Orange: nodes, hubs and links specific of nk1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of nk1_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 nk1_off Avg Int. Strength nk1_on Avg Int. Strength nk1_off Num Of Links nk1_on Num Of Links ConSurf
11x35 nk1_off4.011259.12667434
21x45 nk1_off3.709383.57434
3I1x50 nk1_off4.308134.44667437
42x41 nk1_off4.913756.55333435
5E1x51 nk1_off6.6606317.96412
63x29 nk1_off6.798756.15435
73x36 nk1_off4.486884.73427
83x37 nk1_off7.441259.5437
93x41 nk1_off7.806253.2435
103x49 nk1_off5.591259.54429
11E2x52 nk1_off6.145512.24524
12E2.P185 nk1_off4.483758.48434
135x36 nk1_off7.4256212.4733434
145x40 nk1_off8.133759.03435
155x43 nk1_off4.708755.39425
165x461 nk1_off4.478756.74333436
176x40 nk1_off4.705623.04417
187x53 nk1_off6.7389.07539
19Lig Shared8.7607115.747414190
201x50 Shared5.68556.3549
211x55 Shared4.228756.475444
222x42 Shared5.54156.438557
232x50 Shared6.223759.0575449
242x57 Shared5.65756.315566
25E1x50 Shared7.332148.28667768
26E1x52 Shared6.1593812.18447
273x33 Shared5.0956.596455
283x51 Shared7.9517.09558
293x55 Shared8.523757.23457
303x56 Shared7.094385.6725446
314x42 Shared4.72756447
324x50 Shared6.053135.14667469
334x61 Shared7.774178.844656
34E2.W184 Shared6.4896412.092755
355x39 Shared8.410.31456
365x47 Shared8.801257.7725448
376x48 Shared7.280427.67667668
386x51 Shared10.04948.018457
396x52 Shared6.701878.27447
406x54 Shared5.60759.4454
417x39 Shared7.72357.92545
428x50 Shared6.77256.008559
43NT.N23 nk1_on08.23040
44NT.F25 nk1_on011.284050
45NT.Q27 nk1_on3.047.6125244
461x56 nk1_on4.190834.51358
471x60 nk1_on5.011256.038255
482x38 nk1_on5.728756.23246
492x53 nk1_on3.183334.5025347
502x61 nk1_on6.1658.444256
512x64 nk1_on7.04258.715244
522x66 nk1_on4.076256.6525245
532x68 nk1_on2.118.62164
543x27 nk1_on7.651677.135344
553x28 nk1_on7.83510.09365
563x31 nk1_on10.70875.9125244
573x32 nk1_on9.35256.42246
58I2.R141 nk1_on5.358.53345
595x58 nk1_on6.345838.302359
606x36 nk1_on5.589175.0775348
616x37 nk1_on3.236678.7525348
626x61 nk1_on3.183.51244
63E3.L277 nk1_on1.484173.35345
647x34 nk1_on5.9008311.15345
657x38 nk1_on7.033756.8925245
667x42 nk1_on5.865.8375247
   
Orange: nodes, hubs and links specific of nk1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of nk1_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 nk1_off Recurrence nk1_on Recurrence nk1_off Hub1? nk1_on Hub1? nk1_off Hub2? nk1_on Hub2? ConSurf1 ConSurf2
1E2x52 Lig nk1_off31.20620YesNoYesYes40
25x461 Lig nk1_off11.12080YesNoYesYes60
31x39 7x38 nk1_off99.8440NoNoNoYes75
47x43 7x48 nk1_off96.6674.25167NoNoNoNo55
57x39 7x43 nk1_off96.88050YesYesNoNo55
66x40 7x49 nk1_off56.10770YesNoNoNo79
76x40 7x52 nk1_off93.9580YesNoNoNo78
86x43 7x52 nk1_off94.49980NoNoNoNo68
96x43 7x48 nk1_off94.76258.49698NoNoNoNo65
101x55 1x60 nk1_off12.62863.52717YesYesNoYes45
111x60 I1x50 nk1_off13.63290.203368NoYesYesNo57
128x50 I1x50 nk1_off18.00020YesYesYesNo97
136x37 6x40 nk1_off63.37290NoYesYesNo87
143x47 5x58 nk1_off60.30812.21163NoNoNoYes99
153x47 5x57 nk1_off57.56070NoNoNoNo97
163x48 5x57 nk1_off40.18990NoNoNoNo57
173x48 3x52 nk1_off39.36354.16269NoNoNoNo55
