Orange: nodes, hubs and links specific of m3_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m3_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 m3_off Avg Int. Strength m3_on Avg Int. Strength m3_off Num Of Links m3_on Num Of Links ConSurf
11x39 m3_off00428
22x41 m3_off00428
32x551 m3_off00436
42x60 m3_off10050638
52x61 m3_off00428
63x29 m3_off33.33330418
73x32 m3_off10050539
83x33 m3_off66.666750439
93x49 m3_off10050539
103x53 m3_off00429
114x46 m3_off00439
124x50 m3_off00429
135x59 m3_off00415
146x47 m3_off00439
157x34 m3_off1000425
167x38 m3_off100100637
177x49 m3_off33.3333100439
188x50 m3_off1000439
198x51 m3_off00429
208x53 m3_off00439
211x57 Shared66.666750559
22I1x50 Shared100100449
232x40 Shared33.3333100459
242x42 Shared100100558
252x50 Shared33.333350449
262x57 Shared33.33330549
27E1x50 Shared10050749
283x28 Shared10050547
293x37 Shared00449
303x51 Shared100100459
31I2x53 Shared66.6667100449
32I2x57 Shared100100559
334x57 Shared100100579
34E2 Shared10010015156
35E2x52 Shared10050448
365x47 Shared100100669
376x44 Shared66.6667100649
386x48 Shared100100679
39E3 Shared100100766
407x39 Shared100100758
417x42 Shared100100779
427x45 Shared10050549
437x53 Shared66.666750449
44Lig Shared10010013120
452x53 m3_on00349
462x56 m3_on33.33330349
473x46 m3_on00149
484x61 m3_on00349
495x36 m3_on050347
505x48 m3_on050358
515x58 m3_on00359
525x62 m3_on00158
535x66 m3_on00247
546x40 m3_on00349
556x49 m3_on00348
566x52 m3_on0100349
576x59 m3_on050248
588x54 m3_on050349
   
Orange: nodes, hubs and links specific of m3_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m3_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 m3_off Recurrence m3_on Recurrence m3_off Hub1? m3_on Hub1? m3_off Hub2? m3_on Hub2? ConSurf1 ConSurf2
11x34 1x38 m3_off28.87840NoNoNoNo55
21x38 1x42 m3_off34.60621.17444NoNoNoNo57
31x42 7x39 m3_off39.73062.33681NoNoYesYes78
41x39 7x39 m3_off14.81113.3584YesNoYesYes88
52x61 7x39 m3_off42.87960YesNoYesYes88
62x60 7x39 m3_off39.59830YesNoYesYes88
72x60 3x28 m3_off13.44744.08237YesNoYesYes87
82x59 3x28 m3_off20.17521.48413NoNoYesYes87
92x551 2x59 m3_off18.33210YesNoNoNo68
102x55 2x551 m3_off10.57112.40116NoNoYesNo76
117x39 7x42 m3_off67.98913.54342YesYesYesYes89
121x50 2x50 m3_off18.60487.55741NoNoYesYes99
131x50 7x50 m3_off12.63746.06122NoNoNoNo99
147x49 7x53 m3_off71.38610YesNoYesYes99
152x43 7x53 m3_off76.54350NoNoYesYes99
162x40 2x43 m3_off76.00630YesYesNoNo99
172x40 8x50 m3_off68.4852.21212YesYesYesNo99
188x50 8x54 m3_off29.32470YesNoNoYes99
198x50 I1x50 m3_off15.98480.193058YesNoYesYes99
203x37 Lig m3_off65.7415.57053YesYesYesYes90
213x37 4x53 m3_off75.08894.5811YesYesNoNo99
223x38 4x53 m3_off73.74163.44689NoNoNoNo99
233x38 4x50 m3_off72.57622.30463NoNoYesNo99
242x45 4x50 m3_off70.49340NoNoYesNo99
252x45 4x46 m3_off1003.63995NoNoYesNo99
262x41 4x46 m3_off39.45780YesNoYesNo89
277x38 7x42 m3_off45.81372.24028YesNoYesYes79
