Orange: nodes, hubs and links specific of kop_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of kop_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 kop_off Avg Int. Strength kop_on Avg Int. Strength kop_off Num Of Links kop_on Num Of Links ConSurf
11x54 kop_off3.095.6417
22x41 kop_off3.0343.12167535
32x45 kop_off9.60210.9112529
42x56 kop_off4.2153.11437
52x57 kop_off7.9026.07333537
63x38 kop_off7.086.28083437
73x41 kop_off4.2053.28375426
83x50 kop_off6.681677.46629
94x50 kop_off9.7959.38333439
104x56 kop_off4.36755.2325425
115x35 kop_off8.5611.6463427
125x40 kop_off7.385.04583434
136x44 kop_off9.3785.54625529
147x45 kop_off7.868.51417439
158x48 kop_off5.8653.81917434
161x43 Shared4.21254.36188447
172x42 Shared6.5224.86071577
18E1x50 Shared9.601677.73167668
19E1x52 Shared11.0626.26042567
203x34 Shared7.24755.51562445
213x51 Shared6.8767.26062547
22E2.F214 Shared6.8283.049556
235x47 Shared7.42755.465448
245x58 Shared8.78256.579458
256x48 Shared7.423757.31125848
267x38 Shared6.965.08563445
277x42 Shared10.57256.374456
287x49 Shared6.84255.577459
297x53 Shared7.17754.69375469
308x50 Shared7.306675.0985658
31Lig Shared9.202318.565313250
321x42 kop_on4.746673.18625347
332x46 kop_on5.8054.463259
342x50 kop_on6.983336.1235359
352x59 kop_on10.935.4625245
362x60 kop_on6.876676.71187347
372x64 kop_on6.637.89244
383x26 kop_on2.772.8125146
393x37 kop_on7.263334.99438346
403x45 kop_on4.4354.48625246
41E2.R202 kop_on7.513.78375342
42E2.E209 kop_on14.2154.40625243
435x44 kop_on7.736676.69125345
44I3.L259 kop_on1.52.812153
456x49 kop_on4.0053.63063245
466x52 kop_on8.445.62188348
477x35 kop_on8.6933311.1031344
487x52 kop_on2.982.39437248
   
Orange: nodes, hubs and links specific of kop_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of kop_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 kop_off Recurrence kop_on Recurrence kop_off Hub1? kop_on Hub1? kop_off Hub2? kop_on Hub2? ConSurf1 ConSurf2
11x38 1x42 kop_off11.82191.19564NoNoNoYes57
21x34 1x38 kop_off10.37310NoNoNoNo55
31x42 7x47 kop_off11.82195.93614NoYesNoNo77
46x48 Lig kop_off79.69170YesYesYesYes80
51x52 8x54 kop_off14.94690NoNoNoNo66
68x50 8x54 kop_off17.83610YesYesNoNo86
72x43 7x53 kop_off35.06990NoNoYesYes89
81x52 8x57 kop_off13.48970NoNoNoNo64
92x48 4x50 kop_off10.96280NoNoYesNo69
102x45 4x49 kop_off97.60780YesNoNoNo97
113x41 4x49 kop_off1002.252YesNoNoNo67
123x37 3x41 kop_off41.61890NoYesYesNo66
133x37 4x56 kop_off41.23152.06806NoYesYesNo65
143x33 4x56 kop_off42.77290NoNoYesNo55
153x33 Lig kop_off43.24881.00907NoNoYesYes50
163x40 3x41 kop_off62.83270NoNoYesNo76
173x40 6x44 kop_off66.51795.39745NoNoYesNo79
186x44 6x48 kop_off61.17346.4617YesNoYesYes98
191x57 8x50 kop_off22.65410NoNoYesYes78
203x50 6x37 kop_off22.56150YesNoNoNo98
213x46 6x37 kop_off63.22020NoNoNoNo88
222x41 4x46 kop_off27.27858.64013YesNoNoNo57
232x41 4x42 kop_off10.84060YesNoNoNo57
242x42 4x42 kop_off10.75641.12732YesYesNoNo77
257x38 Lig kop_off16.72420.990671YesYesYesYes50
267x34 7x38 kop_off23.23110.186572NoNoYesYes45
272x66 E1x51 kop_off46.54232.2704NoNoNoNo41
28E1x51 E1x52 kop_off49.04824.53817NoNoYesYes17
29E1x49 E2.V207 kop_off21.020NoNoNoNo43
302x66 E1x49 kop_off44.0280NoNoNoNo44
313x28 E1x50 kop_off32.90090NoNoYesYes68
323x28 Lig kop_off34.0178.27487NoNoYesYes60
333x22 E2.T199 kop_off13.19919.22612NoNoNoNo24
34E2.I208 E2.T199 kop_off15.81450NoNoNoNo44
