Orange: nodes, hubs and links specific of m1_off_allo 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_off_allo Avg Int. Strength m1_off Avg Int. Strength m1_off_allo Num Of Links m1_off Num Of Links ConSurf
11x31 m1_off_allo13.515.035426
21x52 m1_off_allo6.4457.75667438
32x51 m1_off_allo3.20752.75418
42x63 m1_off_allo7.57.24427
53x39 m1_off_allo7.461673619
63x49 m1_off_allo9.34259.44439
74x64 m1_off_allo8.7588.02667537
8E2.Q177 m1_off_allo7.37754.13434
9E2x50 m1_off_allo6.9556.34667439
105x48 m1_off_allo5.095.3427
117x39 m1_off_allo7.8388.49518
127x45 m1_off_allo6.735.79333639
137x49 m1_off_allo6.34257.58429
148x51 m1_off_allo4.041.24419
158x57 m1_off_allo3.2324.33528
16Allo1 m1_off_allo71.281901600
171x50 Shared6.32256.8449
182x42 Shared5.24756.445448
192x50 Shared9.89256.9275449
202x53 Shared6.355.42458
212x60 Shared8.359.5175547
22E1x50 Shared6.951436.26571779
233x33 Shared9.2110.688458
243x37 Shared6.595.698558
253x52 Shared6.55257.3275447
26I2x53 Shared8.06757.006459
27I2x57 Shared7.398337.968658
284x50 Shared4.7355.5925649
29E2.R171 Shared10.7359.2625447
30E2x52 Shared7.4826.158557
31E2.F182 Shared8.90256.6275446
32E2.L183 Shared6.276.56447
335x41 Shared6.45755.9725447
345x47 Shared9.4516710.8025649
356x44 Shared9.6757.656459
366x48 Shared9.9058.51625888
377x34 Shared11.057.41447
387x38 Shared9.94810.13567
397x42 Shared6.5157.36429678
408x50 Shared8.3447.965549
418x54 Shared6.6166.6925549
42Lig Shared9.9868.6721410140
43NT.K20 m1_off04.525045
441x39 m1_off6.823335.7175346
451x60 m1_off9.233337.53348
462x57 m1_off5.856.25248
473x28 m1_off9.917.652257
483x32 m1_off117.7625349
493x50 m1_off7.686675.585349
503x51 m1_off7.426.16368
513x56 m1_off3.8655.88247
524x57 m1_off8.286677.826358
534x61 m1_off5.4954.0725247
545x68 m1_off2.675.7358
556x47 m1_off6.024.215348
56E3.V395 m1_off5.966675.975346
   
Orange: nodes, hubs and links specific of m1_off_allo 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_off_allo Recurrence m1_off Recurrence m1_off_allo Hub1? m1_off Hub1? m1_off_allo Hub2? m1_off Hub2? ConSurf1 ConSurf2
11x39 2x57 m1_off_allo15.39140NoYesNoYes68
21x50 7x50 m1_off_allo48.16442.39513YesYesNoNo99
31x49 7x50 m1_off_allo46.78881.19895NoNoNoNo99
41x49 1x52 m1_off_allo42.61160NoNoYesNo98
51x52 8x54 m1_off_allo26.65163.57746YesNoYesYes89
68x50 8x54 m1_off_allo14.37110YesYesYesYes99
76x47 7x40 m1_off_allo17.51558.6363NoYesNoNo88
87x45 7x49 m1_off_allo49.99580YesNoYesNo99
97x49 7x53 m1_off_allo1000YesNoNoNo99
102x46 7x53 m1_off_allo97.51210NoNoNoNo99
112x46 3x42 m1_off_allo96.20760NoNoNoNo98
122x45 3x42 m1_off_allo85.36960NoNoNoNo98
132x45 4x46 m1_off_allo85.33620NoNoNoNo99
142x42 4x46 m1_off_allo83.93965.81753YesYesNoNo89
