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.K51 ox2_off00414
21x31 ox2_off00414
31x52 ox2_off00426
42x53 ox2_off00437
52x551 ox2_off00415
62x60 ox2_off1000537
72x66 ox2_off500435
83x50 ox2_off500439
93x52 ox2_off250434
103x56 ox2_off1000536
11I2x53 ox2_off00407
124x56 ox2_off00435
134x57 ox2_off2533.3333437
14E2.F197 ox2_off00432
15E2.F207 ox2_off00533
165x40 ox2_off500436
175x43 ox2_off1000535
185x66 ox2_off250525
196x37 ox2_off00428
207x27 ox2_off250421
217x40 ox2_off500428
227x45 ox2_off250439
235x71 ox2_off250500
241x39 Shared10066.6667657
25I1x50 Shared7533.3333448
262x42 Shared10066.6667558
272x56 Shared750447
282x57 Shared10066.6667447
29E1x50 Shared10066.6667647
303x32 Shared500447
313x51 Shared100100568
324x61 Shared10033.3333446
33E2x52 Shared100100564
34E2.W214 Shared10066.6667664
355x39 Shared7533.3333558
365x44 Shared2533.3333446
375x47 Shared5066.6667448
385x58 Shared75100469
396x44 Shared25100459
406x48 Shared10066.6667447
416x59 Shared10033.3333444
427x34 Shared5033.3333444
437x38 Shared7566.6667445
447x39 Shared500555
457x42 Shared100100667
467x53 Shared75100459
478x50 Shared10033.3333548
488x54 Shared250457
49Lig Shared1001009170
501x50 ox2_on033.3333349
511x60 ox2_on00356
522x46 ox2_on033.3333249
532x50 ox2_on066.6667259
543x24 ox2_on00145
553x30 ox2_on250356
563x43 ox2_on033.3333249
576x38 ox2_on00146
586x41 ox2_on00148
596x51 ox2_on033.3333347
606x60 ox2_on00345
61E3.F333 ox2_on7533.3333344
627x49 ox2_on033.3333349
   
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
1NT.F39 NT.Y42 ox2_off11.4210NoNoNoNo54
2NT.E46 NT.Y42 ox2_off22.87420NoNoNoNo74
3NT.E46 NT.K51 ox2_off20.3590NoNoYesNo74
42x67 NT.K51 ox2_off12.40290NoNoYesNo44
51x39 2x60 ox2_off28.25060YesYesYesNo77
63x28 E1x50 ox2_off69.3710NoNoYesYes57
72x62 E1x52 ox2_off55.97810NoNoNoNo46
82x62 2x66 ox2_off55.02432.7137NoNoYesNo45
92x66 NT.Y42 ox2_off34.56880YesNoNoNo54
101x53 8x54 ox2_off13.84760NoNoYesYes97
118x50 8x54 ox2_off40.58110YesYesYesYes87
127x53 8x50 ox2_off65.31850YesYesYesYes98
137x49 7x53 ox2_off95.11850NoYesYesYes99
147x45 7x49 ox2_off1008.08845YesNoNoYes99
153x36 6x48 ox2_off88.83660NoNoYesYes67
163x36 Lig ox2_off89.27121.79956NoNoYesYes60
171x58 2x44 ox2_off13.92010NoNoNoNo36
181x57 2x44 ox2_off15.26822.17766NoNoNoNo76
191x57 I1x50 ox2_off16.60834.37446NoNoYesYes78
202x551 2x56 ox2_off14.4031.63205YesNoYesYes57
212x39 6x37 ox2_off10.74490NoNoYesNo88
223x46 6x37 ox2_off40.85480NoNoYesNo88
232x42 3x42 ox2_off44.60140YesYesNoNo87
243x42 4x49 ox2_off45.24130NoNoNoNo76
253x38 4x49 ox2_off47.3580NoNoNoNo76
263x38 4x53 ox2_off53.23765.12587NoNoNoNo78
273x37 4x53 ox2_off54.26382.56533NoNoNoNo78
283x37 4x56 ox2_off55.28190NoNoYesNo75
294x57 5x43 ox2_off62.53377.58591YesNoYesNo75
305x43 Lig ox2_off75.25868.95472YesNoYesYes50
312x66 E1x49 ox2_off10.63228.12195YesNoNoNo55
323x55 5x61 ox2_off21.00290NoNoNoNo79
335x66 6x35 ox2_off36.77410YesNoNoNo58
