Orange: nodes, hubs and links specific of ox1_off_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ox1_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 ox1_off_allo Avg Int. Strength ox1_off Avg Int. Strength ox1_off_allo Num Of Links ox1_off Num Of Links ConSurf
11x36 ox1_off_allo00427
21x53 ox1_off_allo2530439
32x40 ox1_off_allo2510439
42x41 ox1_off_allo00434
52x60 ox1_off_allo5020437
62x64 ox1_off_allo5010436
73x32 ox1_off_allo5040438
83x55 ox1_off_allo010427
94x61 ox1_off_allo2530437
105x44 ox1_off_allo2540436
115x54 ox1_off_allo500428
127x31 ox1_off_allo00433
13Na ox1_off_allo750400
141x39 Shared100100777
151x50 Shared020449
161x52 Shared00456
17I1x50 Shared5060548
182x42 Shared100100648
192x45 Shared10080549
202x50 Shared10070549
212x57 Shared10090448
222x65 Shared00445
23E1x50 Shared100100668
243x30 Shared5050546
253x38 Shared10080557
263x51 Shared100100558
273x54 Shared2530559
284x57 Shared2530458
29E2.F199 Shared00443
30E2x52 Shared100100555
31E2.W206 Shared100100557
325x39 Shared75100457
335x43 Shared7550446
345x47 Shared10090448
355x58 Shared7580448
365x66 Shared00446
376x37 Shared010448
386x44 Shared10090659
396x48 Shared10050548
406x51 Shared2570547
416x59 Shared10080446
42E3.F327 Shared10090443
437x38 Shared10050547
447x39 Shared100100567
457x42 Shared100100667
467x45 Shared10060649
477x49 Shared10070559
487x53 Shared10080559
498x50 Shared100100668
50Lig Shared1001008120
51NT.Y45 ox1_off00354
523x28 ox1_off2540346
533x31 ox1_off00346
543x49 ox1_off030349
553x50 ox1_off2530349
563x52 ox1_off2540345
574x49 ox1_off050347
58E2.C185 ox1_off020344
59E2.L192 ox1_off00342
606x28 ox1_off00246
616x31 ox1_off00346
626x60 ox1_off010345
637x26 ox1_off00343
647x34 ox1_off5060345
658x53 ox1_off030247
66NT.R37 ox1_off00240
   
Orange: nodes, hubs and links specific of ox1_off_allo network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ox1_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 ox1_off_allo Recurrence ox1_off Recurrence ox1_off_allo Hub1? ox1_off Hub1? ox1_off_allo Hub2? ox1_off Hub2? ConSurf1 ConSurf2
11x36 2x65 ox1_off_allo12.11532.8241YesNoYesYes75
22x61 2x65 ox1_off_allo23.80189.84029NoNoYesYes75
31x39 2x64 ox1_off_allo16.30941.93199YesYesYesNo76
41x43 2x57 ox1_off_allo11.86063.04645NoNoYesYes78
52x60 7x38 ox1_off_allo17.39190YesNoYesYes77
66x51 7x38 ox1_off_allo34.97475.05572YesYesYesYes77
76x51 7x41 ox1_off_allo92.99576.59047YesYesNoNo77
86x48 7x41 ox1_off_allo91.71376.01155YesYesNoNo87
96x48 Na ox1_off_allo13.94070YesYesYesNo80
102x50 Na ox1_off_allo12.89210YesYesYesNo90
114x56 4x57 ox1_off_allo99.66041.49001NoNoYesYes68
123x37 4x56 ox1_off_allo99.73680NoNoNoNo86
