Orange: nodes, hubs and links specific of h1_on network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of h1_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 h1_on Avg Int. Strength h1_off Avg Int. Strength h1_on Num Of Links h1_off Num Of Links ConSurf
11x46 h1_on6.2957.49333429
22x38 h1_on3.410.9419
32x46 h1_on6.14.42444439
42x59 h1_on7.2356.14833428
52x60 h1_on8.356.27428
63x28 h1_on9.56.03222539
73x29 h1_on4.513.17333419
83x32 h1_on10.3958.08439
93x33 h1_on9.6189.61222539
103x45 h1_on3.93757.27667428
11I2x56 h1_on10.20756.02556438
124x50 h1_on4.7945.07889539
134x53 h1_on2.98755.33333419
14E2.F168 h1_on6.42251.66416
15E2.Q171 h1_on9.06754.01667412
16E2.V174 h1_on7.344.36412
17E2x50 h1_on6.3155.66111439
18E2x51 h1_on5.569.44833427
195x461 h1_on7.828.41778439
205x57 h1_on7.84257.05667437
215x62 h1_on3.0254.695428
226x29 h1_on8.8850.826667418
236x52 h1_on9.5933315.8278639
247x53 h1_on5.5545.86333539
258x50 h1_on5.0556.12667439
262x42 Shared6.373335.95429678
272x50 Shared7.5566.12833549
282x57 Shared5.133335.064659
29E1x50 Shared7.943756.22722869
303x37 Shared7.0366.17549
313x51 Shared9.45756.9525449
324x57 Shared9.1057.404458
33E2.F184 Shared5.72258.89083449
345x39 Shared4.1925.84559
355x47 Shared11.39810.345549
365x54 Shared5.875.06333449
375x58 Shared5.94753.64833449
386x44 Shared6.13756.28667449
396x48 Shared7.451677.42833669
406x51 Shared8.6547.58111569
417x38 Shared6.3485.08417548
427x39 Shared4.997.02524779
437x42 Shared6.973756.11333869
448x54 Shared4.4655.01733459
45Lig Shared11.03759.216118120
462x56 h1_off7.136675.97583349
472x66 h1_off6.131.33083145
48I2x52 h1_off10.52675.0575345
49I2x53 h1_off5.863.7375149
50I2x57 h1_off4.2155.77867259
51E2.W165 h1_off3.846675.23167369
526x31 h1_off03.18667047
537x34 h1_off6.636.0675147
547x45 h1_off10.255.94667359
   
Orange: nodes, hubs and links specific of h1_on network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of h1_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 h1_on Recurrence h1_off Recurrence h1_on Hub1? h1_off Hub1? h1_on Hub2? h1_off Hub2? ConSurf1 ConSurf2
11x43 2x57 h1_on11.39526.84118NoNoYesYes99
22x53 7x42 h1_on51.72050NoNoYesYes99
31x47 2x54 h1_on18.34476.84118NoNoNoNo69
41x47 1x51 h1_on13.84660NoNoNoNo68
51x50 2x47 h1_on67.90610NoNoNoNo99
61x53 2x47 h1_on66.01699.47206NoNoNoNo99
71x53 7x54 h1_on64.11280NoNoNoNo99
87x54 8x50 h1_on60.52180NoNoYesNo99
97x42 Lig h1_on84.5940YesYesYesYes90
103x37 Lig h1_on45.97050YesYesYesYes90
113x37 4x53 h1_on56.15112.94765YesYesYesNo99
124x50 4x53 h1_on35.83480YesNoYesNo99
132x52 4x50 h1_on15.91570NoNoYesNo89
142x48 2x52 h1_on10.5930NoNoNoNo68