283x32 7x42 m3_off34.49050.19708YesNoYesYes99
293x32 Lig m3_off58.93052.28854YesNoYesYes90
302x50 3x39 m3_off22.01011.52435YesYesNoNo99
312x46 3x39 m3_off36.79640NoNoNoNo99
322x46 3x42 m3_off35.32520NoNoNoNo99
332x45 3x42 m3_off34.73842.43333NoNoNoNo99
341x57 2x41 m3_off28.72962.41322YesYesYesNo98
358x47 8x50 m3_off26.59721.2951NoNoYesNo99
362x42 4x46 m3_off89.40416.02904YesYesYesNo89
373x28 E1x50 m3_off14.37318.60717YesYesYesYes79
382x61 2x62 m3_off23.13411.17444YesNoNoNo86
392x62 2x66 m3_off17.37330NoNoNoNo67
403x28 3x29 m3_off13.24080YesYesYesNo78
413x29 E2x52 m3_off10.17440YesNoYesYes88
42E2 E2x52 m3_off17.42291.28705YesYesYesYes68
433x33 7x38 m3_off19.19170YesNoYesNo97
443x33 E2x52 m3_off26.2178.87262YesNoYesYes98
453x33 4x57 m3_off14.78630.185014YesNoYesYes99
463x30 4x62 m3_off14.95160NoNoNoNo88
476x44 6x48 m3_off22.7870.579174YesYesYesYes99
483x40 6x44 m3_off11.0340.639504NoNoYesYes99
493x37 3x41 m3_off14.08381.15433YesYesNoNo98
505x54 6x44 m3_off26.63030NoNoYesYes99
513x48 3x52 m3_off12.39770NoNoNoNo87
523x51 3x55 m3_off15.65429.35527YesYesNoNo98
533x51 5x61 m3_off12.55481.38358YesYesNoNo99
542x41 4x39 m3_off21.65471.12617YesNoNoNo87
554x39 4x40 m3_off18.50570NoNoNoNo76
564x38 4x40 m3_off10.90171.2227NoNoNoNo96
573x34 4x57 m3_off19.48090NoNoYesYes89
583x34 4x54 m3_off16.27412.15581NoNoNoNo85
595x39 E2 m3_off15.1171.06584NoNoYesYes86
605x36 5x39 m3_off11.94310.00804408NoYesNoNo78
616x52 Lig m3_off23.16726.80932NoYesYesYes90
625x48 6x52 m3_off12.48862.53791NoYesNoYes89
635x48 6x56 m3_off24.24999.19841NoYesNoNo87
645x41 6x56 m3_off20.4487.94755NoNoNoNo77
655x47 5x51 m3_off10.2242.34485YesYesNoNo98
665x47 6x49 m3_off13.33999.3432YesYesNoYes98
675x54 6x41 m3_off21.81170NoNoNoNo98
685x58 6x41 m3_off16.45593.94562NoYesNoNo98
695x58 5x59 m3_off11.0340NoYesYesNo95
706x32 8x47 m3_off22.79530NoNoNoNo99
716x29 6x32 m3_off18.7040NoNoNoNo79
726x29 6x30 m3_off14.12510NoNoNoNo79
736x27 6x30 m3_off11.81090NoNoNoNo69
746x40 7x49 m3_off11.04220NoYesYesNo99
756x40 7x52 m3_off13.87723.6319NoYesNoNo99
766x51 7x34 m3_off26.060NoNoYesNo95
777x34 E3 m3_off18.61310YesNoYesYes56
787x30 E3 m3_off11.33153.89334NoNoYesYes76
797x54 8x54 m3_off13.87720NoNoNoYes99
807x54 8x51 m3_off11.60430NoNoYesNo99
813x55 3x56 m3_off12.55485.49813NoNoNoNo88
821x28 1x31 m3_off17.37330.0160882NoNoNoNo47
831x31 1x34 m3_off23.13410NoNoNoNo75
841x28 1x30 m3_off11.5960NoNoNoNo44
852x61 2x65 m3_off15.04260YesNoNoNo88
863x28 3x32 m3_off31.06040YesYesYesNo79
873x39 7x45 m3_off28.55610NoNoYesYes99
883x33 Lig m3_off14.49719.68105YesNoYesYes90
896x51 Lig m3_off19.47272.35289NoNoYesYes90
905x47 6x44 m3_off14.49719.75747YesYesYesYes99
913x37 4x57 m3_off20.64631.25085YesYesYesYes99
921x46 2x57 Shared17.811415.0786NoNoYesYes99
931x46 7x47 Shared13.381310.7429NoNoNoNo98
942x53 7x42 Shared36.606313.2204NoYesYesYes99
952x53 7x46 Shared38.118919.2254NoYesNoNo99
962x50 7x46 Shared37.37519.2374YesYesNoNo99
