Orange: nodes, hubs and links specific of 5ht1b_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of 5ht1b_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 5ht1b_off Avg Int. Strength 5ht1b_on Avg Int. Strength 5ht1b_off Num Of Links 5ht1b_on Num Of Links ConSurf
1NT.Q41 5ht1b_off10.64750402
21x32 5ht1b_off4.34753.685423
31x52 5ht1b_off4.54256.43417
42x56 5ht1b_off6.97756.23667437
53x32 5ht1b_off10.27258.75438
63x40 5ht1b_off6.238.425428
73x52 5ht1b_off11.17512.1467435
84x50 5ht1b_off6.2054.37429
95x58 5ht1b_off4.078.49539
105x64 5ht1b_off5.54754.895426
116x31 5ht1b_off6.371.885426
126x41 5ht1b_off3.77253.38438
136x49 5ht1b_off4.58753.73667436
146x58 5ht1b_off5.2854.77434
157x45 5ht1b_off8.739.19667439
167x48 5ht1b_off3.67252.28426
172x50 Shared5.866.72559
182x57 Shared7.48757.77447
19E1x50 Shared8.414296.506758
203x28 Shared7.768.58546
213x41 Shared8.098.3475546
223x42 Shared9.0227.302557
233x49 Shared7.7854.6575449
243x51 Shared6.118.46448
25I2x53 Shared11.29410.0475548
265x47 Shared11.95412.3825548
275x48 Shared6.9565.648556
285x62 Shared4.36758.78446
296x44 Shared6.4744.736559
306x48 Shared8.051437.27857777
316x51 Shared9.2386.914558
326x52 Shared13.99412.246557
337x37 Shared6.25756.4725446
347x39 Shared9.187147.705786
357x42 Shared6.357.14286777
367x52 Shared2.6943.8225548
378x50 Shared5.1159.468458
38Lig Shared7.301547.8046213130
391x50 5ht1b_on8.155.515349
40I1x50 5ht1b_on7.1956.368258
412x38 5ht1b_on6.076673.6325346
422x46 5ht1b_on4.114.63259
432x51 5ht1b_on3.6755.01248
442x66 5ht1b_on3.642.9775145
453x34 5ht1b_on3.683.205346
463x43 5ht1b_on3.557.4348
473x46 5ht1b_on4.285.53149
48I2x57 5ht1b_on10.84336.425347
497x34 5ht1b_on6.893337.4375344
507x49 5ht1b_on10.1759.2249
517x53 5ht1b_on11.7356.19259
   
Orange: nodes, hubs and links specific of 5ht1b_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of 5ht1b_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 5ht1b_off Recurrence 5ht1b_on Recurrence 5ht1b_off Hub1? 5ht1b_on Hub1? 5ht1b_off Hub2? 5ht1b_on Hub2? ConSurf1 ConSurf2
11x32 NT.Q41 5ht1b_off11.53030YesNoYesNo32
21x36 2x65 5ht1b_off29.23813.04219NoNoNoNo66
31x36 2x61 5ht1b_off30.39210NoNoNoNo67
41x46 2x57 5ht1b_off12.79080NoNoYesYes77
57x53 8x50 5ht1b_off29.83590NoYesYesYes98
62x43 7x53 5ht1b_off31.0784.87273NoNoNoYes89
72x40 2x43 5ht1b_off32.510NoNoNoNo98
82x37 2x39 5ht1b_off38.07120NoNoNoNo88
92x39 3x50 5ht1b_off39.26220NoNoNoNo89
103x49 3x50 5ht1b_off41.98720YesYesNoNo99
113x52 I2x53 5ht1b_off62.69816.88633YesNoYesYes58
123x51 3x52 5ht1b_off67.58740YesYesYesNo85
133x41 5x50 5ht1b_off83.39054.57636YesYesNoNo69
143x40 5x50 5ht1b_off84.74840YesNoNoNo89
153x40 Lig 5ht1b_off69.61720YesNoYesYes80
167x42 Lig 5ht1b_off61.10390YesYesYesYes70
177x54 8x50 5ht1b_off15.09872.44073NoNoYesYes78
187x54 8x54 5ht1b_off10.66830NoNoNoNo77
19I2x53 I2x57 5ht1b_off13.96791.31625YesYesNoYes87
202x49 3x42 5ht1b_off11.91956.84275NoNoYesYes87
212x49 3x38 5ht1b_off12.26710NoNoNoNo88