35E1x49 E2.I208 kop_off21.021.16673NoNoNoNo44
365x58 6x37 kop_off40.6250.867166YesYesNoNo88
373x51 5x61 kop_off24.8610YesYesNoNo78
383x51 5x64 kop_off10.50370YesYesNoNo75
392x41 4x39 kop_off11.89770YesNoNoNo52
405x32 E2.F214 kop_off21.89180NoNoYesYes16
415x32 5x36 kop_off26.04870NoNoNoNo14
42E2.R202 E2.V205 kop_off13.19910NoYesNoNo21
43E2.V205 E2.V207 kop_off15.81450NoNoNoNo13
445x35 E2.F214 kop_off13.2374.67218YesNoYesYes76
455x47 6x52 kop_off21.82875.80213YesYesNoYes88
466x27 6x30 kop_off10.36890NoNoNoNo36
473x50 6x30 kop_off12.29780YesNoNoNo96
488x48 8x49 kop_off10.34790YesNoNoNo46
498x47 8x49 kop_off11.82191.12732NoNoNoNo86
508x47 8x50 kop_off17.62552.252NoNoYesYes88
516x48 6x51 kop_off19.95870YesYesNoNo86
526x51 6x55 kop_off13.34650.0919721NoNoNoNo65
536x54 7x34 kop_off11.67452.31244NoNoNoNo54
541x57 I1x51 kop_off22.17820NoNoNoNo77
55E1x50 E1x52 kop_off58.56225.58402YesYesYesYes87
562x41 I1x51 kop_off21.31910YesNoNoNo57
571x42 2x57 Shared24.48211.7435NoYesYesNo77
582x50 7x49 Shared12.900115.7246NoYesYesYes99
597x45 7x49 Shared40.334498.983YesNoYesYes99
606x48 7x45 Shared36.0091100YesYesYesNo89
617x42 Lig Shared33.023120.8146YesYesYesYes60
622x57 7x42 Shared33.772718.539YesNoYesYes76
632x43 8x50 Shared34.716119.0225NoNoYesYes88
647x49 7x53 Shared33.814990.4743YesYesYesYes99
652x45 4x50 Shared26.655215.3383YesNoYesNo99
662x42 4x46 Shared67.937225.4158YesYesNoNo77
672x45 4x46 Shared77.952316.3947YesNoNoNo97
682x42 3x46 Shared65.069146.5484YesYesNoNo78
69E1x50 E2x50 Shared32.989410.8974YesYesNoNo89
70E2x50 Lig Shared35.419522.88NoNoYesYes90
713x34 4x50 Shared14.55111.0288YesYesYesNo59
726x48 6x52 Shared16.42153.286YesYesNoYes88
733x47 5x58 Shared10.503712.8183NoNoYesYes98
745x58 5x61 Shared26.878429.4495YesYesNoNo88
755x36 5x40 Shared28.175516.371NoNoYesNo44
765x40 6x55 Shared38.687718.581YesNoNoNo45
776x55 Lig Shared28.141819.4271NoNoYesYes50
783x36 Lig kop_on7.5977148.3511NoNoYesYes70
793x36 6x48 kop_on0.57698849.3155NoNoYesYes78
806x52 Lig kop_on051.8828NoYesYesYes80
813x46 7x53 kop_on062.5384NoNoYesYes89
822x43 3x46 kop_on020.0631NoNoNoNo88
832x42 3x45 kop_on015.9742YesYesNoYes76
842x50 7x46 kop_on1.6383111.1812NoYesNoNo98
853x25 E2x50 kop_on1.3182311.1129NoNoNoNo99
863x25 E2.T199 kop_on010.3561NoNoNoNo94
873x45 3x48 kop_on2.1142211.8907NoYesNoNo66
883x50 7x53 kop_on047.0897YesNoYesYes99
893x50 5x58 kop_on046.438YesNoYesYes98
903x47 5x57 kop_on011.9038NoNoNoNo97
913x51 5x57 kop_on2.1142210.8264YesYesNoNo77
923x48 3x52 kop_on010.8133NoNoNoNo65
933x54 5x61 kop_on028.4641NoNoNoNo88
943x54 5x65 kop_on2.1142227.4655NoNoNoNo88
955x36 E2.F214 kop_on011.8933NoNoYesYes46
96E2.E209 Lig kop_on020.7647NoYesYesYes30
97E2.E209 E2.R202 kop_on5.3023914.6998NoYesNoYes32
985x65 I3.L259 kop_on025.7154NoNoNoYes83
996x29 I3.L259 kop_on015.4172NoNoNoYes53

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
2x563x31kop_off4.5601012
2x567x42Shared4.993.12251011
2x56Ligkop_off5.7401010
2x577x42Shared17.969.57751021
2x607x38Shared5.493.0851111
2x607x42Shared5.649.58251111
2x60LigShared9.59.95251110
2x647x35Shared10.9224.82250022
3x25E1x50Shared5.226.85751122
3x28E1x50kop_off7.3600112
E1x50E2x50Shared23.5116.64751121
3x25E2x50Shared7.287.281121
3x28LigShared3.873.68250110
3x32LigShared33.4716.0650110
3x334x56kop_off5.0500012
3x33LigShared6.097.440010
3x356x48kop_off4.5200021
3x366x48Shared6.984.07251111
3x366x52kop_off5.2501111