972x50 7x49 Shared27.43222.2218YesYesYesNo99
981x52 8x54 Shared13.877211.495NoNoNoYes89
991x57 2x40 Shared36.531911.0888YesYesYesYes99
1002x60 7x38 Shared35.845916.4059YesNoYesNo87
1017x38 Lig Shared57.467615.1229YesNoYesYes70
1022x42 3x49 Shared76.824565.9333YesYesYesNo89
1034x57 E2 Shared51.318325.2343YesYesYesYes96
1044x57 Lig Shared43.458137.5659YesYesYesYes90
1053x30 4x61 Shared18.571814.8695NoNoNoYes89
1066x48 Lig Shared84.056557.7927YesYesYesYes90
1073x49 I2x53 Shared56.211319.5592YesNoYesYes99
1083x52 I2x53 Shared54.442524.627NoNoYesYes79
1093x51 3x52 Shared39.697523.3841YesYesNoNo97
1105x47 6x48 Shared21.712513.313YesYesYesYes99
1116x48 7x45 Shared58.781763.4477YesYesYesYes99
1122x57 7x42 Shared32.192717.4195YesYesYesYes99
1134x61 E2x52 Shared17.274217.3833NoYesYesYes98
1147x45 7x49 Shared68.369384.2336YesYesYesNo99
1156x44 7x45 Shared30.126510.7871YesYesYesYes99
1165x47 5x48 Shared15.778211.7725YesYesNoYes98
1176x47 7x43 m3_on010.3648YesNoNoNo98
1186x47 7x45 m3_on7.0005810.2321YesNoYesYes99
1192x46 7x49 m3_on0100NoNoYesNo99
1202x46 3x43 m3_on099.7587NoNoNoNo99
1213x43 7x53 m3_on099.4852NoNoYesYes99
1223x46 7x53 m3_on066.8785NoYesYesYes99
1232x42 3x46 m3_on2.6365871.4435YesYesNoYes89
1243x49 I2x57 m3_on5.2979645.7145YesNoYesYes99
125I2x54 I2x57 m3_on042.9232NoNoYesYes89
1262x39 I2x54 m3_on045.3284NoNoNoNo98
1272x39 2x40 m3_on044.3631NoNoYesYes99
1282x40 I1x50 m3_on031.0542YesYesYesYes99
1291x60 I1x50 m3_on4.8020527.921NoNoYesYes89
1301x60 8x53 m3_on0.041325725.8416NoNoYesNo89
1311x56 8x53 m3_on2.4299518.8191NoNoYesNo99
1321x56 8x54 m3_on017.6125NoNoNoYes99
1337x42 Lig m3_on018.9157YesYesYesYes90
1342x60 2x64 m3_on2.6283217.4235YesNoNoNo88
1352x64 7x35 m3_on0.14877316.2169NoNoNoNo86
1363x50 7x53 m3_on014.4753NoNoYesYes99
1373x50 5x58 m3_on019.7844NoNoNoYes99
1386x40 7x53 m3_on4.9673523.8145NoYesYesYes99
1395x58 6x40 m3_on014.4592NoYesNoYes99
1405x58 6x37 m3_on025.1257NoYesNoNo99
1415x62 6x37 m3_on023.2112NoYesNoNo89
1425x62 5x66 m3_on013.5583NoYesNoYes87
1437x31 7x35 m3_on5.3392815.0424NoNoNoNo26
1447x31 7x34 m3_on013.8238NoNoYesNo25
1456x58 7x34 m3_on2.347312.597NoNoYesNo75
1466x58 E3 m3_on011.4709NoNoYesYes76
1471x52 8x58 m3_on2.347310.2562NoNoNoNo88
1483x30 4x58 m3_on012.8343NoNoNoNo87

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
2x532x56Shared4.126675.421122
2x537x42Shared4.836676.0451121
2x563x32Shared11.299.571121
2x567x42Shared6.783333.8151121
2x577x39Shared6.203335.8151122
2x577x42Shared4.395.3851121
2x603x28Shared7.016674.511022
2x607x38Shared17.536711.351021
2x607x39m3_off4.3433301022
2x607x42m3_off6.5333301021
3x283x32m3_off4.8401021
3x327x38m3_off6.5166701111
3x327x42Shared11.106712.0651111
3x32LigShared3.793339.6651110
3x334x57Shared12.2216.0051111
3x33E2x52Shared9.675.051112
3x337x38m3_off3.6401111
3x33LigShared17.81675.9651110
3x36LigShared8.016677.220010
3x374x53Shared8.948.941112
3x374x57Shared7.917.3451111
3x37LigShared3.813334.6451110