132x42 4x42 ox1_off_allo55.60130YesYesNoNo87
142x41 4x42 ox1_off_allo52.71040YesNoNoNo47
152x41 I1x51 ox1_off_allo32.23675.68345YesNoNoNo47
161x58 I1x51 ox1_off_allo26.31067.28328NoNoNoNo37
171x58 1x59 ox1_off_allo23.33490NoNoNoNo36
181x59 8x61 ox1_off_allo14.35240NoNoNoNo63
198x50 I1x50 ox1_off_allo10.54047.25887YesYesYesYes88
207x34 E3.F327 ox1_off_allo61.14968.90073NoYesYesYes53
216x57 E3.F327 ox1_off_allo58.53461.65813NoNoYesYes53
226x53 6x57 ox1_off_allo58.12280.833808NoNoNoNo65
236x49 6x53 ox1_off_allo57.37570NoNoNoNo66
245x47 6x49 ox1_off_allo56.65839.32102YesYesNoNo86
255x47 5x51 ox1_off_allo49.97241.57949YesYesNoNo86
265x51 5x54 ox1_off_allo48.42720NoNoYesNo68
273x47 5x54 ox1_off_allo46.14760NoNoYesNo98
283x47 5x58 ox1_off_allo45.55331.59576NoNoYesYes98
292x41 4x43 ox1_off_allo15.12934.07278YesNoNoNo44
303x34 4x57 ox1_off_allo16.4248.06692NoNoYesYes68
313x30 3x34 ox1_off_allo12.8036.61216YesYesNoNo66
327x31 7x35 ox1_off_allo14.89583.35828YesNoNoNo35
334x61 Lig ox1_off_allo22.61758.21741YesNoYesYes70
345x58 5x61 ox1_off_allo59.57890YesYesNoNo89
353x55 5x61 ox1_off_allo18.76720YesNoNoNo79
363x51 3x55 ox1_off_allo12.68411.59169YesYesYesNo87
373x54 5x61 ox1_off_allo39.25371.59576YesYesNoNo99
384x61 E2x52 ox1_off_allo17.20514.41444YesNoYesYes75
395x39 E2.W206 ox1_off_allo23.81888.63093YesYesYesYes77
403x21 E1x50 ox1_off_allo17.36210NoNoYesYes88
413x21 E2.R197 ox1_off_allo15.82540.749749NoNoNoNo83
42E2.F199 E2.R197 ox1_off_allo14.4670YesYesNoNo33
435x35 E2.W206 ox1_off_allo23.79767.88118NoNoYesYes47
445x35 E2.D208 ox1_off_allo20.42286.5742NoNoNoNo44
455x34 E2.D208 ox1_off_allo17.03953.95211NoNoNoNo34
465x44 5x47 ox1_off_allo10.84186.25695YesNoYesYes68
476x27 6x31 ox1_off_allo20.21481.58762NoNoNoYes56
486x24 6x27 ox1_off_allo18.46160NoNoNoNo45
497x54 8x54 ox1_off_allo15.88914.87947NoNoNoNo77
50NT.Y41 NT.Y45 ox1_off_allo10.59560NoNoNoYes44
517x27 7x31 ox1_off_allo10.47251.69338NoNoYesNo53
524x43 4x44 ox1_off_allo12.11950NoNoNoNo43
532x57 7x42 ox1_off_allo11.52524.066YesYesYesYes87
541x39 2x61 Shared26.162111.2354YesYesNoNo77
551x39 7x39 Shared16.933411.2354YesYesYesYes77
561x39 2x60 Shared13.291211.7303YesYesYesNo77
571x39 7x42 Shared22.553811.8387YesYesYesYes77
582x64 7x38 Shared39.733418.5553YesNoYesYes67
597x42 Lig Shared36.808617.0436YesYesYesYes70
606x51 Lig Shared61.230210.8517YesYesYesYes70
616x48 7x45 Shared65.882850.0651YesYesYesYes89
627x45 7x49 Shared63.246649.3818YesYesYesYes99
637x49 7x53 Shared53.338739.9157YesYesYesYes99
647x53 8x50 Shared44.509134.1644YesYesYesYes98
658x50 8x54 Shared24.421614.3605YesYesNoNo87
665x43 Lig Shared86.513694.9117YesYesYesYes60
674x57 5x43 Shared92.634999.4699YesYesYesYes86
