Orange: nodes, hubs and links specific of m1_on network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m1_off 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 m1_on Avg Int. Strength m1_off Avg Int. Strength m1_on Num Of Links m1_off Num Of Links ConSurf
11x48 m1_on2.32752.95415
22x38 m1_on4.25754.79333437
32x63 m1_on4.90257.24427
43x43 m1_on4.9666.57333538
54x64 m1_on9.498.02667437
64x68 m1_on4.5053.95434
75x48 m1_on5.1365.3527
85x58 m1_on6.632.70333639
95x62 m1_on6.58250407
106x40 m1_on4.11255.995428
116x49 m1_on3.8053.19333437
126x51 m1_on6.9449.63667538
137x39 m1_on8.3988.49518
147x53 m1_on5.3510.8639
15CT.W437 m1_on6.148.68533
161x39 Shared4.69255.7175446
171x50 Shared5.5056.8449
181x60 Shared8.7557.53448
192x50 Shared6.27756.9275449
202x60 Shared7.3849.5175547
21E1x50 Shared6.466676.26571679
223x28 Shared6.12257.652457
233x33 Shared9.2583310.688658
243x37 Shared6.271675.698658
25I2x53 Shared10.667.006459
26I2x57 Shared9.6068.822558
274x57 Shared8.1687.826558
284x61 Shared3.6654.0725447
29E2.R171 Shared8.33259.2625447
30E2x52 Shared6.3256.158457
31E2.F182 Shared5.2846.6275546
325x47 Shared9.9510.8025649
336x44 Shared5.6427.656559
346x48 Shared8.718.51625888
357x34 Shared3.59256.582457
367x38 Shared7.1510.13567
377x42 Shared9.353337.36429678
388x50 Shared8.317.965449
39Lig Shared9.010838.6721412140
40NT.K20 m1_off04.525040
412x42 m1_off8.503336.445348
422x53 m1_off5.726675.42358
432x57 m1_off10.0556.25248
443x32 m1_off9.737.7625349
453x50 m1_off6.813335.585349
463x51 m1_off12.896.16368
473x52 m1_off11.357.3275147
483x56 m1_off4.0155.88247
494x50 m1_off5.716675.5925349
50E2.L183 m1_off7.146.56147
515x41 m1_off4.9255.9725247
525x68 m1_off4.865.7158
536x47 m1_off4.706674.215348
54E3.V395 m1_off3.2855.975246
558x54 m1_off4.933336.6925349
   
Orange: nodes, hubs and links specific of m1_on network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of m1_off 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 m1_on Recurrence m1_off Recurrence m1_on Hub1? m1_off Hub1? m1_on Hub2? m1_off Hub2? ConSurf1 ConSurf2
11x39 7x39 m1_on12.52211.74361YesYesYesNo68
27x39 7x42 m1_on12.44340YesNoYesYes88
33x36 Lig m1_on17.30470.734785NoNoYesYes80
42x53 3x36 m1_on19.32690NoYesNoNo88
53x37 4x53 m1_on1009.19987YesYesNoNo88
63x38 4x53 m1_on93.44625.79396NoNoNoNo88
73x38 4x50 m1_on92.31944.64661NoNoNoYes89
83x42 4x50 m1_on90.03641.16542NoNoNoYes89
92x45 3x42 m1_on88.88010NoNoNoNo98
102x45 4x46 m1_on87.7140NoNoNoNo99
112x42 4x46 m1_on86.53816.30289NoYesNoNo89
123x49 I2x57 m1_on71.36390.261993NoNoYesYes98
132x38 2x41 m1_on31.68670YesNoNoNo77
141x57 2x44 m1_on26.91899.44379NoNoNoNo87
151x54 2x44 m1_on25.316.30289NoNoNoNo77
161x54 2x47 m1_on22.06260NoNoNoNo79
171x52 8x54 m1_on12.08423.8004NoNoNoYes89
182x37 2x38 m1_on31.480NoNoYesNo87
192x37 2x40 m1_on29.90061.27383NoNoNoNo89
202x40 8x50 m1_on26.71232.35794NoNoYesYes99
213x40 Lig m1_on45.92110NoNoYesYes90
223x40 6x44 m1_on45.15350NoNoYesYes99
233x43 7x53 m1_on43.43630YesNoYesNo89
242x63 2x64 m1_on10.11120YesNoNoNo77
253x25 E1x50 m1_on19.87311.7406NoNoYesYes99
263x25 3x26 m1_on17.69830NoNoNoNo97
273x26 E2.R171 m1_on10.13091.73156NoNoYesYes77
285x54 6x44 m1_on49.94591.67736NoNoYesYes99
293x47 5x54 m1_on48.77981.04496NoNoNoNo99
303x47 5x57 m1_on24.89180NoNoNoNo98
315x58 7x53 m1_on25.1230YesNoYesNo99
323x47 5x58 m1_on24.27670NoNoYesNo99
335x47 Lig m1_on14.7560YesYesYesYes90
345x47 5x48 m1_on11.99570YesYesYesNo97
355x58 6x37 m1_on35.73610YesNoNoNo99