3x406x44Shared3.493339.180122
4x57E2Shared5.576674.0051112
4x57LigShared4.1133315.051110
E2E2Shared59.883334.8951122
E2E2x52Shared16.023314.871122
5x461LigShared5.033.940010
5x475x48Shared7.566678.771122
5x476x44Shared4.643334.8251122
5x476x48Shared6.013336.0151121
5x476x52Shared27.386717.521121
5x486x52Shared4.654.071121
6x446x48Shared17.70336.0151121
6x447x45Shared4.834.831122
6x476x48Shared4.855.4551121
6x477x45Shared8.286675.851122
6x487x41Shared13.063311.7551111
6x487x45Shared6.026676.781112
6x48LigShared13.6610.851110
6x517x34m3_off8.0366701112
6x517x38m3_off8.6066701111
6x51LigShared10.793312.671110
6x52LigShared9.415.171110
7x387x42Shared8.936677.4451111
7x38LigShared16.593313.6951110
7x397x42Shared7.716674.821121
7x41LigShared6.446677.7151110
5x43Ligm3_off3.1100010
3x373x41Shared2.83.5051112
5x44Ligm3_off2.3566700010
3x344x57m3_off1.6366700021
2x563x28m3_on03.7051122
3x406x48m3_on04.90121
4x564x57m3_on03.9850021
4x57E2x52m3_on04.111112
4x575x43m3_on07.8851111
6x516x52m3_on05.8151111
6x516x55m3_on05.051112
7x42Ligm3_on05.611110
5x445x48m3_on020012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
m3_off 4U15-M3-Tiotropium
4U16-M3-N-Methyl Scopolamine
5ZHP-M3-PubChem 134828589
m3_on 8E9Z-M3-Iperoxo-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
8E9W-M3-2-Deoxycytidine-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
Network Difference
Value m3_off m3_on
Imin 3.31333 3.695
Number of Linked Nodes 259 260
Number of Specific Nodes 5 (1.93%) 6  (2.31%)
Number of Shared Nodes 254 (98.07%) 254  (97.69%)
Number of Links 304 292
Number of Specific Links 114 (37.50%) 102  (34.93%)
Number of Shared Links 190 (62.50%) 190  (65.07%)
Number of Hubs 44 38
Number of Specific Hubs 20 (45.45%) 14  (36.84%)
Number of Shared Hubs 24 (54.55%) 24  (63.16%)
Average % Shared Neighbours (Jaccard) 48.33
Average % Shared Neighbours (Otsuka) 57.97
Average % Shared Neighbours (Overlap Coefficient) 68.41
Average % Shared Cliques (k3-6) 56.82
Graphlets Similarity 0.629542
Paths Difference
Value m3_off m3_on
Number Of Nodes in MetaPath 102 57
Specific Nodes in MetaPath 65 (63.73%) 20  (35.09%)
Shared Nodes in MetaPath 254 (98.07%) 254  (98.07%)
Number Of Links MetaPath 116 57
Specific Links in MetaPath 91 (78.45%) 32  (56.14%)
Shared Links in MetaPath 190 (62.50%) 190  (62.50%)
Number of Shortest Paths 50766 44751
Length Of Smallest Path 3 3
Average Path Length 11.2015 14.0829
Length of Longest Path 26 38
Minimum Path Strength 0.506667 0.63
Average Path Strength 6.39774 6.87966
Maximum Path Strength 18.9517 15.01
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.912809 0.919936
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 5.26316 3.84615
Average % Of Corr. Nodes 48.8737 47.2586
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 53.7025 46.3511
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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