Orange: nodes, hubs and links specific of opioid_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of opioid_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 opioid_off Avg Int. Strength opioid_on Avg Int. Strength opioid_off Num Of Links opioid_on Num Of Links ConSurf
11x42 opioid_off00427
21x50 opioid_off00439
31x60 opioid_off00435
42x41 opioid_off00425
52x45 opioid_off750439
62x57 opioid_off250427
73x37 opioid_off2518.75426
83x50 opioid_off500629
95x40 opioid_off025434
106x44 opioid_off1000539
117x34 opioid_off16.666725434
127x42 opioid_off91.666731.25436
137x49 opioid_off068.75439
148x54 opioid_off00416
151x39 Shared259.375446
162x42 Shared91.666771.875657
17E1x50 Shared66.666793.75658
18E1x52 Shared66.666790.625557
193x34 Shared16.666750455
203x51 Shared2562.5547
214x50 Shared66.666743.75449
22E2 Shared10010012133
235x47 Shared037.5448
245x58 Shared5081.25468
25I3 Shared41.666750644
266x48 Shared7568.75668
277x45 Shared33.333346.875549
287x53 Shared66.666750459
298x50 Shared66.666731.25568
30Lig Shared10010016210
311x35 opioid_on025245
321x43 opioid_on00247
332x44 opioid_on025345
342x50 opioid_on2575359
353x35 opioid_on00248
363x38 opioid_on00347
37I2x56 opioid_on00244
385x44 opioid_on037.5345
396x30 opioid_on00146
406x52 opioid_on2575358
41E3 opioid_on025372
427x35 opioid_on025344
   
Orange: nodes, hubs and links specific of opioid_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of opioid_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 opioid_off Recurrence opioid_on Recurrence opioid_off Hub1? opioid_on Hub1? opioid_off Hub2? opioid_on Hub2? ConSurf1 ConSurf2
11x39 2x57 opioid_off39.20480YesYesYesNo67
21x42 2x57 opioid_off11.98070YesNoYesNo77
37x42 Lig opioid_off56.90850YesNoYesYes60
46x48 Lig opioid_off79.97860YesYesYesYes80
52x50 7x46 opioid_off21.3141.07629NoYesNoNo98
62x54 7x46 opioid_off18.7110NoNoNoNo68
71x50 2x50 opioid_off18.7115.33915YesNoNoYes99
81x50 7x50 opioid_off10.79523.2183YesNoNoNo99
95x43 Lig opioid_off78.76638.02063NoNoYesYes50
103x37 5x43 opioid_off78.4816.99193YesNoNoNo65
113x37 3x41 opioid_off77.41130YesNoNoNo66
123x41 4x49 opioid_off77.4472.15523NoNoNoNo67
132x45 4x49 opioid_off75.78890YesNoNoNo97
148x50 8x54 opioid_off37.02091.03398YesYesYesNo86
151x52 8x54 opioid_off30.71850NoNoYesNo66
161x52 8x57 opioid_off28.49880NoNoNoNo64
171x55 8x57 opioid_off21.08220NoNoNoNo44
181x55 1x59 opioid_off18.79121.23232NoNoNoNo45
191x59 1x60 opioid_off16.44682.46199NoNoYesNo55
206x44 6x48 opioid_off59.4580.682269YesNoYesYes98
213x43 6x44 opioid_off62.98810NoNoYesNo89
223x43 6x41 opioid_off61.58850NoNoNoNo88
235x54 6x41 opioid_off59.85920NoNoNoNo88
243x47 5x54 opioid_off58.6290NoNoNoNo98
253x47 5x58 opioid_off58.23681.19265NoNoYesYes98
265x58 6x37 opioid_off50.5170.978448YesYesNoNo88
273x50 6x37 opioid_off47.3970YesNoNoNo98