366x40 7x53 m1_on13.66360YesNoYesNo89
375x62 6x37 m1_on26.85990YesNoNoNo79
385x62 5x66 m1_on13.47180YesNoNoNo77
397x34 7x38 m1_on10.25880YesYesYesYes77
403x37 4x57 m1_on17.9649.47089YesYesYesYes88
417x42 Lig Shared43.288781.6063YesYesYesYes80
422x53 7x46 Shared12.71452.0914NoYesNoNo89
432x50 7x46 Shared11.872751.0856YesYesNoNo99
441x50 2x50 Shared11.257643.8763YesYesYesYes99
453x37 Lig Shared89.219648.6765YesYesYesYes80
462x42 3x49 Shared82.951215.6895NoYesNoNo89
472x38 I2x57 Shared69.090736.9049YesNoYesYes78
481x57 2x41 Shared30.107318.5834NoNoNoNo87
491x53 2x47 Shared20.424138.5461NoNoNoNo99
501x53 8x54 Shared17.117732.0264NoNoNoYes99
518x50 I1x50 Shared20.217517.2403YesYesNoNo99
521x60 I1x50 Shared18.569216.1261YesYesNoNo89
532x38 4x39 Shared10.386731.0236YesNoNoNo75
543x43 6x44 Shared49.409615.9244YesNoYesYes89
556x48 Lig Shared48.607668.0941YesYesYesYes80
566x44 6x48 Shared51.859915.4245YesYesYesYes98
572x60 3x28 Shared40.946732.195YesYesYesYes77
582x60 2x64 Shared19.307232.2733YesYesNoNo77
592x60 7x38 Shared35.091528.9126YesYesYesYes77
603x28 E1x50 Shared31.652226.9582YesYesYesYes79
613x33 Lig Shared26.653215.313YesYesYesYes80
624x57 4x61 Shared14.204912.5124YesYesYesYes87
633x33 E2x52 Shared33.748314.256YesYesYesYes87
643x48 5x57 Shared11.459440.6902NoNoNoNo78
653x49 I2x53 Shared10.367118.5503NoNoYesYes99
663x51 5x57 Shared11.459452.0975NoYesNoNo88
673x30 4x61 Shared11.139520.571NoNoYesYes87
68E2.F182 E2x52 Shared37.635315.0059YesYesYesYes67
694x64 E2.F182 Shared22.480816.62YesNoYesYes76
707x38 Lig Shared35.873825.2055YesYesYesYes70
712x60 7x42 Shared27.863633.249YesYesYesYes78
726x51 Lig m1_off2.7455216.6772YesNoYesYes80
736x52 Lig m1_off012.6901NoNoYesYes80
742x64 NT.K20 m1_off028.9999NoNoNoYes70
751x32 NT.K20 m1_off022.5193NoNoNoYes40
761x32 2x65 m1_off013.9639NoNoNoNo46
772x61 2x65 m1_off1.5990910.5068NoNoNoNo86
782x57 7x42 m1_off1.4465716.4995NoYesYesYes88
792x53 7x42 m1_off059.0538NoYesYesYes88
801x50 2x47 m1_off039.6242YesYesNoNo99
811x56 8x50 m1_off1.7516225.4434NoNoYesYes99
821x56 8x54 m1_off026.5938NoNoNoYes99
832x41 4x39 m1_off021.7033NoNoNoNo75
84I2x53 I2x57 m1_off1.6335445.5777YesYesYesYes98
853x52 I2x53 m1_off1.7516278.9201NoYesYesYes79
863x48 3x52 m1_off039.308NoNoNoYes77
875x53 5x57 m1_off093.8597NoNoNoNo78
883x44 5x53 m1_off2.3076295.0914NoNoNoNo77
893x44 5x50 m1_off4.6103196.3231NoNoNoNo79
903x40 5x50 m1_off0100NoNoNoNo99
913x37 3x40 m1_off053.8411YesYesNoNo89
923x51 3x52 m1_off042.3736NoYesNoYes87
933x40 6x48 m1_off0.12792848.8632NoNoYesYes98
942x63 E1x50 m1_off0.46742818.8755YesNoYesYes79
952x63 E2.Q177 m1_off5.1121817.1891YesNoNoNo74
96E2.V173 E2x51 m1_off2.5536310.3834NoNoNoNo44
97E2.L174 E2x51 m1_off012.0938NoNoNoNo34
98E2.L174 E2.Q177 m1_off2.5585513.7983NoNoNoNo34
993x33 4x61 m1_off5.9732310.6785YesYesYesYes87
1003x30 4x58 m1_off012.7895NoNoNoNo86
1013x43 6x41 m1_off015.5509YesNoNoNo87
1026x37 6x41 m1_off014.8402NoNoNoNo97
1033x50 6x37 m1_off014.0964NoYesNoNo99
1043x50 5x61 m1_off010.7116NoYesNoNo99
1055x43 Lig m1_off010.022NoNoYesYes80
1066x51 7x34 m1_off022.3899YesNoYesYes87
1076x58 7x34 m1_off1.4908511.3079NoNoYesYes57
1085x37 6x58 m1_off010.0521NoNoNoNo55
1095x48 6x52 m1_off2.1649312.8617YesNoNoNo78
1105x45 5x48 m1_off6.1454411.2747NoNoYesNo67
1116x47 6x48 m1_off2.7799611.8891NoYesYesYes88

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
3x32LigShared4.339.681110
3x33LigShared20.9613.381110
3x36LigShared9.5911.781110