346x35 7x56 ox2_off42.51680NoNoNoNo87
356x36 7x56 ox2_off43.18486.25538NoNoNoNo87
366x36 7x53 ox2_off44.29150NoNoYesYes89
375x39 5x43 ox2_off18.74920YesYesYesNo85
385x39 E2.W214 ox2_off16.12548.13152YesYesYesYes84
39E1x51 NT.E38 ox2_off10.33440NoNoNoNo40
402x66 E1x51 ox2_off11.45720YesNoNoNo54
415x35 E2.W214 ox2_off10.07692.9195NoNoYesYes34
425x47 6x49 ox2_off17.94047.31789YesYesNoNo86
436x49 6x50 ox2_off19.26444.37925NoNoNoNo69
446x50 7x40 ox2_off20.58034.42232NoNoYesNo98
457x39 7x40 ox2_off24.3310YesYesYesNo58
466x27 6x31 ox2_off17.83985.52312NoNoNoNo45
476x47 7x45 ox2_off17.65461.71341NoNoYesNo89
486x54 7x34 ox2_off11.39281.58419NoNoYesYes54
497x34 7x38 ox2_off19.67080YesYesYesYes45
508x61 8x62 ox2_off10.33040NoNoNoNo31
518x58 8x62 ox2_off11.69460NoNoNoNo51
521x52 8x58 ox2_off13.04680YesNoNoNo65
531x52 8x54 ox2_off18.19796.55691YesNoYesYes67
54NT.F39 NT.L43 ox2_off10.22580NoNoNoNo58
556x47 7x40 ox2_off16.73710NoNoYesNo88
562x60 Lig Shared33.256910.6251YesNoYesYes70
573x29 Lig Shared73.379221.1448NoNoYesYes50
583x28 3x29 Shared71.439522.3461NoNoNoNo55
59E1x50 E1x52 Shared58.219624.117YesYesNoNo76
603x32 Lig Shared21.505939.7722YesYesYesYes70
611x39 7x39 Shared27.260715.7174YesYesYesYes75
626x48 7x45 Shared83.504410.0029YesYesYesNo79
638x50 I1x50 Shared25.763627.9123YesYesYesYes88
642x56 3x32 Shared13.187754.5276YesYesYesYes77
652x42 3x46 Shared41.804524.5812YesYesNoNo88
664x56 4x57 Shared59.27413.0947YesNoYesNo57
677x38 Lig Shared18.974610.8309YesYesYesYes50
683x25 E1x50 Shared10.052716.1338NoNoYesYes97
694x61 Lig Shared27.031348.5881YesYesYesYes60
705x58 6x37 Shared29.514311.6876YesYesYesNo98
713x51 3x55 Shared19.723111.2329YesYesNoNo87
725x58 5x61 Shared22.274555.5327YesYesNoNo99
734x60 5x39 Shared14.773212.1279NoNoYesYes68
744x61 5x39 Shared14.415123.222YesYesYesYes68
754x61 E2x52 Shared11.91625.3996YesYesYesYes64
765x44 5x47 Shared11.167523.7149YesYesYesYes68
775x66 6x31 Shared27.264712.8793YesNoNoNo55
784x59 4x60 Shared12.330510.448NoNoNoNo56
791x35 7x35 ox2_on011.7211NoNoNoNo54
801x39 7x35 ox2_on014.9469YesYesNoNo74
811x39 7x42 ox2_on2.334133.6365YesYesYesYes77
821x43 2x57 ox2_on8.9178614.43NoNoYesYes67
832x56 7x42 ox2_on2.5192231.387YesYesYesYes77
842x53 2x56 ox2_on0.084510445.793YesNoYesYes77
852x53 7x46 ox2_on046.8268YesNoNoNo79
862x50 7x46 ox2_on2.8089747.6213NoYesNoNo99
871x50 2x50 ox2_on5.6139187.0681NoYesNoYes99
881x50 2x47 ox2_on4.205479.8315NoYesNoNo99
891x53 2x47 ox2_on5.5897674.2797NoNoNoNo99
901x53 7x54 ox2_on072.3988NoNoNoNo97
917x54 8x50 ox2_on063.2287NoNoYesYes78
921x60 I1x50 ox2_on7.0586317.2968NoYesYesYes68
931x60 8x57 ox2_on010.9314NoYesNoNo66
947x41 7x42 ox2_on034.0289NoNoYesYes77
956x48 7x41 ox2_on1.56546100YesYesNoNo77
966x44 6x48 ox2_on6.5032886.6852YesYesYesYes97
973x43 6x44 ox2_on4.4991864.7171NoYesYesYes99
983x43 7x53 ox2_on050.9524NoYesYesYes99
993x46 7x53 ox2_on023.8729NoNoYesYes89
1002x46 2x50 ox2_on040.8778NoYesNoYes99
