Orange: nodes, hubs and links specific of ox2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ox2_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 ox2_off Avg Int. Strength ox2_on Avg Int. Strength ox2_off Num Of Links ox2_on Num Of Links ConSurf
1NT.E38 ox2_off500406
2NT.Y42 ox2_off500404
3NT.R45 ox2_off1000406
4NT.K51 ox2_off00414
51x31 ox2_off00424
61x52 ox2_off00426
72x551 ox2_off00415
82x60 ox2_off10033.3333537
92x66 ox2_off1000425
10E1x49 ox2_off1000535
113x33 ox2_off500436
123x56 ox2_off1000536
134x61 ox2_off10033.3333426
145x43 ox2_off1000435
155x66 ox2_off00525
166x37 ox2_off00428
177x45 ox2_off5033.3333439
185x71 ox2_off500500
191x39 Shared100100657
20I1x50 Shared10033.3333448
212x42 Shared10033.3333568
222x57 Shared10033.3333447
23E1x50 Shared100100657
243x51 Shared100100558
253x52 Shared500444
264x57 Shared5033.3333457
27E2.F207 Shared00453
28E2x52 Shared100100554
29E2.W214 Shared10066.6667664
305x44 Shared00446
315x47 Shared50100448
325x58 Shared50100459
336x44 Shared50100449
346x48 Shared10066.6667447
356x59 Shared10066.6667444
367x34 Shared5033.3333444
377x38 Shared5066.6667455
387x39 Shared5033.3333545
397x42 Shared100100457
407x53 Shared50100469
418x50 Shared1000748
428x53 Shared00447
43Lig Shared10010010160
441x33 ox2_on00144
451x43 ox2_on00246
461x50 ox2_on00349
471x60 ox2_on033.3333356
482x46 ox2_on066.6667249
492x50 ox2_on0100259
503x24 ox2_on00145
513x32 ox2_on033.3333357
52E2.K203 ox2_on00143
535x39 ox2_on5033.3333348
545x65 ox2_on033.3333248
556x41 ox2_on00248
566x51 ox2_on033.3333247
576x60 ox2_on00345
587x27 ox2_on033.3333361
597x49 ox2_on033.3333349
608x54 ox2_on500347
   
Orange: nodes, hubs and links specific of ox2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of ox2_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 ox2_off Recurrence ox2_on Recurrence ox2_off Hub1? ox2_on Hub1? ox2_off Hub2? ox2_on Hub2? ConSurf1 ConSurf2
12x66 NT.Y42 ox2_off29.940YesNoYesNo54
22x66 E1x49 ox2_off14.26792.4568YesNoYesNo55
3NT.E46 NT.Y42 ox2_off19.02390NoNoYesNo74
4NT.E46 NT.K51 ox2_off16.8240NoNoYesNo74
51x39 2x60 ox2_off15.01310YesYesYesNo77
62x60 Lig ox2_off20.65379.09851YesNoYesYes70
73x28 3x29 ox2_off59.42295.31805NoNoNoNo55
83x28 E1x50 ox2_off57.73070NoNoYesYes57
9E1x50 E1x52 ox2_off53.8034.93365YesYesNoNo76
102x62 E1x52 ox2_off52.05440NoNoNoNo46
112x62 2x66 ox2_off51.30031.23007NoNoYesNo45
123x32 Lig ox2_off19.73348.30297NoYesYesYes70
131x39 7x39 ox2_off14.27988.9414YesYesYesYes75
141x53 8x50 ox2_off11.17150NoNoYesYes98
157x53 8x50 ox2_off51.58530YesYesYesYes98
163x36 6x48 ox2_off99.97920NoNoYesYes67
173x36 Lig ox2_off1001.23341NoNoYesYes60
188x50 8x54 ox2_off16.42320YesYesNoYes87
