Orange: nodes, hubs and links specific of h1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of h1_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 h1_off Avg Int. Strength h1_on Avg Int. Strength h1_off Num Of Links h1_on Num Of Links ConSurf
1I1x50 h1_off3.903756.4429
22x56 h1_off6.069387.13667439
3I2x52 h1_off4.2431210.5267435
4E2.W165 h1_off5.050713.84667739
56x31 h1_off2.716880407
67x34 h1_off5.56256.63417
77x45 h1_off6.697510.25439
82x42 Shared5.475716.37333768
92x57 Shared4.056255.13333669
10E1x50 Shared4.670427.94375689
113x33 Shared9.353129.47459
123x37 Shared6.0056.994459
133x51 Shared6.866879.4575449
14I2x56 Shared4.1381210.2075448
154x57 Shared6.77159.105548
165x39 Shared5.7974.192559
175x47 Shared10.990611.398459
185x54 Shared5.195.87449
195x58 Shared3.3355.9475449
206x44 Shared5.996876.1375449
216x48 Shared8.588757.45167469
226x51 Shared6.983218.472759
236x52 Shared12.95879.53667469
247x38 Shared4.758136.348458
257x39 Shared7.659584.99679
267x42 Shared5.989176.95375689
278x54 Shared5.293134.465449
28Lig Shared9.1234610.6251380
291x46 h1_on7.196.295249
302x38 h1_on4.846253.4249
312x46 h1_on4.519176.1349
322x50 h1_on7.200837.556359
332x59 h1_on6.53257.235248
342x60 h1_on8.4758.35148
353x28 h1_on5.994179.5359
363x29 h1_on2.384.51149
373x32 h1_on8.4441710.3349
383x45 h1_on7.093.9375248
394x50 h1_on6.24.794259
404x53 h1_on5.62.9875149
41E2.F168 h1_on1.2456.4225140
42E2.Q171 h1_on3.01259.0675140
43E2.V174 h1_on3.277.34140
44E2x50 h1_on4.85256.315349
45E2x51 h1_on9.611255.56247
46E2.F184 h1_on10.26335.7225349
475x461 h1_on7.55257.7475349
485x57 h1_on6.825837.8425347
495x62 h1_on4.8653.025248
506x29 h1_on0.628.885148
517x53 h1_on6.394175.554359
528x50 h1_on5.941675.055349
   
Orange: nodes, hubs and links specific of h1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of h1_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 h1_off Recurrence h1_on Recurrence h1_off Hub1? h1_on Hub1? h1_off Hub2? h1_on Hub2? ConSurf1 ConSurf2
12x56 7x42 h1_off48.82661.55184YesNoYesYes99
22x53 2x56 h1_off44.28171.31194NoNoYesNo99
31x50 7x50 h1_off13.55386.94205NoNoNoNo99
41x49 7x50 h1_off11.31044.64053NoNoNoNo99
53x40 Lig h1_off71.45070NoNoYesYes90
63x40 6x44 h1_off70.23533.17865NoNoYesYes99
76x44 7x45 h1_off1000YesYesYesNo99
82x43 7x53 h1_off59.19320NoNoNoYes99
92x40 2x43 h1_off57.69010NoNoNoNo99
106x48 Lig h1_off70.08660YesYesYesYes90
116x44 6x48 h1_off83.24610YesYesYesYes99
121x53 8x54 h1_off12.03780NoNoYesYes99
131x60 I1x50 h1_off15.11510NoNoYesNo89
141x60 8x53 h1_off11.72740NoNoNoNo88
152x46 3x42 h1_off37.19940NoYesNoNo98
162x45 3x42 h1_off35.59935.03786NoNoNoNo98
172x42 3x49 h1_off12.49035.26276YesYesNoNo89
183x49 I2x57 h1_off11.09060NoNoNoNo99
192x53 3x35 h1_off11.31040NoNoNoNo98
202x56 3x28 h1_off49.42140YesNoNoYes99
212x63 E1x50 h1_off23.03470.217408NoNoYesYes79
22E1x50 E1x52 h1_off10.6099.91079YesYesNoNo99
233x33 4x61 h1_off17.68813.11867YesYesNoNo99
243x30 4x61 h1_off16.55350NoNoNoNo99
253x30 4x62 h1_off11.00340NoNoNoNo97
263x37 3x41 h1_off10.79331.31944YesYesNoNo98
273x43 6x44 h1_off72.45930NoNoYesYes99
283x44 3x48 h1_off52.23690NoNoNoNo86