282x41 4x46 opioid_off24.70144.29195YesNoNoNo57
292x46 7x53 opioid_off34.89930NoNoYesYes99
30E1x49 E2 opioid_off40.29241.02076NoNoYesYes43
312x66 E1x49 opioid_off38.60760NoNoNoNo44
322x66 E1x51 opioid_off36.45032.30596NoNoNoNo41
33E1x51 E1x52 opioid_off34.27534.60928NoNoYesYes17
343x28 E1x50 opioid_off11.5350NoNoYesYes68
357x34 7x38 opioid_off35.12210.169245YesNoNoNo45
363x40 6x44 opioid_off20.67210NoNoYesNo79
373x40 5x50 opioid_off18.14944.22848NoNoNoNo79
383x50 6x34 opioid_off35.60350YesNoNoNo96
393x51 5x61 opioid_off30.69170YesYesNoNo78
403x55 3x56 opioid_off10.50990NoNoNoNo76
412x41 4x39 opioid_off22.04490YesNoNoNo52
424x38 4x39 opioid_off19.23693.22623NoNoNoNo72
435x35 E2 opioid_off12.02535.97382NoNoYesYes73
445x47 6x52 opioid_off37.114.26815YesYesNoYes88
455x44 5x47 opioid_off15.76930.145445NoYesYesYes58
465x49 5x50 opioid_off15.60881.06307NoNoNoNo59
475x46 5x49 opioid_off13.05050NoNoNoNo45
485x47 6x49 opioid_off12.64934.66217YesYesNoNo85
496x31 6x34 opioid_off33.04510NoNoNoNo56
506x31 I3 opioid_off30.43320NoNoYesYes54
518x47 8x50 opioid_off29.55963.68637NoNoYesYes88
528x47 8x49 opioid_off16.1172.46199NoNoNoNo86
538x49 8x52 opioid_off13.75471.23232NoNoNoNo65
548x48 8x52 opioid_off11.37460NoNoNoNo45
556x36 8x47 opioid_off11.78460NoNoNoNo88
566x54 7x34 opioid_off11.50832.20547NoNoYesNo54
571x36 2x61 opioid_off28.70394.71506NoNoNoNo56
581x39 2x61 opioid_off30.89685.88126YesYesNoNo66
591x36 2x65 opioid_off21.97361.18472NoNoNoNo54
606x58 7x34 opioid_off15.76040NoNoYesNo54
616x58 E3 opioid_off13.87950.134867NoNoNoYes52
625x67 I3 opioid_off23.29290NoNoYesYes44
635x67 6x25 opioid_off21.01980NoNoNoNo43
645x66 6x25 opioid_off18.73770NoNoNoNo43
654x38 4x41 opioid_off13.56757.45736NoNoNoNo75
665x66 6x27 opioid_off10.63470NoNoNoNo43
671x32 2x65 opioid_off12.73850NoNoNoNo44
686x44 7x45 opioid_off22.3483.23417YesNoYesYes99
693x46 6x37 opioid_off40.1230NoNoNoNo88
702x57 7x42 Shared55.607116.0836YesNoYesNo76
716x48 7x45 Shared31.369297.895YesYesYesYes89
727x45 7x49 Shared49.9376100YesYesYesNo99
732x50 7x49 Shared41.495839.0718NoYesYesNo99
747x49 7x53 Shared36.619764.3105YesNoYesYes99
752x45 4x50 Shared10048.3961YesNoYesYes99
762x48 4x50 Shared79.889530.5487NoNoYesYes69
771x54 2x48 Shared78.097729.4513NoNoNoNo76
781x54 2x44 Shared76.288128.3485NoNoNoYes75
791x57 2x44 Shared72.615425.199NoNoNoYes75
801x57 8x50 Shared70.752420.6638NoNoYesYes78
812x45 4x46 Shared67.5711.1067YesNoNoNo97
822x42 4x46 Shared50.953814.9808YesYesNoNo77
832x42 3x49 Shared13.950817.2841YesYesNoNo78
842x42 3x46 Shared41.540433.2355YesYesNoNo78
85E2 Lig Shared70.110517.1704YesYesYesYes30
86E1x50 E1x52 Shared23.123616.0465YesYesYesYes87
877x38 Lig Shared36.913925.1144NoNoYesYes50
883x34 4x50 Shared19.245915.5362YesYesYesYes59
896x52 Lig Shared29.907351.6594NoYesYesYes80
905x58 5x61 Shared37.555742.9777YesYesNoNo88