683x37 4x53 Shared99.796299.9905NoNoNoNo88
693x38 4x53 Shared100100YesYesNoNo78
702x45 3x38 Shared65.292749.5119YesYesYesYes97
712x45 3x42 Shared32.84824.7322YesYesNoNo98
722x42 3x42 Shared32.321648.7906YesYesNoNo88
732x45 4x46 Shared32.84824.7878YesYesNoNo98
742x42 4x46 Shared32.321624.5058YesYesNoNo88
753x38 4x49 Shared34.325350.1464YesYesNoYes77
763x45 4x49 Shared33.24725.0508NoNoNoYes77
772x42 3x45 Shared31.96524.5397YesYesNoNo87
787x34 7x38 Shared63.56510.9331NoYesYesYes57
795x58 6x37 Shared34.779512.6996YesYesYesYes88
802x39 6x37 Shared19.026280.5838NoNoYesYes88
812x39 3x50 Shared15.910379.1101NoNoNoYes89
822x42 3x46 Shared49.751796.3855YesYesNoNo88
833x46 6x37 Shared47.353294.9646NoNoYesYes88
843x29 Lig Shared46.678328.9406NoNoYesYes60
853x28 3x29 Shared37.322225.0617NoYesNoNo66
863x28 E1x50 Shared34.503521.6654NoYesYesYes68
872x64 7x35 Shared29.057217.8557YesNoNoNo65
883x54 5x65 Shared33.701233.1517YesYesNoNo98
895x39 5x43 Shared22.872211.375YesYesYesYes76
905x65 5x66 Shared32.181530.3221NoNoYesYes86
915x66 6x31 Shared23.606622.5806YesYesNoYes66
926x24 I3.T250 Shared13.108610.727NoNoNoNo43
937x35 NT.Y45 Shared13.431313.8575NoNoNoYes54
947x38 Lig Shared36.715222.9765YesYesYesYes70
953x36 Lig ox1_off049.5146NoNoYesYes70
963x36 6x48 ox1_off1.7871548.9601NoNoYesYes78
971x57 8x50 ox1_off011.2354NoNoYesYes88
981x57 2x44 ox1_off3.5870410.4504NoNoNoNo86
993x37 4x57 ox1_off099.9783NoNoYesYes88
1003x49 3x50 ox1_off9.5725335.8266NoYesNoYes99
1013x42 4x49 ox1_off024.7336NoNoNoYes87
102E1x50 E2.C185 ox1_off017.651YesYesNoYes84
103E2.C185 E2.S200 ox1_off4.5718916.3169NoYesNoNo43
104E2.R197 E2.S200 ox1_off015.6078NoNoNoNo33
1053x49 I2.S156 ox1_off3.196525.1837NoYesNoNo95
106I2.S156 I2x53 ox1_off023.6707NoNoNoNo57
1073x52 I2x53 ox1_off3.6889222.1115NoYesNoNo57
1083x51 3x52 ox1_off7.3481317.4178YesYesNoYes85
1093x50 3x54 ox1_off042.1012NoYesYesYes99
110E2.R197 E2.S187 ox1_off014.2751NoNoNoNo35
111E2.L192 E2.S187 ox1_off012.964NoYesNoNo25
1126x51 7x37 ox1_off3.4342212.4258YesYesNoNo76
1136x50 7x37 ox1_off010.8368NoNoNoNo96
1146x49 6x50 ox1_off010.0803NoNoNoNo69
1156x28 6x31 ox1_off018.1363NoYesNoYes66
1166x24 6x28 ox1_off3.6889212.0678NoNoNoYes46
1172x60 Lig ox1_off012.2495YesNoYesYes70

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
1x392x57Shared5.3935.861222
1x392x60Shared5.3426.361221
1x392x64Shared3.914.88751222
1x397x42Shared4.3664.7151221
2x563x32Shared6.4088.01251221
2x567x42Shared4.034.031221
2x577x42Shared12.6614.361221
2x607x42Shared9.0288.91211
2x60Ligox1_off5.48201210
2x647x38Shared10.7159.45250221
3x283x29Shared3.393.390021
3x294x65Shared8.2218.80751012
3x29LigShared11.68211.9851010
3x327x42Shared7.3268.4551211