183x52 I2.R141 nk1_off38.53160NoNoNoYes55
193x49 I2.R141 nk1_off35.89658.99905YesNoNoYes95
202x38 3x49 nk1_off21.97620NoYesYesNo69
212x38 4x42 nk1_off21.21837.35303NoYesYesYes67
222x39 3x49 nk1_off12.37410NoNoYesNo89
232x39 3x46 nk1_off11.58880NoNoNoNo89
242x42 3x46 nk1_off10.68030YesYesNoNo79
25E1x50 E1x52 nk1_off15.11887.02892YesYesYesYes87
26E1x51 E1x52 nk1_off10.91010YesNoYesYes27
272x64 E1x51 nk1_off11.0880NoYesYesNo42
28E1x49 E1x51 nk1_off12.85853.92755NoNoYesNo42
293x25 E1x50 nk1_off11.39453.78138NoNoYesYes98
303x29 4x61 nk1_off25.17240YesNoYesYes56
313x29 E2x52 nk1_off23.57710YesNoYesNo54
323x37 5x461 nk1_off11.26316.67302YesNoYesNo76
333x51 5x57 nk1_off21.8232.20527YesYesNoNo87
343x51 3x55 nk1_off14.94916.42517YesYesYesYes87
353x54 3x55 nk1_off13.15130NoNoYesYes87
36E2.W184 E2x52 nk1_off10.06180.177947YesYesYesNo54
375x36 Lig nk1_off14.78770YesNoYesYes40
38E2.P185 E2.W184 nk1_off18.32040YesNoYesYes45
395x31 E2.H187 nk1_off11.53130NoNoNoNo12
403x28 3x29 nk1_off47.49070NoYesYesNo55
414x61 Lig Shared32.503367.836YesYesYesYes60
426x55 Lig Shared90.304819.8729NoNoYesYes60
431x39 7x39 Shared99.135358.4493NoNoYesYes75
447x34 7x38 Shared99.94810.2383NoYesNoYes55
456x54 7x34 Shared10034.1913YesYesNoYes45
466x54 6x55 Shared95.101824.3534YesYesNoNo46
472x50 7x49 Shared13.301845.8278YesYesNoNo99
481x56 8x50 Shared11.200233.81NoYesYesYes89
497x53 8x50 Shared37.316746.7429YesNoYesYes99
507x49 7x53 Shared45.692949.1897NoNoYesNo99
515x58 6x37 Shared62.177160.3559NoYesNoYes98
522x42 4x42 Shared10.978526.7048YesYesYesYes77
532x42 4x46 Shared15.737248.7957YesYesNoNo78
542x45 4x46 Shared13.788952.469NoNoNoNo98
553x28 E1x50 Shared46.809311.2488NoYesYesYes58
562x64 E1x50 Shared12.677910.7912NoYesYesYes48
574x61 E2.W184 Shared10.220624.15YesYesYesYes65
58E2.H187 E2.P185 Shared13.821713.5685NoNoYesNo24
59NT.N23 NT.V26 nk1_on016.2568NoYesNoNo00
602x67 NT.V26 nk1_on012.7042NoNoNoNo50
617x31 NT.Q27 nk1_on048.211NoNoNoYes44
627x31 NT.F25 nk1_on089.374NoNoNoYes40
632x66 NT.Q27 nk1_on036.6698NoYesNoYes54
641x35 7x32 nk1_on037.9917YesNoNoNo41
657x31 7x32 nk1_on039.9682NoNoNoNo41
661x35 7x35 nk1_on1.0425834.3502YesNoNoNo43
671x39 2x62 nk1_on5.1116532.469NoNoNoNo76
682x62 2x66 nk1_on3.034736.4983NoNoNoYes65
691x39 7x35 nk1_on030.5624NoNoNoNo73
701x42 7x39 nk1_on1.0535225.3511NoNoYesYes75
712x57 7x42 nk1_on048.1093YesYesNoYes67
722x57 Lig nk1_on087.9695YesYesYesYes60
73Lig NT.F25 nk1_on0100YesYesNoYes00
741x45 7x47 nk1_on6.2527416.9495YesNoNoNo47
751x42 7x47 nk1_on021.1567NoNoNoNo77
761x46 7x46 nk1_on2.0769513.435NoNoNoNo89
772x53 7x46 nk1_on074.2231NoYesNoNo79
782x53 7x42 nk1_on052.3864NoYesNoYes77
791x46 1x50 nk1_on2.1043110.6768NoNoYesYes89
801x50 2x50 nk1_on8.2448613.435YesYesYesYes99
812x50 7x46 nk1_on3.1003761.3727YesYesNoNo99
821x56 I1x50 nk1_on012.7614NoYesYesNo87
831x57 8x50 nk1_on7.0244112.8249NoNoYesYes79
848x49 I1x50 nk1_on2.2712311.1408NoNoYesNo67
852x39 I2.R141 nk1_on011.9288NoNoNoYes85
862x42 3x49 nk1_on011.9733YesYesYesNo79
872x45 4x50 nk1_on9.8757757.2799NoNoYesYes99
883x31 4x50 nk1_on087.6772NoYesYesYes49
893x31 3x32 nk1_on091.2933NoYesNoYes46
902x57 3x32 nk1_on5.6397852.1322YesYesNoYes66