1012x46 3x42 ox2_on020.2881NoYesNoNo97
1022x45 3x42 ox2_on0.47486817.785NoNoNoNo97
1032x46 3x43 ox2_on3.0061642.8592NoYesNoYes99
1042x45 4x50 ox2_on3.046412.7501NoNoNoNo99
1052x60 7x42 ox2_on6.2618211.1515YesNoYesYes77
1067x38 7x42 ox2_on011.6014YesYesYesYes57
1073x28 3x32 ox2_on051.6464NoNoYesYes57
1083x24 3x28 ox2_on1.4608270.6662NoYesNoNo55
1093x24 E1x52 ox2_on063.2861NoYesNoNo56
110E1x51 E1x52 ox2_on038.0636NoNoNoNo46
111E1x49 E1x51 ox2_on0.22938535.4887NoNoNoNo54
112E1x49 E2.F207 ox2_on9.4490725.0838NoNoYesNo53
1133x38 4x50 ox2_on4.8734410.2182NoNoNoNo79
1143x40 5x50 ox2_on3.0061610.7639NoNoNoNo89
1153x50 7x53 ox2_on018.9289YesNoYesYes99
1165x54 6x44 ox2_on078.7595NoNoYesYes89
1175x54 5x58 ox2_on050.1101NoNoYesYes89
1183x50 5x58 ox2_on021.164YesNoYesYes99
1193x51 5x61 ox2_on051.3018YesYesNoNo89
1203x51 3x52 ox2_on6.5797424.1265YesYesYesNo84
1213x52 4x41 ox2_on019.2687YesNoNoNo47
1224x38 4x41 ox2_on2.7445817.4165NoNoNoNo57
1234x38 4x40 ox2_on014.9564NoNoNoNo55
1244x40 4x44 ox2_on012.4868NoNoNoNo53
1254x43 4x44 ox2_on1.424610.0077NoNoNoNo43
1263x25 E2.C193 ox2_on8.6643313.4919NoNoNoNo94
1273x22 E2.C193 ox2_on7.2397310.8117NoNoNoNo44
128E2.F207 E2.T208 ox2_on020.6231YesNoNoNo33
129E2.T195 E2.T208 ox2_on6.4187717.9573NoNoNoNo23
130E2.L206 E2.T195 ox2_on015.7126NoNoNoNo42
131E2.F197 E2.L206 ox2_on1.2435113.468YesNoNoNo24
1326x59 E2x52 ox2_on3.030314.3486YesYesYesYes44
1335x44 6x56 ox2_on5.662214.0327YesYesNoNo66
1346x56 6x60 ox2_on4.2577212.0561NoNoNoYes65
1355x51 6x44 ox2_on035.2206NoNoYesYes69
1365x47 5x51 ox2_on4.2577231.7077YesYesNoNo86
1375x54 6x41 ox2_on1.3964327.2806NoNoNoYes88
1386x38 6x41 ox2_on027.5486NoYesNoYes68
1395x62 6x38 ox2_on018.2493NoNoNoYes66
1405x62 5x66 ox2_on1.424614.7889NoNoYesNo65
1417x55 8x50 ox2_on033.4259NoNoYesYes58
1427x51 7x55 ox2_on1.424612.7596NoNoNoNo65
1436x51 7x41 ox2_on1.9678966.9187NoYesNoNo77
1446x58 6x59 ox2_on1.9719112.0417NoNoYesYes34
1457x55 8x54 ox2_on019.0868NoNoYesYes57
1462x57 7x42 ox2_on7.964116.7943YesYesYesYes77
1472x50 7x49 ox2_on035.996NoYesNoYes99
1483x43 7x49 ox2_on033.6652NoYesNoYes99
1496x51 Lig ox2_on2.9659165.5738NoYesYesYes70

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
1x392x60ox2_off4.682501121
1x397x42Shared5.46254.31122
2x532x56Shared5.97753.413331022
2x533x32ox2_off3.9401021
2x537x42ox2_off3.4701022
2x563x32Shared6.17.121021
2x567x42Shared3.6956.271022
2x602x64ox2_off3.977501112
2x607x38Shared4.118.216671111
2x607x42Shared10.30257.073331112
2x60LigShared8.114.276671110
2x647x38ox2_off8.50501021
2x677x27ox2_off4.652502021
2x677x31Shared10.102511.22332021
3x28E1x50ox2_off4.40500022
3x294x65Shared8.38753.913330012
3x29LigShared14.053.863330010
3x327x42ox2_off7.047501012
3x32LigShared16.0815.29671010
3x334x57Shared9.7858.026671112
3x334x61Shared6.73256.141111
3x335x43ox2_off5.51501111
3x366x48ox2_off5.99500012
3x36LigShared4.8410.57330010
4x575x43Shared5.294.981021
4x61E2x52Shared7.9654.246670112