223x38 4x53 5ht1b_off27.59760NoNoNoNo88
233x42 4x50 5ht1b_off15.80780YesYesYesNo79
243x38 4x50 5ht1b_off15.37212.29254NoNoYesNo89
256x44 7x45 5ht1b_off10.73320YesYesYesNo99
266x48 7x42 5ht1b_off14.15330YesYesYesYes77
27E1x50 E1x52 5ht1b_off10.89546.91248YesYesNoNo86
283x28 E1x50 5ht1b_off42.36260YesYesYesYes68
292x63 E2.E198 5ht1b_off10.54786.91248NoNoNoNo64
303x30 4x61 5ht1b_off31.84266.77301NoNoNoNo77
313x30 4x57 5ht1b_off33.93279.144NoNoNoNo77
323x40 5x47 5ht1b_off10.74240YesNoYesYes88
333x44 5x54 5ht1b_off26.98580NoNoNoNo78
344x59 4x60 5ht1b_off21.82320.0610181NoNoNoNo77
354x60 4x61 5ht1b_off23.9550NoNoNoNo77
364x59 5x39 5ht1b_off19.68210.148187NoNoNoNo78
374x63 5x36 5ht1b_off11.02050NoNoNoNo66
385x36 5x38 5ht1b_off13.20330NoNoNoNo63
395x38 5x39 5ht1b_off17.53170.0610181NoNoNoNo38
405x54 6x41 5ht1b_off25.53538.46409NoNoYesNo88
415x58 6x41 5ht1b_off19.61720YesNoYesNo98
425x58 5x62 5ht1b_off13.75010YesNoYesYes96
433x43 6x40 5ht1b_off13.03180NoYesNoNo88
446x51 Lig 5ht1b_off16.65590.470711YesYesYesYes80
456x54 7x34 5ht1b_off13.88910NoNoNoYes44
466x51 7x34 5ht1b_off27.53735.77929YesYesNoYes84
476x58 7x34 5ht1b_off12.12810YesNoNoYes44
481x29 1x32 Shared10.246521.121NoNoYesNo33
491x32 2x65 Shared25.289624.0673YesNoNoNo36
502x61 7x39 Shared31.448750.3225NoNoYesYes76
512x57 7x39 Shared15.766124.3724YesYesYesYes76
521x50 2x50 Shared13.564740.9955NoYesYesYes99
532x37 2x40 Shared36.694843.6367NoNoNoNo89
543x49 I2x53 Shared45.467610.0244YesYesYesYes98
553x51 5x57 Shared79.386419.7699YesYesNoNo86
565x53 5x57 Shared81.518224.0411NoNoNoNo76
573x44 5x53 Shared82.542426.1506NoNoNoNo77
583x41 3x44 Shared10028.2427YesYesNoNo67
597x39 7x42 Shared39.753542.887YesYesYesYes67
602x38 I2x57 Shared13.963363.4327NoYesNoYes67
613x37 4x53 Shared34.201520.6939NoNoNoNo78
623x37 Lig Shared36.249925.0959NoNoYesYes70
633x42 4x49 Shared27.314953.8529YesYesNoNo77
643x41 4x49 Shared30.039944.3515YesYesNoNo67
653x43 6x44 Shared19.904541.9718NoYesYesYes89
663x40 6x44 Shared25.141316.1698YesNoYesYes89
677x45 7x49 Shared10.075147.1409YesNoNoYes99
682x56 7x42 Shared21.452418.9941YesNoYesYes77
692x60 3x28 Shared21.355120.9902NoNoYesYes66
702x63 E1x50 Shared14.167210.3469NoNoYesYes68
713x34 4x57 Shared36.008911.4888NoYesNoNo67
723x34 4x53 Shared44.22118.4188NoYesNoNo68
732x56 3x28 Shared34.790128.0073YesNoYesYes76
742x56 3x32 Shared16.285111.0007YesNoYesNo78
752x60 7x42 Shared19.02419.395NoNoYesYes67
763x32 Lig Shared16.859827.7894YesNoYesYes80
771x29 1x30 5ht1b_on7.3639810.6346NoNoNoNo33
782x65 2x66 5ht1b_on030.4393NoNoNoYes65
792x62 2x66 5ht1b_on043.9679NoNoNoYes55
802x61 2x62 5ht1b_on047.3065NoNoNoNo75
812x53 2x57 5ht1b_on4.411927.9289NoNoYesYes87
822x53 7x46 5ht1b_on6.2285792.3727NoNoNoNo89
832x50 7x46 5ht1b_on5.4082992.7911YesYesNoNo99
841x50 2x51 5ht1b_on031.1628NoYesNoYes98
852x51 2x54 5ht1b_on4.6065413.2845NoYesNoNo87
862x53 7x42 5ht1b_on064.5833NoNoYesYes87
872x46 2x50 5ht1b_on7.2203292.4948NoYesYesYes99
