3_on086.8355NoNoYesYes89
845x47 6x52 d3_on8.6769534.8408NoYesNoYes97
855x47 6x44 d3_on032.5458NoYesYesYes99
863x46 3x50 d3_on060.4515NoNoYesNo99
873x51 5x61 d3_on020.878NoYesNoNo99
883x52 4x41 d3_on012.9167NoNoNoYes57
893x52 3x56 d3_on011.33NoNoNoNo56
906x55 Lig d3_on7.864115.8024YesYesYesYes80
915x40 6x55 d3_on1.0259219.519NoNoYesYes78
925x40 6x59 d3_on016.2779NoNoNoNo76
936x59 6x60 d3_on1.3652713.0318NoNoNoNo64
945x44 6x52 d3_on010.3339NoNoNoYes87
955x61 5x65 d3_on019.7342NoNoNoNo98
965x65 6x30 d3_on017.6644NoNoNoYes88
977x45 7x49 d3_on046.8015NoNoNoNo99
988x47 8x50 d3_on1.3692111.3325NoNoYesYes99
993x50 5x58 d3_on061.0997YesNoYesYes99
1006x48 7x45 d3_on2.7344848.3332YesYesNoNo89
1016x51 6x52 d3_on014.9264YesYesNoYes87

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
2x563x32Shared7.37.31021
2x567x42d3_off3.7901021
2x577x42Shared8.387.983330021
2x607x42Shared5.054.206670021
3x327x42Shared9.27.666671211
3x32LigShared21.0816.551210
3x334x57Shared6.464.310012
3x33LigShared8.4114.23330010
3x366x48Shared9.144.786670012
3x375x461Shared6.48.526670021
4x615x39Shared14.6110.960022
E2x52Ligd3_off16.1200010
5x406x55Shared4.1512.91330021
5x435x461d3_off4.8900011
5x43LigShared8.486.913330010
5x476x52Shared18.2218.93330221
6x486x51d3_off5.0101021
6x486x52Shared5.016.681021
6x516x55Shared12.444.146671211
6x517x34d3_off5.1601212
6x51LigShared15.4717.68331210
6x52LigShared8.66.543330210
6x557x34Shared9.85.806671212
6x55LigShared12.717.911210
7x347x37d3_off3.7501022
7x347x38d3_off6.2401021
7x42LigShared7.4512.91210
3x29E2x52Shared3.077.170021
3x294x61d3_on05.960022
3x334x61d3_on04.470012
3x36Ligd3_on08.373330010
5x395x43d3_on012.770021
5x446x52d3_on05.280021
5x446x55d3_on04.180021
5x461Ligd3_on04.680010
6x516x52d3_on07.143331211
6x517x37d3_on03.891212
6x517x38d3_on04.323331211
7x38Ligd3_on04.650210

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
d3_off 3PBL-D3-Eticlopride
d3_on 8IRT-D3-Rotigotine-Gi1/&β;1/&γ;2
7CMV-D3-PD128907-Gi1/&β;1/&γ;2
7CMU-D3-Pramipexole-Gi1/&β;1/&γ;2
Network Difference
Value d3_off d3_on
Imin 3.38 3.45
Number of Linked Nodes 245 262
Number of Specific Nodes 6 (2.45%) 23  (8.78%)
Number of Shared Nodes 239 (97.55%) 239  (91.22%)
Number of Links 263 280
Number of Specific Links 110 (41.83%) 127  (45.36%)
Number of Shared Links 153 (58.17%) 153  (54.64%)
Number of Hubs 31 28
Number of Specific Hubs 14 (45.16%) 11  (39.29%)
Number of Shared Hubs 17 (54.84%) 17  (60.71%)
Average % Shared Neighbours (Jaccard) 41.45
Average % Shared Neighbours (Otsuka) 51.38
Average % Shared Neighbours (Overlap Coefficient) 61.77
Average % Shared Cliques (k3-6) 78.70
Graphlets Similarity 0.485804
Paths Difference
Value d3_off d3_on
Number Of Nodes in MetaPath 62 58
Specific Nodes in MetaPath 26 (41.94%) 22  (37.93%)
Shared Nodes in MetaPath 239 (97.55%) 239  (97.55%)
Number Of Links MetaPath 63 60
Specific Links in MetaPath 41 (65.08%) 38  (63.33%)
Shared Links in MetaPath 153 (58.17%) 153  (58.17%)
Number of Shortest Paths 46612 72035
Length Of Smallest Path 3 3
Average Path Length 15.6462 15.7659
Length of Longest Path 32 31
Minimum Path Strength 1.485 0.431667
Average Path Strength 6.39869 6.39634
Maximum Path Strength 19.205 18.3983
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.919694 0.922216
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.7037 3.44828
Average % Of Corr. Nodes 43.7032 40.0821
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 40.2361 34.8925
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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