191x57 2x44 ox2_off10.09681.16322NoNoNoNo76
201x57 8x50 ox2_off11.04380NoNoYesYes78
212x551 2x56 ox2_off11.24870YesNoNoNo57
222x56 3x32 ox2_off15.58311.90861NoNoNoYes77
238x53 I1x50 ox2_off10.55995.50857YesYesYesYes78
243x49 3x50 ox2_off16.52420NoNoNoNo99
252x39 3x50 ox2_off20.58840NoNoNoNo89
262x39 6x37 ox2_off22.61010NoNoYesNo88
273x46 6x37 ox2_off63.46630NoNoYesNo88
282x42 3x42 ox2_off35.51830YesYesNoNo87
292x45 3x42 ox2_off36.40018.29629NoNoNoNo97
302x45 4x50 ox2_off73.41765.22111NoNoNoNo99
313x38 4x50 ox2_off74.17773.4696NoNoNoNo79
323x38 4x49 ox2_off76.4220.681887NoNoNoNo76
333x41 4x49 ox2_off77.15831.87519NoNoNoNo66
343x41 5x50 ox2_off78.6130NoNoNoNo69
353x40 6x44 ox2_off80.75056.52472NoNoYesYes89
362x42 4x46 ox2_off35.37291.89524YesYesNoNo88
372x45 4x46 ox2_off36.25461.92867NoNoNoNo98
383x49 I2.S164 ox2_off10.34325.11749NoNoNoNo95
39E2.R213 E2x51 ox2_off12.98240NoNoNoNo45
406x59 E2x51 ox2_off14.97451.05291YesYesNoNo45
414x61 E2x52 ox2_off17.23670YesNoYesYes64
424x61 Lig ox2_off28.36660YesNoYesYes60
435x58 6x37 ox2_off38.62078.05562YesYesYesNo98
443x47 5x58 ox2_off26.66551.08634NoNoYesYes89
453x51 5x57 ox2_off22.6281.2401YesYesNoNo85
463x47 5x57 ox2_off24.64970NoNoNoNo85
475x65 5x66 ox2_off10.92510NoYesYesNo85
485x66 6x35 ox2_off29.09990YesNoNoNo58
496x35 7x56 ox2_off32.01220NoNoNoNo87
506x36 7x56 ox2_off32.65354.49911NoNoNoNo87
516x36 7x53 ox2_off33.57970NoNoYesYes89
525x66 6x31 ox2_off16.19178.38654YesNoNoNo55
536x47 7x45 ox2_off15.16151.10639NoNoYesNo89
547x39 7x40 ox2_off14.39850YesYesNoNo58
556x47 7x40 ox2_off14.27380NoNoNoNo88
566x44 7x45 ox2_off32.1310YesYesYesNo99
573x29 Lig Shared61.02621.6499NoNoYesYes50
587x49 7x53 Shared76.125222.0443NoYesYesYes99
597x45 7x49 Shared80.406154.7415YesNoNoYes99
606x48 7x45 Shared48.628455.7108YesYesYesNo79
618x50 I1x50 Shared14.929917.9129YesYesYesYes88
622x42 3x46 Shared65.223826.5434YesYesNoNo88
633x40 5x50 Shared80.043920.0421NoNoNoNo89
646x44 6x48 Shared51.383436.2904YesYesYesYes97
657x38 Lig Shared10.824112.5648YesYesYesYes50
665x43 Lig Shared10.310517.6388YesNoYesYes50
674x61 5x39 Shared11.435711.7592YesNoNoYes68
685x47 6x49 Shared14.778517.9129YesYesNoNo86
696x49 6x50 Shared15.87420.0321NoNoNoNo69
706x50 7x37 Shared16.963523.1607NoNoNoNo96
716x51 7x37 Shared18.047124.1903NoYesNoNo76
726x51 Lig Shared19.124878.691NoYesYesYes70
731x39 7x42 ox2_on1.2795414.3564YesYesYesYes77
741x43 2x57 ox2_on8.564913.3536NoYesYesYes67
752x64 7x38 ox2_on1.9356410.3453NoNoYesYes55
766x51 7x38 ox2_on021.6566NoYesYesYes75
776x51 7x41 ox2_on0100NoYesNoNo77
786x48 7x41 ox2_on1.1696999.8997YesYesNoNo77
792x50 7x49 ox2_on043.5137NoYesNoYes99
801x50 2x50 ox2_on4.5095645.9571NoYesNoYes99