158x53 8x54 h1_on15.99820NoNoYesYes89
161x56 8x53 h1_on13.75679.1421NoNoNoNo98
171x56 8x57 h1_on11.50010NoNoNoNo98
182x37 2x40 h1_on26.17891.59701NoNoNoNo99
192x37 2x38 h1_on24.01230NoNoYesNo99
202x38 I2x57 h1_on15.1811.22305YesNoNoYes99
212x46 2x50 h1_on37.7390YesNoYesYes99
223x46 7x53 h1_on27.20590NoNoYesNo99
232x42 3x46 h1_on25.75161.59701YesYesNoNo89
242x45 4x50 h1_on27.35596.34844NoNoYesNo99
252x46 3x43 h1_on14.68630YesNoNoNo99
261x51 2x51 h1_on11.57512.59129NoNoNoNo88
272x60 3x28 h1_on35.74480YesNoYesNo89
282x60 7x42 h1_on25.62412.94765YesNoYesYes89
293x33 E2.F184 h1_on84.67650YesNoYesYes99
30E2.F168 E2.F184 h1_on93.50030YesNoYesYes69
31E2.F168 E2.Q170 h1_on74.68330YesNoNoNo65
32E2.Q170 E2.Q171 h1_on71.98440NoNoYesNo52
33E2.Q171 E2.V174 h1_on34.69530YesNoYesNo22
34E2.V174 E2x51 h1_on26.08140YesNoYesNo27
353x22 E2x51 h1_on46.46530NoNoYesNo57
36E2.Q171 E2.Y185 h1_on28.84020YesNoNoNo27
37E2.Y185 E2x51 h1_on26.15642.69248NoNoYesNo77
383x22 E2.D183 h1_on35.2050NoNoNoNo57
393x28 3x29 h1_on10.36060YesNoYesNo99
403x34 4x53 h1_on24.58210NoNoYesNo99
413x30 3x34 h1_on10.00820NoNoNoNo99
423x29 E2x52 h1_on14.34890YesNoNoNo99
433x36 Lig h1_on11.91240.818302NoNoYesYes90
443x33 4x57 h1_on17.97740.435548YesNoYesYes98
453x37 4x57 h1_on29.73999.26089YesYesYesYes98
463x36 6x48 h1_on16.06570.677519NoNoYesYes99
476x48 6x52 h1_on31.20170YesYesYesNo99
485x47 6x44 h1_on83.70940YesYesYesYes99
495x54 6x44 h1_on86.05590YesYesYesYes99
503x46 3x50 h1_on15.3910NoNoNoNo99
513x47 5x54 h1_on73.96362.20414NoNoYesYes89
523x47 5x57 h1_on34.1780NoNoYesNo87
533x47 5x58 h1_on45.36320NoNoYesYes89
543x51 3x55 h1_on11.59762.20414YesYesNoNo98
55I2x52 I2x57 h1_on13.21690NoYesNoYes59
562x42 4x42 h1_on13.48684.75143YesYesNoNo89
572x41 4x42 h1_on10.81793.18082NoNoNoNo89
583x34 4x54 h1_on12.47471.59701NoNoNoNo95
594x51 4x54 h1_on10.00820NoNoNoNo55
604x57 5x43 h1_on32.35620.8315YesYesNoNo88
614x60 5x39 h1_on14.34142.82006NoNoYesYes99
625x39 E2.F168 h1_on16.39550YesYesYesNo96
63E2.D183 E2.W165 h1_on29.381.27585NoNoNoYes79
64E2.N166 E2.W165 h1_on17.671.52662NoNoNoYes69
656x52 6x55 h1_on54.74170YesNoNoNo98
665x40 6x55 h1_on51.81051.92697NoNoNoNo98
675x40 6x58 h1_on33.90060NoNoNoNo96
686x58 7x30 h1_on25.06180NoNoNoNo66
695x40 6x59 h1_on15.77330NoNoNoNo98
705x48 6x53 h1_on20.12890NoNoNoNo87
715x62 6x37 h1_on39.30580YesNoNoNo89
725x62 5x66 h1_on30.89442.20414YesNoNoNo87
735x66 6x30 h1_on24.6870NoNoNoNo78
746x29 6x30 h1_on22.00310YesNoNoNo88
756x25 6x29 h1_on12.67710NoNoYesNo58
766x40 7x53 h1_on12.31731.56621NoNoYesNo99
777x52 7x53 h1_on12.64710NoNoYesNo99
786x49 6x53 h1_on17.35511.59261NoNoNoNo87