293x48 5x57 h1_off32.66742.92376NoNoNoYes67
305x54 6x41 h1_off14.82420YesYesNoNo99
315x58 6x41 h1_off11.42689.48347YesYesNoNo99
323x48 3x52 h1_off19.52420NoNoNoNo68
333x52 I2x52 h1_off16.48562.03913NoNoYesNo85
345x43 Lig h1_off18.40570NoNoYesYes80
352x63 E2.K179 h1_off21.15330NoNoNoNo74
36E2.K179 E2.R176 h1_off19.26560NoNoNoNo41
375x45 5x48 h1_off15.93940NoNoNoNo78
383x51 5x61 h1_off22.85368.74129YesYesNoNo99
393x54 5x61 h1_off21.19545.83252NoNoNoNo99
403x54 5x64 h1_off19.53062.91626NoNoNoNo96
415x64 5x67 h1_off17.85950NoNoNoNo65
425x67 5x68 h1_off14.49770NoNoNoNo58
438x47 8x50 h1_off12.0410NoNoNoYes99
446x36 8x47 h1_off10.33750NoNoNoNo99
455x47 6x49 h1_off12.44180YesYesNoNo98
465x41 5x45 h1_off14.19383.17865NoNoNoNo87
475x41 6x59 h1_off12.44180NoNoNoNo88
487x54 8x54 h1_off10.02390NoNoYesYes99
495x68 6x31 h1_off12.80390NoNoYesNo87
502x56 3x32 h1_off43.80012.30902YesNoNoYes99
513x32 Lig h1_off44.71492.40648NoYesYesYes90
526x48 6x51 h1_off13.88670YesYesYesYes99
537x39 7x42 Shared17.843312.2798YesYesYesYes99
542x53 7x46 Shared31.267852.5602NoNoNoNo99
552x50 7x46 Shared29.076252.3203NoYesNoNo99
561x50 2x50 Shared22.462575.1631NoNoNoYes99
577x42 Lig Shared68.751684.594YesYesYesYes90
587x45 7x49 Shared96.033730.5495YesNoNoNo99
592x46 7x49 Shared94.698716.4855NoYesNoNo99
602x46 7x53 Shared61.882637.3041NoYesNoYes99
612x40 I1x50 Shared54.651528.1655NoNoYesNo99
628x50 I1x50 Shared37.794230.0247NoYesYesNo99
638x50 8x54 Shared24.802826.9436NoYesYesYes99
641x53 2x47 Shared10.343966.0169NoNoNoNo99
652x45 4x46 Shared30.760321.5758NoNoNoNo99
662x42 4x46 Shared22.565921.0585YesYesNoNo89
673x28 E1x50 Shared43.282920.7287NoYesYesYes99
683x33 Lig Shared20.225668.3559YesYesYesYes90
693x43 5x54 Shared71.014427.9481NoNoYesYes99
703x44 5x54 Shared55.288315.0611NoNoYesYes89
713x51 5x57 Shared27.731425.834YesYesNoYes97
725x39 5x43 Shared17.911228.0756YesYesNoNo98
736x52 Lig Shared31.073880.7482YesYesYesYes90
745x47 6x52 Shared38.0431100YesYesYesYes99
755x47 5x48 Shared19.41128.4729YesYesNoNo98
762x57 7x42 Shared10.731842.0571YesYesYesYes99
776x51 6x52 Shared10.082151.0533YesYesYesYes99
781x43 2x57 h1_on2.5310311.3952NoNoYesYes99
792x53 7x42 h1_on051.7205NoNoYesYes99
801x47 2x54 h1_on2.5310318.3447NoNoNoNo69
811x47 1x51 h1_on013.8466NoNoNoNo68
821x50 2x47 h1_on067.9061NoNoNoNo99
831x53 7x54 h1_on064.1128NoNoNoNo99
847x54 8x50 h1_on060.5218NoNoNoYes99
853x37 Lig h1_on045.9705YesYesYesYes90
863x37 4x53 h1_on2.7055956.1511YesYesNoYes99
874x50 4x53 h1_on035.8348NoYesNoYes99
882x52 4x50 h1_on015.9157NoNoNoYes89
892x48 2x52 h1_on010.593NoNoNoNo68
908x53 8x54 h1_on015.9982NoNoYesYes89
911x56 8x53 h1_on1.7390713.7567NoNoNoNo98
921x56 8x57 h1_on011.5001NoNoNoNo98
932x37 2x40 h1_on1.7390726.1789NoNoNoNo99
942x37 2x38 h1_on024.0123NoNoNoYes99
952x38 I2x57 h1_on8.0036215.181NoYesNoNo99
962x46 2x50 h1_on037.739NoYesNoYes99
973x46 7x53 h1_on027.2059NoNoNoYes99
982x42 3x46 h1_on1.7229125.7516YesYesNoNo89
992x45 4x50 h1_on3.4749227.3559NoNoNoYes99
1002x46 3x43 h1_on014.6863NoYesNoNo99
1012x50 7x49 h1_on013.3518NoYesNoNo99
1021x51 2x51 h1_on4.5416311.5751NoNoNoNo88
1032x60 3x28 h1_on035.7448NoYesNoYes89
1042x60 7x42 h1_on025.6241NoYesYesYes89