882x46 3x46 5ht1b_on0100NoYesNoYes99
892x42 3x46 5ht1b_on1.5525181.4766NoNoNoYes79
902x42 3x49 5ht1b_on4.39879.681NoNoYesYes79
913x49 I2x57 5ht1b_on1.5154366.0565YesYesNoYes97
922x37 2x38 5ht1b_on045.7287NoNoNoYes86
932x40 I1x50 5ht1b_on035.2162NoNoNoYes98
948x50 I1x50 5ht1b_on020.1534YesYesNoYes88
958x50 8x54 5ht1b_on011.4017YesYesNoNo87
962x38 4x39 5ht1b_on7.8737616.3877NoYesNoNo63
972x41 4x39 5ht1b_on0.064880911.698NoNoNoNo53
982x46 3x42 5ht1b_on064.6792NoYesYesYes97
992x46 3x43 5ht1b_on7.7857125.1656NoYesNoYes98
1002x50 7x49 5ht1b_on9.1574818.1747YesYesNoYes99
1013x43 7x49 5ht1b_on019.0551NoYesNoYes89
1022x51 2x55 5ht1b_on4.2404310.6607NoYesNoNo85
1033x32 7x42 5ht1b_on0.40782316.4662YesNoYesYes87
1043x28 3x29 5ht1b_on6.854243.1311YesYesNoNo66
1053x29 E2x50 5ht1b_on3.2764939.871NoNoNoNo69
106E1x50 E2x50 5ht1b_on3.6750433.8128YesYesNoNo89
1073x21 E1x50 5ht1b_on3.642613.7639NoNoYesYes68
1083x21 3x22 5ht1b_on010.3469NoNoNoNo64
1096x48 Lig 5ht1b_on3.4433244.0377YesYesYesYes70
1107x38 7x42 5ht1b_on6.7429811.0704NoNoYesYes67
1116x51 7x38 5ht1b_on6.4510110.3556YesYesNoNo86
1126x48 6x51 5ht1b_on7.5586210.068YesYesYesYes78
1133x40 6x48 5ht1b_on015.7165YesNoYesYes87
1143x41 4x52 5ht1b_on4.7919211.3232YesYesNoNo65
1153x43 7x53 5ht1b_on041.0303NoYesNoYes89
1163x46 7x53 5ht1b_on016.2221NoYesNoYes99
1173x46 3x50 5ht1b_on031.5202NoYesNoNo99
1183x50 5x58 5ht1b_on044.8396NoNoYesNo99
1193x51 3x55 5ht1b_on7.6466813.2235YesYesNoNo87
1206x52 Lig 5ht1b_on7.8552214.0429YesYesYesYes70
1215x47 6x52 5ht1b_on5.5658516.9456YesYesYesYes87
1225x47 5x48 5ht1b_on3.642614.4874YesYesYesYes86
1235x47 5x51 5ht1b_on2.7481711.1576YesYesNoNo86
1245x54 6x44 5ht1b_on011.2535NoNoYesYes89
1255x58 6x37 5ht1b_on032.7319YesNoNoNo98
1265x58 6x40 5ht1b_on010.6084YesNoNoNo98
1275x62 6x37 5ht1b_on030.4045YesYesNoNo68
1285x62 6x30 5ht1b_on016.8149YesYesNoNo68
1297x52 7x53 5ht1b_on018.6018YesYesNoYes89
1306x44 6x45 5ht1b_on3.1606313.9644YesYesNoNo96
1316x45 6x49 5ht1b_on1.6312912.3692NoNoYesNo66
1326x48 7x45 5ht1b_on8.7450246.984YesYesYesNo79
1336x49 6x50 5ht1b_on5.4221916.4139YesNoNoNo69
1346x50 7x37 5ht1b_on3.211611.0094NoNoYesYes96
1357x34 7x35 5ht1b_on010.5038NoYesNoNo44
1366x58 Lig 5ht1b_on011.8898YesNoYesYes40
1376x30 6x33 5ht1b_on1.6034914.4439NoNoNoNo88
1385x69 6x33 5ht1b_on011.5673NoNoNoNo58
1395x51 6x44 5ht1b_on2.2013211.698NoNoYesYes69
1402x46 7x49 5ht1b_on030.4829NoYesNoYes99
1413x50 7x53 5ht1b_on015.6904NoNoNoYes99

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
2x532x565ht1b_off4.8100122
2x532x57Shared4.564.560122
2x563x32Shared13.158.761121
2x567x42Shared5.055.051121
2x577x39Shared5.825.820122
2x607x39Shared8.659.881122
2x607x42Shared6.366.361121
3x323x365ht1b_off4.6701111
3x327x42Shared11.499.21111
3x32LigShared11.788.291110
3x33LigShared4.7716.460010
3x366x48Shared3.926.531111
3x36LigShared5.35.381110
3x374x53Shared6.46.40012
3x375x461Shared5.035.030012
3x37LigShared4.9250010
3x405x475ht1b_off3.7700012
3x405x505ht1b_off5.0800012