3x36LigShared11.018.64251110
3x374x56Shared9.188.850022
E2.E209E2.K200Shared12.153.71250112
E2.E209E2.R202Shared16.286.10750112
E2x50LigShared4.124.51751110
5x32E2x51kop_off3.8200112
5x32E2.F214kop_off12.3800112
5x325x36kop_off12.6400112
5x365x40Shared16.597.60250022
5x406x55Shared7.274.7250021
5x406x58kop_off4.0500021
5x43LigShared8.74.9950110
5x476x52Shared15.845.09250121
6x446x48Shared22.058.2651021
6x447x45kop_off7.2501022
6x486x51kop_off4.701011
6x486x52Shared4.234.761011
6x487x41kop_off4.2201011
6x487x45Shared6.7812.14751012
6x48Ligkop_off5.9101010
6x516x55Shared4.424.050111
6x517x38kop_off4.4200111
6x547x34Shared7.228.510021
6x547x37kop_off4.1900022
6x55LigShared10.1910.660110
7x317x35Shared8.214.10250112
7x347x35kop_off6.9500112
7x347x38Shared13.37.8550111
7x38LigShared4.636.0751110
7x42LigShared13.76.261110
3x29LigShared2.78.59750010
5x445x47Shared2.148.30750122
7x407x41kop_off1.7100021
2x552x56Shared1.570.7850021
2x563x32kop_on05.42251011
2x59E1x50kop_on03.510122
2x593x28kop_on07.5350121
3x313x35kop_on03.540022
3x363x37kop_on03.73251112
3x375x43kop_on03.930021
E2.E209E2x51kop_on04.310112
E2.E209Ligkop_on03.4950110
5x36E2.F214kop_on06.26750022
5x32Ligkop_on06.17250110
5x446x52kop_on08.76750121
6x517x37kop_on03.27250112
6x546x58kop_on08.7450021
6x58Ligkop_on06.36250110
7x31Ligkop_on07.30750110
7x34Ligkop_on013.03750110
7x387x42kop_on03.32751111
6x51Ligkop_on03.69250110
6x52Ligkop_on03.86751110
5x315x32kop_on05.460021
2x602x64kop_on04.22751112
7x27Ligkop_on03.410010
7x30Ligkop_on02.680010
E3.T302Ligkop_on02.0650010
E3.S303Ligkop_on01.890010
7x41Ligkop_on00.710010

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
kop_off 4DJH-κ-JDTic
kop_on 8F7W-κ-Dynorphin-Gi1/&β;1/&γ;2
8DZR-κ-GR89,696-chim(NtGi2-Gt3)/&β;1/&γ;2
8DZP-κ-momSalB-Gi1/&β;1/&γ;2
8FEG-κ-PRD_002517-Gi1/&β;1/&γ;2
Network Difference
Value kop_off kop_on
Imin 3.77 2.95
Number of Linked Nodes 267 283
Number of Specific Nodes 11 (4.12%) 27  (9.54%)
Number of Shared Nodes 256 (95.88%) 256  (90.46%)
Number of Links 283 306
Number of Specific Links 145 (51.24%) 168  (54.90%)
Number of Shared Links 138 (48.76%) 138  (45.10%)
Number of Hubs 31 33
Number of Specific Hubs 15 (48.39%) 17  (51.52%)
Number of Shared Hubs 16 (51.61%) 16  (48.48%)
Average % Shared Neighbours (Jaccard) 31.10
Average % Shared Neighbours (Otsuka) 39.73
Average % Shared Neighbours (Overlap Coefficient) 48.02
Average % Shared Cliques (k3-6) 52.68
Graphlets Similarity 0.5007
Paths Difference
Value kop_off kop_on
Number Of Nodes in MetaPath 73 43
Specific Nodes in MetaPath 42 (57.53%) 12  (27.91%)
Shared Nodes in MetaPath 256 (95.88%) 256  (95.88%)
Number Of Links MetaPath 77 43
Specific Links in MetaPath 56 (72.73%) 22  (51.16%)
Shared Links in MetaPath 138 (48.76%) 138  (48.76%)
Number of Shortest Paths 56638 61233
Length Of Smallest Path 3 3
Average Path Length 13.5668 12.9457
Length of Longest Path 28 29
Minimum Path Strength 1.19 0.41625
Average Path Strength 7.49318 5.67666
Maximum Path Strength 23.585 15.465
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.926981 0.911351
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.16667 4.16667
Average % Of Corr. Nodes 51.1717 40.9096
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 42.6738 42.2003
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 kop_off_on.zip<



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