796x47 7x45 h1_on14.61131.49582NoNoNoYes99
807x30 E3.C444 h1_on12.64710NoNoNoNo65
815x39 5x42 h1_on14.94110YesYesNoNo97
823x33 6x51 h1_on37.78390YesNoYesYes99
836x51 6x52 h1_on51.05330YesYesYesNo99
845x461 6x52 h1_on18.97440YesNoYesNo99
853x50 5x58 h1_on15.2260NoNoYesYes99
863x43 7x53 h1_on12.70710NoNoYesNo99
873x37 5x461 h1_on17.49018.3106YesYesYesNo99
884x57 E2.F184 h1_on10.35310YesYesYesYes89
892x60 7x38 h1_on11.11030YesNoYesYes88
902x57 7x42 Shared42.057126.674YesYesYesYes99
912x53 7x46 Shared52.560226.4364NoNoNoNo99
922x50 7x46 Shared52.320326.41YesYesNoNo99
931x50 2x50 Shared75.163115.0418NoNoYesYes99
948x50 8x54 Shared26.943635.033YesNoYesYes99
958x50 I1x50 Shared30.024745.6269YesNoNoNo99
962x40 I1x50 Shared28.165547.9323NoNoNoNo99
972x46 7x53 Shared37.304154.0519YesNoYesNo99
982x45 4x46 Shared21.575852.1205NoNoNoNo99
992x42 4x46 Shared21.058548.2402YesYesNoNo89
1002x50 7x49 Shared13.351836.9688YesYesNoNo99
1013x33 Lig Shared68.355915.8293YesNoYesYes90
102E2.F184 E2x52 Shared16.035713.7527YesYesNoNo99
1036x51 7x38 Shared20.796213.3656YesYesYesYes98
1046x52 Lig Shared80.748228.8341YesNoYesYes90
1055x47 6x52 Shared10025.9481YesYesYesNo99
1063x44 5x54 Shared15.061129.4897NoNoYesYes89
1073x51 5x57 Shared25.83417.0656YesYesYesNo97
1085x39 5x43 Shared28.075630.4619YesYesNoNo98
1095x47 5x48 Shared28.472912.5253YesYesNoNo98
1105x58 6x37 Shared42.32723.0048YesYesNoNo99
1116x48 7x45 Shared42.694466.7708YesYesNoYes99
1127x39 7x42 Shared12.279839.2301YesYesYesYes99
1132x54 2x57 Shared20.301410.2508NoNoYesYes99
1143x28 E1x50 Shared20.728732.4593YesNoYesYes99
1157x45 7x49 Shared30.549584.4699NoYesNoNo99
1163x43 5x54 Shared27.948167.7519NoNoYesYes99
1172x46 7x49 Shared16.4855100YesNoNoNo99
1181x39 7x39 h1_off5.9599715.4509NoNoYesYes89
1192x56 7x42 h1_off1.5518415.4817NoYesYesYes99
1202x53 2x56 h1_off1.3119428.6274NoNoNoYes99
1211x50 7x50 h1_off6.9420510.1672NoNoNoNo99
1222x43 7x53 h1_off051.8038NoNoYesNo99
1232x40 2x43 h1_off050.5279NoNoNoNo99
1243x32 7x42 h1_off3.6884322.6661YesNoYesYes99
1253x32 Lig h1_off2.4064847.3647YesNoYesYes90
1266x48 Lig h1_off074.4215YesYesYesYes90
1277x38 7x42 h1_off2.7363438.7989YesYesYesYes89
1287x38 Lig h1_off027.6375YesYesYesYes80
1296x48 6x51 h1_off022.4593YesYesYesYes99
1301x53 8x54 h1_off011.0031NoNoYesYes99
1311x56 8x54 h1_off010.6775NoNoYesYes99
1322x46 3x42 h1_off059.6436YesNoNoNo98
1332x45 3x42 h1_off5.0378658.4118NoNoNoNo98
1342x56 3x28 h1_off035.9569NoYesYesNo99
1352x63 E1x50 h1_off0.21740811.1703NoNoYesYes79
1361x35 1x39 h1_off3.1486612.5913NoNoNoNo98
137E1x50 E1x52 h1_off9.9107916.2121YesYesNoNo99
1383x33 E2x52 h1_off014.8482YesNoNoNo99