1053x33 E2.F184 h1_on084.6765YesYesNoYes99
106E2.F168 E2.F184 h1_on093.5003NoYesNoYes09
107E2.F168 E2.Q170 h1_on074.6833NoYesNoNo00
108E2.Q170 E2.Q171 h1_on071.9844NoNoNoYes00
109E2.Q171 E2.V174 h1_on034.6953NoYesNoYes00
110E2.V174 E2x51 h1_on026.0814NoYesNoYes07
1113x22 E2x51 h1_on046.4653NoNoNoYes57
112E2.Q171 E2.Y185 h1_on028.8402NoYesNoNo07
113E2.Y185 E2x51 h1_on6.1546426.1564NoNoNoYes77
1143x22 E2.D183 h1_on035.205NoNoNoNo57
1153x28 3x29 h1_on010.3606NoYesNoYes99
1163x34 4x53 h1_on024.5821NoNoNoYes99
1173x30 3x34 h1_on010.0082NoNoNoNo99
1183x29 E2x52 h1_on014.3489NoYesNoNo99
119E2.F184 E2x52 h1_on1.9200916.0357NoYesNoNo99
1203x36 Lig h1_on1.4319911.9124NoNoYesYes90
1213x33 4x57 h1_on0.65942617.9774YesYesYesYes98
1223x37 4x57 h1_on8.3753629.7399YesYesYesYes98
1236x51 7x38 h1_on0.92448920.7962YesYesYesYes98
1243x36 6x48 h1_on016.0657NoNoYesYes99
1256x48 6x52 h1_on031.2017YesYesYesYes99
1265x47 6x44 h1_on083.7094YesYesYesYes99
1275x54 6x44 h1_on086.0559YesYesYesYes99
1283x46 3x50 h1_on015.391NoNoNoNo99
1293x47 5x54 h1_on1.7390773.9636NoNoYesYes89
1303x47 5x57 h1_on034.178NoNoNoYes87
1313x47 5x58 h1_on045.3632NoNoYesYes89
1323x51 3x55 h1_on1.7390711.5976YesYesNoNo98
133I2x52 I2x57 h1_on013.2169YesNoNoNo59
1342x42 4x42 h1_on1.7293813.4868YesYesNoNo89
1352x41 4x42 h1_on010.8179NoNoNoNo89
1363x34 4x54 h1_on1.4449212.4747NoNoNoNo95
1374x51 4x54 h1_on010.0082NoNoNoNo55
1384x57 5x43 h1_on0.62710132.3562YesYesNoNo88
1394x60 5x39 h1_on2.7702414.3414NoNoYesYes99
1405x39 E2.F168 h1_on016.3955YesYesNoYes90
141E2.D183 E2.W165 h1_on1.1830929.38NoNoYesNo79
142E2.N166 E2.W165 h1_on1.4125917.67NoNoYesNo69
1436x52 6x55 h1_on054.7417YesYesNoNo98
1445x40 6x55 h1_on1.5936151.8105NoNoNoNo98
1455x40 6x58 h1_on033.9006NoNoNoNo96
1466x58 7x30 h1_on025.0618NoNoNoNo66
1475x40 6x59 h1_on015.7733NoNoNoNo98
1485x48 6x53 h1_on020.1289NoNoNoNo87
1495x58 6x37 h1_on4.5707342.327YesYesNoNo99
1505x62 6x37 h1_on039.3058NoYesNoNo89
1515x62 5x66 h1_on1.7390730.8944NoYesNoNo87
1525x66 6x30 h1_on024.687NoNoNoNo78
1536x29 6x30 h1_on022.0031NoYesNoNo88
1546x25 6x29 h1_on012.6771NoNoNoYes58
1556x40 7x53 h1_on1.7229112.3173NoNoNoYes99
1567x52 7x53 h1_on012.6471NoNoNoYes99
1576x49 6x53 h1_on1.7940317.3551NoNoNoNo87
1586x48 7x45 h1_on042.6944YesYesYesNo99
1596x47 7x45 h1_on1.7390714.6113NoNoYesNo99
1607x30 E3.C444 h1_on012.6471NoNoNoNo65
1615x39 5x42 h1_on014.9411YesYesNoNo97
1622x54 2x57 h1_on3.7884720.3014NoNoYesYes99
1633x33 6x51 h1_on037.7839YesYesYesYes99
1645x461 6x52 h1_on018.9744NoYesYesYes99
1653x50 5x58 h1_on015.226NoNoYesYes99
1663x43 7x53 h1_on012.7071NoNoNoYes99
1673x37 5x461 h1_on7.7741117.4901YesYesNoYes99
1684x57 E2.F184 h1_on010.3531YesYesNoYes89
1692x60 7x38 h1_on011.1103NoYesYesYes88

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
2x563x32Shared7.66513.151121
2x567x42Shared7.88755.051121
2x577x39Shared5.2354.651122
2x577x42Shared5.08753.591121
2x607x39Shared8.4753.390122
3x327x42Shared6.037513.791111
3x32LigShared11.639.841110
3x334x57Shared8.215.431111
3x33E2x52h1_off4.057501112
3x33LigShared20.92519.121110
3x36LigShared9.53256.80110
3x373x41Shared4.8656.491112
3x374x53Shared5.63.21112