811x50 2x47 ox2_on3.3784642.3605NoYesNoNo99
821x53 2x47 ox2_on4.4917539.5728NoNoNoNo99
831x53 7x54 ox2_on038.6202NoNoNoNo97
847x54 8x50 ox2_on033.984NoNoYesYes78
857x55 8x50 ox2_on015.5597NoNoYesYes58
863x43 6x44 ox2_on3.5951827.212NoNoYesYes99
873x43 7x53 ox2_on015.5196NoNoYesYes99
883x46 7x53 ox2_on026.0721NoNoYesYes89
892x46 3x43 ox2_on2.4017311.5419NoYesNoNo99
907x27 Lig ox2_on026.8008NoYesYesYes10
917x27 E2.F207 ox2_on013.6979NoYesYesYes13
92E1x50 Lig ox2_on010.5392YesYesYesYes70
933x29 4x65 ox2_on1.1696916.8967NoNoNoNo56
944x65 E2x52 ox2_on016.0444NoNoYesYes64
953x33 Lig ox2_on9.0814626.9613YesNoYesYes60
963x33 4x57 ox2_on8.8320915.8004YesNoYesYes67
974x57 5x43 ox2_on8.1195814.6405YesYesYesNo75
983x33 4x61 ox2_on0.99750612.6116YesNoYesNo66
993x40 6x48 ox2_on014.6438NoNoYesYes87
1005x54 6x44 ox2_on021.4627NoNoYesYes89
1013x44 5x50 ox2_on017.7625NoNoNoNo79
1023x44 5x53 ox2_on2.0840816.6126NoNoNoNo77
1033x48 5x53 ox2_on015.4561NoNoNoNo67
1043x48 3x52 ox2_on2.0840814.2929NoNoYesYes64
1052x42 4x42 ox2_on010.1848YesYesNoNo87
1065x44 5x47 ox2_on9.1883413.5542YesYesYesYes68
1075x54 6x41 ox2_on6.2403513.2266NoNoNoYes88
1086x38 6x41 ox2_on015.3157NoNoNoYes68
1095x62 6x38 ox2_on011.8027NoNoNoNo66
1104x56 4x57 ox2_on6.4006615.3458NoNoYesYes57
1117x38 7x42 ox2_on022.4989YesYesYesYes57
1122x57 7x42 ox2_on7.433815.4762YesYesYesYes77

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
7x27NT.H49ox2_off5.0800212
1x392x60ox2_off4.3701221
1x397x42Shared4.9655.623331222
2x5512x56ox2_off5.0700022
2x563x32Shared6.17.630021
2x59E1x52ox2_off3.46500022
2x602x64ox2_off4.3401212
2x607x38Shared4.115.021211
2x607x42Shared10.6158.323331212
2x60LigShared8.7855.426671210
2x647x38Shared6.935.041021
2x677x27Shared3.495.040221
E1x50E1x52Shared17.0413.02677212
3x25E1x50Shared7.186.533337221
3x28E1x50ox2_off4.1100021
E1x50E2x50Shared7.83516.10677212
3x25E2x50Shared7.286.673337222
3x283x29Shared3.393.390021
3x294x65Shared7.553.913330012
3x29LigShared15.235.996670010
3x327x42ox2_off5.07500012
3x32LigShared17.8615.990010
3x334x57Shared9.039.533331012
3x334x61Shared5.676.141011
3x335x43ox2_off5.1901011
3x33LigShared4.8554.016671010
3x366x48ox2_off7.5700012
3x36LigShared6.4110.18670010
4x575x43Shared4.984.151021
4x61E2x52ox2_off10.19501012
4x615x39Shared9.5856.386671012
4x61Ligox2_off5.6901010
5x40E2x52Shared9.856.156671322
5x435x461Shared14.278.646671012
5x43LigShared14.874.826671010
6x487x41Shared7.576.306679122
6x517x37Shared6.193.613330212
6x51LigShared11.4255.706670210
6x547x34Shared10.3554.870021
6x55LigShared11.2857.773330010
6x587x34Shared6.8255.373330021
7x30E3.F333Shared9.8357.863330022
7x277x31Shared12.3454.116670211
7x347x38ox2_off3.3900011