913x51 3x55 Shared13.050512.8838YesYesNoNo77
922x46 3x42 Shared34.524939.5346NoNoNoNo97
932x45 3x42 Shared34.20438.8602YesNoNoNo97
943x36 6x48 Shared10.625847.3198NoNoYesYes78
951x39 7x35 opioid_on015.6869YesYesNoYes64
961x39 7x38 opioid_on024.2893YesYesNoNo65
972x60 Lig opioid_on1.7561111.0406NoNoYesYes70
981x43 2x57 opioid_on4.8404413.8014NoYesYesNo77
993x32 Lig opioid_on1.9522211.3103NoNoYesYes60
1003x36 Lig opioid_on1.3282247.0977NoNoYesYes70
1016x48 6x52 opioid_on052.9049YesYesNoYes88
1022x46 2x50 opioid_on032.8309NoNoNoYes99
1033x46 7x53 opioid_on035.076NoNoYesYes89
104E2x50 Lig opioid_on012.3575NoNoYesYes90
105E1x50 E2x50 opioid_on2.4246710.2816YesYesNoNo89
1062x63 Lig opioid_on011.2283NoNoYesYes50
1072x63 E1x50 opioid_on2.4335910.2843NoNoYesYes58
1083x50 7x53 opioid_on049.208YesNoYesYes99
1093x50 5x58 opioid_on048.4358YesNoYesYes98
1103x54 5x61 opioid_on4.8671841.9833NoNoNoNo88
1113x54 5x65 opioid_on2.6386240.9758NoNoNoNo88
1125x65 I3 opioid_on032.1433NoNoYesYes84
1135x68 I3 opioid_on2.7812417.382NoNoYesYes64
1145x64 5x68 opioid_on016.2687NoNoNoNo56
1153x55 5x64 opioid_on0.03565714.005NoNoNoNo75
1163x49 I2x56 opioid_on013.2752NoNoNoYes84
1176x40 7x53 opioid_on012.6802NoNoYesYes89
1186x40 7x52 opioid_on011.7334NoNoNoNo88

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
1x392x57opioid_off6.1883300022
2x577x42Shared9.6683310.60120021
2x607x42Shared9.018337.609381111
2x60LigShared7.1216710.41161110
2x63E1x50Shared6.763335.911870112
E1x49E2Shared7.371674.999371021
3x25E1x50Shared4.351675.509382122
E1x50E2x50Shared11.537513.63062121
3x22E2Shared11.51928.633751121
3x25E2x50Shared7.287.282121
3x32LigShared21.99426.389691110
3x334x60Shared7.375835.160621112
3x33LigShared9.585839.497191110
3x366x48Shared8.820835.67251111
3x366x52opioid_off4.6241701111
3x36LigShared10.88258.880631110
3x375x43Shared3.90253.426870021
3x375x461opioid_off7.0558300022
3x406x44opioid_off5.8816700022
E2E2Shared48.95534.26061111
E2E2x51Shared7.479174.944061112
5x32E2Shared4.913333.445311021
5x35E2Shared9.42256.262191121
5x36E2Shared6.7357.593751121
5x39E2Shared5.33.607810021
5x325x36opioid_off3.6301022
5x365x40Shared7.91755.789691121
5x406x55opioid_off3.7158301111
5x40LigShared4.216673.831561110
5x43LigShared5.084174.547811110
5x476x52Shared16.395.600940121
6x446x48Shared18.87338.047811121
6x447x45Shared6.544173.094691122
6x486x51opioid_off3.6016701111
6x487x41Shared5.628330.6596871112
6x487x45Shared5.744179.251871112
6x48Ligopioid_off4.5708301110
6x51LigShared4.1253.344371110
6x52LigShared5.478333.869381110
6x547x34Shared6.098.990940021
6x547x37opioid_off3.6808300022
6x55LigShared12.48587.375941010
7x347x35opioid_off3.7033300112
7x347x38Shared5.97255.349690111
7x38LigShared4.394175.619061110
7x42Ligopioid_off8.3341701010
3x327x42Shared5.1756.756251111