3x32LigShared18.0314.661210
3x334x57Shared5.9577.08750022
3x366x48Shared5.35.9951012
3x36Ligox1_off3.52601010
4x575x43Shared4.8515.60021
4x61E2x52Shared5.7346.371012
4x615x39Shared9.8089.021012
4x61LigShared8.7859.53251010
5x395x43Shared5.4684.12750021
5x435x461Shared11.54312.321012
5x43LigShared6.44811.19751010
6x487x41Shared8.4539.7751122
6x517x37Shared5.4174.25751212
6x517x38Shared3.8464.311211
6x517x41Shared3.3793.4551212
6x51LigShared10.9112.1751210
6x55LigShared9.14210.88250210
7x347x38Shared3.8453.6750021
7x38LigShared1211.0351210
7x42LigShared4.3524.83751210
2x602x64ox1_off_allo03.681212
2x607x38ox1_off_allo03.83251211
3x334x61ox1_off_allo03.66750021
6x516x55ox1_off_allo03.541211
2x533x32ox1_off_allo03.41250021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
ox1_off_allo 6TOD-OX1-EMPA-Na
6TOS-OX1-GSK1059865-Na
6TQ4-OX1-PubChem 16046844-Na
6TO7-OX1-Suvorexant-Na
ox1_off 6TOT-OX1-Lemborexant
6TP4-OX1-ACT-462206
6TP6-OX1-Filorexant
6V9S-OX1-GTPL11403
6TP3-OX1-Nemorexant
6TQ6-OX1-PubChem 145714283
6TQ7-OX1-SB-334867
6TQ9-OX1-SB-408124
4ZJC-OX1-SB-674042
4ZJ8-OX1-Suvorexant
Network Difference
Value ox1_off_allo ox1_off
Imin 3.4675 3.34
Number of Linked Nodes 316 319
Number of Specific Nodes 5 (1.58%) 8  (2.51%)
Number of Shared Nodes 311 (98.42%) 311  (97.49%)
Number of Links 347 353
Number of Specific Links 67 (19.31%) 73  (20.68%)
Number of Shared Links 280 (80.69%) 280  (79.32%)
Number of Hubs 50 53
Number of Specific Hubs 13 (26.00%) 16  (30.19%)
Number of Shared Hubs 37 (74.00%) 37  (69.81%)
Average % Shared Neighbours (Jaccard) 68.95
Average % Shared Neighbours (Otsuka) 76.54
Average % Shared Neighbours (Overlap Coefficient) 84.94
Average % Shared Cliques (k3-6) 61.03
Graphlets Similarity 0.580672
Paths Difference
Value ox1_off_allo ox1_off
Number Of Nodes in MetaPath 89 61
Specific Nodes in MetaPath 42 (47.19%) 14  (22.95%)
Shared Nodes in MetaPath 311 (98.42%) 311  (98.42%)
Number Of Links MetaPath 94 64
Specific Links in MetaPath 53 (56.38%) 23  (35.94%)
Shared Links in MetaPath 280 (80.69%) 280  (80.69%)
Number of Shortest Paths 68379 118119
Length Of Smallest Path 3 3
Average Path Length 15.2228 18.2253
Length of Longest Path 35 39
Minimum Path Strength 0.4275 0.2235
Average Path Strength 5.97768 5.47047
Maximum Path Strength 18.4938 17.927
Minimum Path Correlation 0.705 0.7
Average Path Correlation 0.930453 0.920675
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.33333 2.94118
Average % Of Corr. Nodes 45.7081 37.8941
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 49.3329 53.7568
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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