153x49 I2x57 m1_off_allo50.65230.274124YesNoYesYes98
161x52 8x57 m1_off_allo14.40880YesNoYesNo88
172x39 I2x57 m1_off_allo28.12762.61664NoNoYesYes88
182x39 3x50 m1_off_allo24.71150NoNoNoYes89
193x39 6x48 m1_off_allo57.12490YesNoYesYes98
202x60 Allo1 m1_off_allo13.0540YesYesYesNo70
212x63 Allo1 m1_off_allo25.58960YesNoYesNo70
22Allo1 E2x51 m1_off_allo22.6710YesNoNoNo04
23E2.V173 E2x51 m1_off_allo20.87729.94601NoNoNoNo44
24E2.R171 E2.V173 m1_off_allo19.02078.30126YesYesNoNo74
254x65 E2.R171 m1_off_allo13.37183.33103NoNoYesYes77
264x64 Allo1 m1_off_allo10.23160YesNoYesNo70
273x37 4x53 m1_off_allo15.96848.56985YesYesNoNo88
285x47 6x48 m1_off_allo32.02464.99792YesYesYesYes98
295x47 5x51 m1_off_allo21.69683.547YesYesNoNo97
305x51 5x54 m1_off_allo17.42350NoNoNoNo79
315x47 6x52 m1_off_allo13.1465.76215YesYesNoNo98
323x51 3x55 m1_off_allo12.64014.63242NoYesNoNo88
335x61 5x65 m1_off_allo14.33350NoNoNoNo98
343x54 5x65 m1_off_allo12.56060NoNoNoNo88
353x54 5x68 m1_off_allo10.77948.48124NoNoNoYes88
363x55 5x64 m1_off_allo10.85883.27011NoNoNoNo87
373x34 4x53 m1_off_allo12.84080NoNoNoNo88
383x34 4x58 m1_off_allo11.26440NoNoNoNo86
394x65 4x66 m1_off_allo11.51111.66967NoNoNoNo75
405x47 5x48 m1_off_allo19.56430YesYesYesNo97
415x41 5x45 m1_off_allo10.95089.26762YesYesNoNo76
427x45 7x48 m1_off_allo11.63240YesNoNoNo96
433x44 5x54 m1_off_allo13.11670NoNoNoNo79
442x50 3x39 m1_off_allo26.73940YesYesYesNo99
452x50 7x49 m1_off_allo20.50514.77087YesYesYesNo99
463x39 7x49 m1_off_allo38.66030YesNoYesNo99
476x48 7x45 m1_off_allo37.65680.949744YesYesYesNo89
487x38 7x42 m1_off_allo16.20257.91084YesYesYesYes78
497x38 Allo1 m1_off_allo57.52630YesYesYesNo70
502x60 7x42 Shared14.931432.1113YesYesYesYes78
512x57 7x42 Shared17.557315.5309NoYesYesYes88
522x53 7x42 Shared29.507457.4692YesYesYesYes88
532x53 7x46 Shared30.912450.9622YesYesNoNo89
542x50 7x46 Shared23.774950.0208YesYesNoNo99
551x50 2x50 Shared58.868543.2757YesYesYesYes99
562x42 3x49 Shared78.240514.4815YesYesYesNo89
572x38 I2x57 Shared23.151939.7425NoNoYesYes78
582x38 4x39 Shared19.681434.3458NoNoNoNo75
592x41 4x39 Shared10.858825.776NoNoNoNo75
607x38 Lig Shared56.581424.5383YesYesYesYes70
616x48 Lig Shared87.042165.9255YesYesYesYes80
622x63 E1x50 Shared20.13318.0867YesNoYesYes79
633x28 E1x50 Shared11.48625.848NoYesYesYes79
643x33 Lig Shared20.20414.4344YesYesYesYes80
653x33 E2x52 Shared15.61313.5899YesYesYesYes87
663x37 Lig Shared23.946348.0881YesYesYesYes80
676x52 Lig Shared13.405311.9673NoNoYesYes80
683x49 I2x53 Shared24.581917.0899YesNoYesYes99
693x52 I2x53 Shared24.874678.3525YesYesYesYes79
703x51 3x52 Shared16.135642.0352NoYesYesYes87
713x50 5x61 Shared16.09810.7102NoYesNoNo99
725x45 5x48 Shared13.116710.7933NoNoYesNo67