3x406x44Shared11.36.280012
3x40Lig5ht1b_off4.7700010
E2x52LigShared3.987.070010
5x445x48Shared6.243.750012
5x44Lig5ht1b_off3.9400010
5x475x48Shared11.3512.381022
5x476x52Shared33.2225.721021
5x486x525ht1b_off6.1901021
5x486x56Shared4.694.691022
6x447x455ht1b_off8.4600022
6x486x51Shared9.026.011111
6x486x52Shared6.0111.021111
6x487x41Shared12.678.441112
6x487x425ht1b_off3.8601111
6x487x45Shared3.394.521112
6x48LigShared17.493.861110
6x516x52Shared10.726.431111
6x517x34Shared3.227.51111
6x517x38Shared7.783.891112
6x51LigShared15.4510.741110
6x52LigShared13.8311.571110
6x547x305ht1b_off3.9800022
6x547x345ht1b_off5.0200021
6x586x59Shared3.351.680012
6x587x305ht1b_off3.9400012
6x587x345ht1b_off12.4400011
7x387x42Shared6.243.750121
7x397x42Shared6.758.681121
7x42Lig5ht1b_off4.701110
5x43Lig5ht1b_off3.0100010
6x556x565ht1b_off300012
6x587x315ht1b_off1.4100012
5x40LigShared0.9830010
2x537x425ht1b_on03.790121
2x577x425ht1b_on013.170121
3x406x485ht1b_on010.570011
5x446x525ht1b_on06.490011
5x446x555ht1b_on07.990011
6x55Lig5ht1b_on06.110010
6x58Lig5ht1b_on09.590010
7x317x355ht1b_on04.070022
7x347x355ht1b_on05.970112
7x347x385ht1b_on03.890112
7x34Lig5ht1b_on012.390110
4x565x435ht1b_on03.10021
6x576x585ht1b_on03.040021
E2.T203Lig5ht1b_on020010

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
5ht1b_off 5V54-5-HT1B-Methiothepin
5ht1b_on 6G79-5-HT1B-Donitriptan-Go/&β;1/&γ;2
Network Difference
Value 5ht1b_off 5ht1b_on
Imin 3.17 3.64
Number of Linked Nodes 252 231
Number of Specific Nodes 31 (12.30%) 10  (4.33%)
Number of Shared Nodes 221 (87.70%) 221  (95.67%)
Number of Links 290 260
Number of Specific Links 124 (42.76%) 94  (36.15%)
Number of Shared Links 166 (57.24%) 166  (63.85%)
Number of Hubs 38 35
Number of Specific Hubs 16 (42.11%) 13  (37.14%)
Number of Shared Hubs 22 (57.89%) 22  (62.86%)
Average % Shared Neighbours (Jaccard) 43.07
Average % Shared Neighbours (Otsuka) 51.36
Average % Shared Neighbours (Overlap Coefficient) 60.23
Average % Shared Cliques (k3-6) 82.43
Graphlets Similarity 0.654237
Paths Difference
Value 5ht1b_off 5ht1b_on
Number Of Nodes in MetaPath 74 85
Specific Nodes in MetaPath 23 (31.08%) 34  (40.00%)
Shared Nodes in MetaPath 221 (87.70%) 221  (87.70%)
Number Of Links MetaPath 76 94
Specific Links in MetaPath 47 (61.84%) 65  (69.15%)
Shared Links in MetaPath 166 (57.24%) 166  (57.24%)
Number of Shortest Paths 49799 35081
Length Of Smallest Path 3 3
Average Path Length 13.8798 12.0787
Length of Longest Path 40 28
Minimum Path Strength 1.435 1.45
Average Path Strength 6.29494 6.06676
Maximum Path Strength 23.525 19.05
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.929929 0.909867
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.57143 4
Average % Of Corr. Nodes 50.3104 47.1346
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 42.9247 48.381
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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