7x38LigShared16.128.453331210
5x406x55ox2_off5.101321
E2.F207E2.V209ox2_off3.27503021
7x34E3.F333ox2_off3.21500012
3x21E1x50Shared2.810.940021
2x63E1x50ox2_off2.4500011
7x30E3.T336ox2_off0.79500022
E3.A334E3.H335Shared0.731.463330012
2x567x42ox2_on05.823330022
2x63Ligox2_on04.283330010
2x677x31ox2_on08.603330221
E1x50Ligox2_on05.023337210
3x283x32ox2_on04.576670021
4x65E2x52ox2_on05.413330022
7x27E2.K203ox2_on06.186670212
7x27E2.F207ox2_on04.276670212
5x395x40ox2_on05.806670022
6x517x38ox2_on07.070211
6x517x41ox2_on03.073330212
7x31Ligox2_on07.890210
7x387x42ox2_on03.631212
7x27Ligox2_on06.016670210
7x34Ligox2_on03.146670010
7x307x34ox2_on02.620021
7x27E3.T336ox2_on02.583330212
E2.V209Ligox2_on02.113330010
2x5513x32ox2_on01.886670021
2x593x32ox2_on01.520021
E3.A334Ligox2_on00.520010

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
ox2_off 6TPN-OX2-HTL6641
7XRR-OX2-Lemborexant
ox2_on 7L1V-OX2-PubChem 155491009-chim(NtGi1-Gs-CtGq)/&β;1/&γ;2
7L1U-OX2-Orexin-chim(NtGi1-Gs-CtGq)/&β;1/&γ;2
7SR8-OX2-TAK-925-chim(NtGi1L-Gs-CtGq)/&β;1/&γ;2
Network Difference
Value ox2_off ox2_on
Imin 3.365 3.05
Number of Linked Nodes 316 288
Number of Specific Nodes 42 (13.29%) 14  (4.86%)
Number of Shared Nodes 274 (86.71%) 274  (95.14%)
Number of Links 343 318
Number of Specific Links 167 (48.69%) 142  (44.65%)
Number of Shared Links 176 (51.31%) 176  (55.35%)
Number of Hubs 43 42
Number of Specific Hubs 18 (41.86%) 17  (40.48%)
Number of Shared Hubs 25 (58.14%) 25  (59.52%)
Average % Shared Neighbours (Jaccard) 36.26
Average % Shared Neighbours (Otsuka) 45.59
Average % Shared Neighbours (Overlap Coefficient) 55.26
Average % Shared Cliques (k3-6) 80.30
Graphlets Similarity 0.613142
Paths Difference
Value ox2_off ox2_on
Number Of Nodes in MetaPath 71 54
Specific Nodes in MetaPath 45 (63.38%) 28  (51.85%)
Shared Nodes in MetaPath 274 (86.71%) 274  (86.71%)
Number Of Links MetaPath 72 56
Specific Links in MetaPath 56 (77.78%) 40  (71.43%)
Shared Links in MetaPath 176 (51.31%) 176  (51.31%)
Number of Shortest Paths 73160 57601
Length Of Smallest Path 3 3
Average Path Length 16.4989 12.5935
Length of Longest Path 37 28
Minimum Path Strength 0.7425 0.513333
Average Path Strength 6.71093 5.30312
Maximum Path Strength 20.9225 20.0867
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.924465 0.921934
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.125 4.16667
Average % Of Corr. Nodes 44.2464 49.3482
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 38.3685 45.4323
Maximum Path Hubs % 100 100

Details about the values in these tables can be found in the corresponding documentation page .

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