732x64 NT.K20 m1_off027.7918NoNoNoYes75
741x32 NT.K20 m1_off021.57NoNoNoYes45
751x32 2x65 m1_off013.3712NoNoNoNo46
762x61 2x65 m1_off4.4363610.0595NoNoNoNo86
772x60 2x64 m1_off7.2378330.9317YesYesNoNo77
781x50 2x47 m1_off1.6307139.2995YesYesNoNo99
791x53 2x47 m1_off038.2916NoNoNoNo99
801x53 8x54 m1_off1.5930832.1971NoNoYesYes99
811x56 8x54 m1_off1.6307127.1189NoNoYesYes99
821x56 8x50 m1_off026.0446NoNoYesYes99
838x50 I1x50 m1_off6.485216.2398YesYesNoNo99
841x60 I1x50 m1_off3.2488715.1876NoYesNoNo89
852x60 7x38 m1_off4.8252227.6866YesYesYesYes77
863x37 3x40 m1_off1.6307153.709YesYesNoNo89
873x40 5x50 m1_off0100NoNoNoNo99
883x44 5x50 m1_off4.4029196.669NoNoNoNo79
893x44 5x53 m1_off6.5939195.5531NoNoNoNo77
905x53 5x57 m1_off094.4372NoNoNoNo78
913x48 5x57 m1_off1.8230540.1052NoNoNoNo78
923x48 3x52 m1_off3.6084638.8398NoNoYesYes77
93I2x53 I2x57 m1_off1.9401247.6727YesYesYesYes98
941x57 2x41 m1_off5.4398722.9074NoNoNoNo87
951x57 2x44 m1_off3.6502811.6129NoNoNoNo87
967x42 Lig m1_off079.7951YesYesYesYes80
973x40 6x48 m1_off048.7055NoNoYesYes98
983x51 5x57 m1_off1.8523253.3739NoYesNoNo88
992x60 3x28 m1_off030.9234YesYesNoYes77
1002x63 E2.Q177 m1_off0.27178516.4696YesNoYesNo74
101E2.L174 E2.Q177 m1_off0.071082113.2189NoNoYesNo34
102E2.L174 E2x51 m1_off011.5852NoNoNoNo34
1033x30 4x61 m1_off019.1666NoNoNoYes87
1043x30 4x58 m1_off011.9147NoNoNoNo86
1056x44 6x48 m1_off1.655814.1132YesYesYesYes98
1063x43 6x44 m1_off1.5345414.7307NoNoYesYes89
1073x43 6x41 m1_off014.4206NoNoNoNo87
1086x37 6x41 m1_off5.4649613.7782NoNoNoNo97
1093x50 6x37 m1_off7.1960213.1054NoYesNoNo99
110E2.F182 E2x52 m1_off2.8892814.3292YesYesYesYes67
1114x64 E2.F182 m1_off3.2154215.8798YesNoYesYes76
1126x51 7x34 m1_off8.6971118.61NoNoYesYes87
1135x48 6x52 m1_off012.3134YesNoNoNo78
1146x47 6x48 m1_off9.2197711.1145NoYesYesYes88
1154x57 4x61 m1_off011.9396NoYesNoYes87
1166x51 Lig m1_off9.1654114.0966NoNoYesYes80

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
2x532x56Shared7.747.741122
2x537x42Shared4.844.841121
2x563x32Shared11.7811.781121
2x567x42Shared3.823.821121
2x577x42Shared13.177.180021
2x607x38Shared19.8612.911121
2x607x42Shared7.945.961121
3x327x38m1_off4.601111
3x327x42Shared10.3410.341111
3x32LigShared4.3310.881110
3x334x57Shared15.4311.581111
3x334x61Shared3.633.631112
3x33E2x52Shared8.469.671112
3x337x38m1_off4.9601111
3x33LigShared20.9611.961110
3x366x48Shared6.184.941111
3x36LigShared9.598.751110
3x373x40Shared4.34.31012
3x374x53Shared5.785.781012
3x374x57Shared8.769.861011
3x375x461m1_off4.5501011
3x37LigShared5.14.851010
3x406x48m1_off3.6800021
4x574x61m1_off3.5201012
4x57Ligm1_off801010
4x61E2x52Shared5.897.361122
E2.L183E2x52Shared7.148.561122