3x374x57Shared6.9759.71111
3x375x461Shared6.5810.241111
3x405x50h1_off6.347500012
3x406x44Shared6.59253.770012
3x40Ligh1_off4.442500010
4x575x43Shared7.8857.281111
4x575x461h1_off6.7801111
4x57Ligh1_off4.017501110
E2.F184E2x52Shared12.96755.191122
5x39E2.F184h1_off12.057501022
5x395x43Shared3.56757.781021
5x406x55Shared8.377517.370021
5x43Ligh1_off3.822501010
5x461LigShared9.29757.461110
5x476x52Shared30.54523.580121
6x446x48h1_off6.26500121
6x447x45h1_off7.852500122
6x486x51h1_off5.787501111
6x487x41Shared9.85258.441112
6x48Ligh1_off12.4501110
6x516x52Shared3.356.191111
6x516x55h1_off9.027501111
6x517x37Shared6.86754.991112
6x517x38Shared5.144.841111
6x51LigShared12.4523.361110
6x52LigShared15.5158.831110
6x55Ligh1_off6.79501010
7x387x42Shared4.83759.671111
7x38Ligh1_off4.08501110
7x397x42Shared8.44253.861121
7x42LigShared3.64254.251110
3x334x61Shared4.233.631112
6x517x34h1_off6.2601112
7x347x38Shared4.976.631021
2x532x56Shared3.20753.210122
5x446x52h1_off2.42500021
2x537x42h1_on03.790121
2x607x38h1_on07.080121
2x607x42h1_on011.630121
3x323x36h1_on04.421111
3x33E2.F184h1_on06.191112
3x336x51h1_on02.981111
3x366x48h1_on04.940111
3x37Ligh1_on05.341110
3x406x48h1_on015.270011
3x415x461h1_on07.250121
4x57E2.F184h1_on04.011112
5x4616x52h1_on06.041111
5x476x44h1_on04.290122
5x476x48h1_on03.010121
6x486x52h1_on04.011111
6x487x45h1_on09.041112
6x526x55h1_on08.571111
7x387x39h1_on03.521112

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
h1_off 3RZE-H1-Cidoxepin
8X5Y-H1-Astemizole
8X63-H1-Mepyramine
8X64-H1-Desloratadine
h1_on 7DFL-H1-Histamine-chim(NtGi1L-Gq)/&β;1/&γ;2
Network Difference
Value h1_off h1_on
Imin 3.2675 2.94
Number of Linked Nodes 275 251
Number of Specific Nodes 30 (10.91%) 6  (2.39%)
Number of Shared Nodes 245 (89.09%) 245  (97.61%)
Number of Links 292 299
Number of Specific Links 147 (50.34%) 154  (51.51%)
Number of Shared Links 145 (49.66%) 145  (48.50%)
Number of Hubs 28 45
Number of Specific Hubs 7 (25.00%) 24  (53.33%)
Number of Shared Hubs 21 (75.00%) 21  (46.67%)
Average % Shared Neighbours (Jaccard) 31.37
Average % Shared Neighbours (Otsuka) 41.97
Average % Shared Neighbours (Overlap Coefficient) 52.71
Average % Shared Cliques (k3-6) 53.26
Graphlets Similarity 0.604362
Paths Difference
Value h1_off h1_on
Number Of Nodes in MetaPath 76 103
Specific Nodes in MetaPath 30 (39.47%) 57  (55.34%)
Shared Nodes in MetaPath 245 (89.09%) 245  (89.09%)
Number Of Links MetaPath 77 117
Specific Links in MetaPath 52 (67.53%) 92  (78.63%)
Shared Links in MetaPath 145 (49.66%) 145  (49.66%)
Number of Shortest Paths 70216 51809
Length Of Smallest Path 3 3
Average Path Length 14.5878 12.4035
Length of Longest Path 30 31
Minimum Path Strength 0.58125 1.365
Average Path Strength 5.98666 6.66047
Maximum Path Strength 23.03 19.01
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.910628 0.922359
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.7037 4.16667
Average % Of Corr. Nodes 43.2703 54.633
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 38.0965 51.451
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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