1394x61 E2.F184 h1_off024.7514NoNoYesYes99
1403x30 4x61 h1_off022.3317NoNoNoNo99
1413x30 4x58 h1_off7.526819.6216NoNoNoNo95
1424x58 4x62 h1_off5.0303616.7136NoNoNoNo57
1433x26 4x62 h1_off2.5189313.8011NoNoNoNo87
1443x22 3x26 h1_off011.2978NoNoNoNo58
1455x43 Lig h1_off030.7215NoNoYesYes80
1465x39 E2.F184 h1_off013.8099YesYesYesYes99
1473x37 3x41 h1_off1.3194411.751YesYesNoNo98
1483x40 Lig h1_off027.6023NoNoYesYes90
1493x40 6x44 h1_off3.1786526.6344NoNoYesYes99
1506x44 6x48 h1_off030.1672YesYesYesYes99
1513x43 6x44 h1_off069.6612NoNoYesYes99
1523x44 3x48 h1_off025.363NoNoNoNo86
1533x48 5x57 h1_off2.9237623.3128NoNoYesNo67
1543x51 5x61 h1_off8.7412910.9107YesYesNoNo99
1552x42 3x49 h1_off5.2627637.4747YesYesNoNo89
1563x49 I2x57 h1_off018.7813NoNoNoYes99
1573x52 I2x57 h1_off015.0682NoNoNoYes89
1583x49 I2x53 h1_off017.6067NoNoNoYes99
1593x52 I2x53 h1_off015.0374NoNoNoYes89
1605x54 6x41 h1_off035.3806YesYesNoNo99
1615x58 6x41 h1_off9.4834731.2758YesYesNoNo99
1628x47 8x50 h1_off010.7039NoNoYesNo99
1636x54 7x34 h1_off015.7633NoNoNoYes77
1647x54 8x54 h1_off012.2305NoNoYesYes99
1653x52 I2x52 h1_off2.0391327.1535NoNoNoYes85
166I2x52 I2x56 h1_off8.9137115.1694NoYesYesNo58
1673x50 6x37 h1_off020.9283NoNoNoNo99
1683x50 6x34 h1_off017.7211NoNoNoNo99
1695x65 6x34 h1_off015.6621NoNoNoNo99
1705x65 6x31 h1_off014.0915NoNoNoYes97
1712x62 E1x52 h1_off014.8438NoNoNoNo69
1722x62 2x66 h1_off013.6912NoNoNoYes65
1737x54 8x51 h1_off010.6907NoNoNoNo98
1747x35 7x39 h1_off011.8038NoNoYesYes69
1752x56 3x32 h1_off2.3090223.9067NoYesYesNo99
1766x44 7x45 h1_off019.3709YesYesNoYes99
1776x51 7x34 h1_off011.5662YesYesNoYes97

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
2x532x56Shared3.743333.210122
2x563x32Shared7.313.151121
2x567x42Shared6.735.051121
2x577x39Shared5.044.651122
2x577x42Shared6.783333.591121
2x607x39Shared8.663333.391122
2x607x42Shared3.8766711.631121
3x327x42Shared5.3666713.791111
3x32LigShared11.573310.221110
3x334x57Shared8.3615.431111
3x33E2x52h1_off4.5766701112
3x33LigShared15.919.861110
3x366x48Shared4.124.941111
3x36LigShared9.957.071110
3x373x41Shared4.756676.491112
3x374x53Shared5.333333.21112
3x374x57Shared7.289.71111
3x375x461Shared7.3110.241111
3x405x50h1_off6.2066700012
3x406x44Shared7.953333.770012
3x40Ligh1_off4.5900010
4x575x43Shared7.683337.281111
4x575x461h1_off9.0401111
4x57Ligh1_off4.6566701110
E2.F184E2x52Shared14.69675.191122
5x39E2.F184h1_off12.503301022
5x395x43Shared3.893337.781021
5x43Ligh1_off3.6266701010
5x461LigShared8.903337.751110
5x476x52Shared27.866723.580121
6x446x48h1_off6.0133301121
6x447x45h1_off7.2466701122
6x486x51h1_off7.3966701111