5x40E2.L183m1_off7.3700022
5x43E2.L183Shared4.427.370012
5x43Ligm1_off4.7100010
5x461LigShared4.028.041010
5x476x44Shared5.364.291122
5x476x48Shared7.026.011121
5x476x52Shared22.9625.371121
5x486x52m1_off5.8100021
6x446x48Shared17.0421.051121
6x447x45Shared3.624.831122
6x476x48Shared3.644.851121
6x477x45Shared5.857.311122
6x487x41Shared11.7514.371111
6x487x45Shared7.917.911112
6x48LigShared10.9114.111110
6x517x34Shared6.756.751112
6x517x38Shared7.946.951111
6x51LigShared14.2211.961110
6x52LigShared10.5211.010010
7x387x42Shared6.956.951111
7x38LigShared16.4713.671110
7x41LigShared6.084.631110
7x42Ligm1_off4.4901110
4x564x57Shared3.423.420021
3x414x53m1_off3.0700022
5x44Ligm1_off2.0100010
2x60Allo1m1_off_allo09.261122
3x373x41m1_off_allo08.161012
3x396x48m1_off_allo060121
3x397x45m1_off_allo012.050122
5x475x48m1_off_allo09.281122
7x34Allo1m1_off_allo020.231122
7x38Allo1m1_off_allo09.261112
Allo1Allo1m1_off_allo0466.880122
5x405x43m1_off_allo03.140021
6x526x55m1_off_allo02.960012
5x445x48m1_off_allo02.670012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
m1_off_allo 6WJC-M1-Atropine-Muscarinic toxin 7
m1_off 5CXV-M1-Tiotropium
Network Difference
Value m1_off_allo m1_off
Imin 3.52 3.5
Number of Linked Nodes 267 265
Number of Specific Nodes 11 (4.12%) 9  (3.40%)
Number of Shared Nodes 256 (95.88%) 256  (96.60%)
Number of Links 308 303
Number of Specific Links 112 (36.36%) 107  (35.31%)
Number of Shared Links 196 (63.64%) 196  (64.69%)
Number of Hubs 42 40
Number of Specific Hubs 16 (38.10%) 14  (35.00%)
Number of Shared Hubs 26 (61.90%) 26  (65.00%)
Average % Shared Neighbours (Jaccard) 49.63
Average % Shared Neighbours (Otsuka) 59.01
Average % Shared Neighbours (Overlap Coefficient) 68.17
Average % Shared Cliques (k3-6) 57.35
Graphlets Similarity 0.675717
Paths Difference
Value m1_off_allo m1_off
Number Of Nodes in MetaPath 69 66
Specific Nodes in MetaPath 32 (46.38%) 29  (43.94%)
Shared Nodes in MetaPath 256 (95.88%) 256  (95.88%)
Number Of Links MetaPath 72 67
Specific Links in MetaPath 49 (68.06%) 44  (65.67%)
Shared Links in MetaPath 196 (63.64%) 196  (63.64%)
Number of Shortest Paths 57611 73816
Length Of Smallest Path 3 3
Average Path Length 13.3193 14.8546
Length of Longest Path 32 34
Minimum Path Strength 1.2 1.32
Average Path Strength 7.49949 6.33489
Maximum Path Strength 21.325 18.1467
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.954644 0.923091
Maximum Path Correlation 1 0.99
Minimum % Of Corr. Nodes 4.54545 3.57143
Average % Of Corr. Nodes 62.478 44.5287
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 48.7939 44.5144
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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