3x37LigShared5.110.441110
4x57LigShared87.311110
5x43Ligm1_off4.7100010
5x461Ligm1_off4.0201010
6x48LigShared10.9116.251110
6x51LigShared14.228.361110
6x52Ligm1_off10.5200110
7x38LigShared16.4710.031110
7x41LigShared6.084.531110
7x42LigShared4.495.851110
2x532x56m1_off7.7401022
2x537x42m1_off4.8401021
2x563x32Shared11.7810.311121
2x567x42Shared3.823.821121
2x577x42Shared13.1711.970121
2x607x38Shared19.8611.911121
2x607x42Shared7.946.951121
3x327x38m1_off4.601111
3x327x42Shared10.349.21111
3x334x57Shared15.4316.41111
3x334x61Shared3.633.631112
3x33E2x52Shared8.467.251112
3x337x38Shared4.966.951111
3x366x48Shared6.183.711111
3x373x40m1_off4.301111
3x374x53Shared5.785.781112
3x374x57Shared8.768.761111
3x375x461Shared4.554.551111
3x405x50m1_off3.5300112
3x406x48Shared3.684.90111
4x574x61Shared3.523.521112
4x61E2x52Shared5.895.891122
E2.L183E2x52Shared7.147.141022
5x43E2.L183m1_off4.4200012
5x475x51Shared7.877.871112
5x476x44m1_off5.3601112
5x476x48Shared7.026.011111
5x476x52Shared22.9625.371111
5x486x52Shared5.813.490121
6x446x48Shared17.048.021121
6x447x45m1_off3.6201122
6x476x48Shared3.643.641121
6x477x45Shared5.857.311122
6x487x41Shared11.7516.981111
6x487x45Shared7.9110.171112
6x517x34m1_off6.7501112
6x517x38Shared7.943.971111
7x387x42m1_off6.9501111
4x564x57m1_off3.4200021
3x414x53m1_off3.0700022
5x44Ligm1_off2.0100010
2x533x36m1_on04.641021
2x577x39m1_on08.140122
2x607x39m1_on04.821122
3x336x51m1_on07.941111
3x373x41m1_on05.441112
3x406x44m1_on03.930112
3x40Ligm1_on05.310110
4x575x43m1_on04.851111
5x475x48m1_on011.351112
5x476x49m1_on03.891112
5x47Ligm1_on05.211110
5x516x44m1_on03.930022
6x516x52m1_on08.141111
6x516x55m1_on06.311112
7x397x42m1_on018.330121
7x347x38m1_on02.891021
3x374x56m1_on02.661112
5x445x48m1_on01.330012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
m1_off 5CXV-M1-Tiotropium
m1_on 6OIJ-M1-Iperoxo-chim(NtGi1L-G11)/β1/γ2
Network Difference
Value m1_on m1_off
Imin 3.42 3.5
Number of Linked Nodes 261 261
Number of Specific Nodes 23 (8.81%) 23  (8.81%)
Number of Shared Nodes 238 (91.19%) 238  (91.19%)
Number of Links 288 299
Number of Specific Links 118 (40.97%) 129  (43.14%)
Number of Shared Links 170 (59.03%) 170  (56.86%)
Number of Hubs 39 40
Number of Specific Hubs 15 (38.46%) 16  (40.00%)
Number of Shared Hubs 24 (61.54%) 24  (60.00%)
Average % Shared Neighbours (Jaccard) 39.62
Average % Shared Neighbours (Otsuka) 47.85
Average % Shared Neighbours (Overlap Coefficient) 55.86
Average % Shared Cliques (k3-6) 57.65
Graphlets Similarity 0.715653
Paths Difference
Value m1_on m1_off
Number Of Nodes in MetaPath 69 69
Specific Nodes in MetaPath 25 (36.23%) 25  (36.23%)
Shared Nodes in MetaPath 238 (91.19%) 238  (91.19%)
Number Of Links MetaPath 71 71
Specific Links in MetaPath 40 (56.34%) 40  (56.34%)
Shared Links in MetaPath 170 (59.03%) 170  (59.03%)
Number of Shortest Paths 48574 70747
Length Of Smallest Path 3 3
Average Path Length 13.8655 14.5152
Length of Longest Path 32 34
Minimum Path Strength 1.335 1.32
Average Path Strength 6.61939 6.3387
Maximum Path Strength 16.755 18.1467
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.944998 0.923326
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.84615 4.16667
Average % Of Corr. Nodes 62.0855 45.2905
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 46.681 44.888
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 m1_off_on.zip<



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