4x615x39Shared9.5853.756670112
4x61LigShared5.363.370110
5x40E2x52Shared9.54259.034122
5x395x40Shared6.5354.716670022
5x395x43ox2_off4.12500021
5x406x55ox2_off6.057504121
5x435x461Shared14.9153.891111
5x43LigShared11.60256.406671110
6x487x41Shared8.834.203337222
6x517x37Shared5.8054.130112
6x517x41Shared3.4553.586670112
6x51LigShared13.545.706670110
6x55LigShared11.269.913330010
7x277x31Shared8.7456.862111
7x347x38ox2_off3.957500121
7x38LigShared14.90757.786671110
3x283x29Shared3.393.953330021
E2.F207E2.V209ox2_off2.947500021
7x27NT.H49ox2_off2.5402112
2x63E1x50ox2_off2.4500012
7x27E3.T336ox2_off2.262502111
E3.A334E3.H335Shared0.3651.463330012
2x63Ligox2_on05.056670010
3x283x32ox2_on03.203330021
3x33Ligox2_on05.166671110
4x65E2x52ox2_on03.610022
6x517x38ox2_on05.303330111
7x31Ligox2_on07.892110
7x387x42ox2_on05.443331112
7x417x42ox2_on04.210022
5x461Ligox2_on03.183330110
7x27Ligox2_on06.016672110
E3.T336Ligox2_on02.283330010
E2.V209Ligox2_on02.113330010
2x593x32ox2_on02.023330021
7x26E3.T336ox2_on01.446670021
E2.S194E2.V209ox2_on01.080021
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 5WQC-OX2-EMPA
6TPN-OX2-HTL6641
7XRR-OX2-Lemborexant
6TPJ-OX2-Suvorexant
ox2_on 7L1V-OX2-PubChem 155491009-chim(NtGi1-Gs-CtGq)/β1/γ2
7SQO-OX2-TAK-925-Gi1/β1/γ2
7L1U-OX2-Orexin-chim(NtGi1-Gs-CtGq)/β1/γ2
Network Difference
Value ox2_off ox2_on
Imin 3.4025 3.18
Number of Linked Nodes 322 287
Number of Specific Nodes 40 (12.42%) 5  (1.74%)
Number of Shared Nodes 282 (87.58%) 282  (98.26%)
Number of Links 351 317
Number of Specific Links 169 (48.15%) 135  (42.59%)
Number of Shared Links 182 (51.85%) 182  (57.41%)
Number of Hubs 49 39
Number of Specific Hubs 23 (46.94%) 13  (33.33%)
Number of Shared Hubs 26 (53.06%) 26  (66.67%)
Average % Shared Neighbours (Jaccard) 39.07
Average % Shared Neighbours (Otsuka) 48.02
Average % Shared Neighbours (Overlap Coefficient) 56.98
Average % Shared Cliques (k3-6) 54.29
Graphlets Similarity 0.623329
Paths Difference
Value ox2_off ox2_on
Number Of Nodes in MetaPath 77 90
Specific Nodes in MetaPath 35 (45.45%) 48  (53.33%)
Shared Nodes in MetaPath 282 (87.58%) 282  (87.58%)
Number Of Links MetaPath 78 94
Specific Links in MetaPath 55 (70.51%) 71  (75.53%)
Shared Links in MetaPath 182 (51.85%) 182  (51.85%)
Number of Shortest Paths 61089 62790
Length Of Smallest Path 3 3
Average Path Length 15.0486 13.2706
Length of Longest Path 37 32
Minimum Path Strength 0.49 0.731667
Average Path Strength 5.97843 5.306
Maximum Path Strength 19.79 20.9667
Minimum Path Correlation 0.7025 0.7
Average Path Correlation 0.924255 0.923274
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 2.85714 3.33333
Average % Of Corr. Nodes 46.2346 46.1061
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 45.7495 46.7899
Maximum Path Hubs % 100 100

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

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