6x58E3Shared4.814173.753750111
E2LigShared4.8813.14061110
3x29LigShared3.185835.913750010
6x587x34opioid_off2.9991700111
4x63E2Shared2.794173.130940021
3x33E2x52Shared2.781672.790631112
5x445x47Shared2.411676.06250122
7x30E3Shared2.363333.768750121
1x31NTopioid_off2.2816700021
6x576x61opioid_off2.21500022
5x406x59Shared2.149174.295621112
2x67E2opioid_off1.107501011
7x28NTopioid_off0.91666700021
6x57E3opioid_off0.82916700021
1x282x67opioid_off0.3600021
1x397x35opioid_on09.715940022
1x397x38opioid_on04.5150021
2x562x60opioid_on03.189060021
2x563x32opioid_on05.691250021
3x406x48opioid_on03.265620021
E2x50Ligopioid_on04.616882110
5x31E2opioid_on03.850630021
5x446x52opioid_on06.637810121
6x486x52opioid_on04.340621111
6x546x58opioid_on04.417810021
6x58Ligopioid_on04.968440110
7x34Ligopioid_on06.060630110
5x4616x52opioid_on03.441560021
E2E3opioid_on03.56751111
E3E3opioid_on05.626870111
2x63Ligopioid_on06.990630110
E3Ligopioid_on05.541250110
6x517x37opioid_on02.606871112
6x61E3opioid_on01.843750021
2x67Ligopioid_on00.6178131010
LigNTopioid_on00.111251101

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
opioid_off kop_off
mop_off
nop_off
dop_off
opioid_on kop_on
mop_on
nop_on
dop_on
Network Difference
Value opioid_off opioid_on
Imin 3.59583 2.96625
Number of Linked Nodes 274 269
Number of Specific Nodes 5 (1.82%) 0  (0.00%)
Number of Shared Nodes 269 (98.18%) 269  (100.00%)
Number of Links 294 290
Number of Specific Links 123 (41.84%) 119  (41.03%)
Number of Shared Links 171 (58.16%) 171  (58.97%)
Number of Hubs 30 28
Number of Specific Hubs 14 (46.67%) 12  (42.86%)
Number of Shared Hubs 16 (53.33%) 16  (57.14%)
Average % Shared Neighbours (Jaccard) 46.13
Average % Shared Neighbours (Otsuka) 54.70
Average % Shared Neighbours (Overlap Coefficient) 63.48
Average % Shared Cliques (k3-6) 77.17
Graphlets Similarity 0.504975
Paths Difference
Value opioid_off opioid_on
Number Of Nodes in MetaPath 92 48
Specific Nodes in MetaPath 57 (61.96%) 13  (27.08%)
Shared Nodes in MetaPath 269 (98.18%) 269  (98.18%)
Number Of Links MetaPath 94 49
Specific Links in MetaPath 69 (73.40%) 24  (48.98%)
Shared Links in MetaPath 171 (58.16%) 171  (58.16%)
Number of Shortest Paths 38118 61553
Length Of Smallest Path 3 3
Average Path Length 13.0331 13.8803
Length of Longest Path 30 28
Minimum Path Strength 0.4225 0.253438
Average Path Strength 5.81897 5.41588
Maximum Path Strength 15.1461 16.0392
Minimum Path Correlation 0.704167 0.700312
Average Path Correlation 0.919541 0.914169
Maximum Path Correlation 0.989167 0.989375
Minimum % Of Corr. Nodes 3.84615 4
Average % Of Corr. Nodes 48.3493 43.2466
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 39.1362 40.9587
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 opioid_off_on.zip<



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