6x487x41Shared11.268.441112
6x487x45Shared3.766679.041112
6x48Ligh1_off12.013301110
6x516x55h1_off10.6601111
6x517x34h1_off4.7166701112
6x517x37Shared6.243334.991112
6x517x38Shared5.244.841111
6x51LigShared11.2324.271110
6x52LigShared16.84679.170110
6x55Ligh1_off6.3066701010
7x347x38Shared4.866.631021
7x387x42Shared5.249.671111
7x38Ligh1_off4.9966701110
7x397x42Shared8.683333.861121
5x406x55Shared7.0333317.370021
4x61E2.F184h1_off3.3500022
5x446x52h1_off2.7700021
2x537x42h1_on03.790121
2x607x38h1_on07.081121
3x323x36h1_on04.421111
3x334x61h1_on03.631112
3x33E2.F184h1_on06.191112
3x336x51h1_on02.981111
3x37Ligh1_on05.551110
3x406x48h1_on015.270011
3x415x461h1_on07.250121
4x57E2.F184h1_on04.011112
5x4616x52h1_on06.041111
5x476x44h1_on04.290122
5x476x48h1_on03.010121
6x486x52h1_on04.011111
6x516x52h1_on06.191111
6x526x55h1_on08.570111
7x387x39h1_on03.521112
7x42Ligh1_on04.411110

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
h1_off 8X63-H1-Mepyramine
3RZE-H1-Cidoxepin
8X5Y-H1-Astemizole
h1_on 7DFL-H1-Histamine-chim(NtGi1L-Gq)/β1/γ2
Network Difference
Value h1_on h1_off
Imin 2.94 3.58
Number of Linked Nodes 251 275
Number of Specific Nodes 6 (2.39%) 30  (10.91%)
Number of Shared Nodes 245 (97.61%) 245  (89.09%)
Number of Links 299 295
Number of Specific Links 150 (50.17%) 146  (49.49%)
Number of Shared Links 149 (49.83%) 149  (50.51%)
Number of Hubs 45 29
Number of Specific Hubs 25 (55.56%) 9  (31.03%)
Number of Shared Hubs 20 (44.44%) 20  (68.97%)
Average % Shared Neighbours (Jaccard) 32.99
Average % Shared Neighbours (Otsuka) 43.02
Average % Shared Neighbours (Overlap Coefficient) 52.61
Average % Shared Cliques (k3-6) 52.60
Graphlets Similarity 0.587216
Paths Difference
Value h1_on h1_off
Number Of Nodes in MetaPath 103 82
Specific Nodes in MetaPath 53 (51.46%) 32  (39.02%)
Shared Nodes in MetaPath 245 (97.61%) 245  (97.61%)
Number Of Links MetaPath 117 88
Specific Links in MetaPath 89 (76.07%) 60  (68.18%)
Shared Links in MetaPath 149 (49.83%) 149  (49.83%)
Number of Shortest Paths 51809 56529
Length Of Smallest Path 3 3
Average Path Length 12.4035 13.657
Length of Longest Path 31 28
Minimum Path Strength 1.365 0.413333
Average Path Strength 6.68642 5.98084
Maximum Path Strength 19.01 22.3567
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.9223 0.9098
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.16667 4
Average % Of Corr. Nodes 54.6218 42.8823
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 51.451 36.2269
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 h1_off_on.zip<



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