913x28 3x32 nk1_on048.5224NoYesNoYes56
923x28 Lig nk1_on056.9177NoYesYesYes50
932x45 3x42 nk1_on1.9839113.6193NoNoNoNo98
942x48 4x50 nk1_on3.9650814.5345NoNoYesYes69
953x36 6x48 nk1_on0.38583628.0775YesNoYesYes78
966x48 6x51 nk1_on3.6722972.4055YesYesYesYes87
976x51 Lig nk1_on0.83734776.136YesYesYesYes70
987x34 Lig nk1_on020.9914NoYesYesYes50
993x26 4x65 nk1_on012.3228NoNoNoNo65
1003x29 4x65 nk1_on0.11219417.1656YesNoNoNo55
1013x29 Lig nk1_on017.1338YesNoYesYes50
1023x33 Lig nk1_on4.9584111.7255YesYesYesYes50
1034x50 4x54 nk1_on010.8929YesYesNoNo94
1046x51 6x52 nk1_on026.1837YesYesYesYes77
1056x44 6x48 nk1_on7.5525482.7455NoNoYesYes98
1063x44 5x50 nk1_on077.9282NoNoNoNo79
1075x50 6x44 nk1_on081.3346NoNoNoNo99
1083x44 5x54 nk1_on1.0535274.4709NoNoNoNo78
1095x54 5x58 nk1_on070.9628NoNoNoYes89
1103x55 3x56 nk1_on0.16144912.7105YesYesYesYes76
1113x55 5x61 nk1_on027.5755YesYesNoNo78
1125x61 6x37 nk1_on045.5863NoNoNoYes88
1133x54 5x61 nk1_on3.1441617.3626NoNoNoNo88
1143x54 5x65 nk1_on9.1560915.2272NoNoNoNo88
1154x61 5x39 nk1_on2.5448843.3174YesYesYesYes66
1164x59 4x60 nk1_on1.5597628.5732NoNoNoNo48
1174x60 5x39 nk1_on3.0182830.6768NoNoYesYes86
1184x59 4x63 nk1_on0.073883526.4315NoNoNoNo44
1194x63 4x64 nk1_on2.3697524.2771NoNoNoNo45
1204x64 E2.P185 nk1_on0.062937817.7312NoNoYesNo54
1215x39 5x40 nk1_on010.9056YesYesYesNo65
1225x34 E2.H187 nk1_on011.3378NoNoNoNo12
1235x36 E2.W184 nk1_on9.7909412.3419YesNoYesYes45
1245x47 6x52 nk1_on6.5783712.7677YesYesYesYes87
1255x65 6x34 nk1_on010.931NoNoNoNo86
1266x36 6x37 nk1_on012.6343NoYesNoYes88
1276x43 6x47 nk1_on016.9495NoNoNoNo68
1286x47 7x40 nk1_on1.1027821.1567NoNoNoNo87
1297x39 7x40 nk1_on025.3511YesYesNoNo57
1306x54 7x30 nk1_on9.0438940.0953YesYesNoNo44
1316x61 E3.L277 nk1_on012.1957NoYesNoYes45
1327x29 E3.L277 nk1_on024.3216NoNoNoYes35
1337x29 7x33 nk1_on032.3292NoNoNoNo35
1347x30 7x33 nk1_on036.3139NoNoNoNo45
1355x37 6x59 nk1_on1.0480519.428NoNoNoNo35
1365x40 6x59 nk1_on4.0964316.8796YesNoNoNo55
1375x40 E2.W184 nk1_on010.054YesNoYesYes55
1385x37 5x41 nk1_on012.9711NoNoNoNo35
1392x68 Lig nk1_on014.1913NoYesYesYes40
1402x68 NT.N23 nk1_on010.3654NoYesNoYes40
1412x46 3x42 nk1_on011.7382NoNoNoNo98
1422x53 3x36 nk1_on2.2548227.3848NoYesYesNo77

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
3x32Lignk1_off10.9700110
3x33LigShared7.372514.971110
3x36Lignk1_off3.322501010
4x61LigShared16.569.521110
E2x52Lignk1_off3.99501110
5x40Lignk1_off16.342501110
5x43Lignk1_off3.877501010
5x461Lignk1_off4.9901010
6x48Lignk1_off5.707501110
6x51LigShared18.087.461110
6x52Lignk1_off5.637501010
6x55LigShared17.6713.951110
7x42Lignk1_off3.81500110
2x532x57nk1_off3.857500021
2x533x36Shared3.27754.560021
2x572x61Shared3.4055.454111
2x573x27nk1_off6.342504112
2x573x31nk1_off6.947504112
2x573x32Shared7.7354.894111
2x587x42Shared7.9059.030021
2x613x28Shared8.92512.750111
2x64E1x50Shared10.6111.580112
3x28E1x50Shared8.20254.230112
3x273x31Shared14.477.54122
3x283x29nk1_off6.377500111
3x294x61nk1_off5.2801111
3x294x65Shared6.33255.961112
3x29E2x52nk1_off9.20501111
3x334x57Shared3.253.251112
3x334x61Shared5.14755.491111
3x335x43nk1_off4.6101111
3x365x461nk1_off4.847501011
3x366x48Shared6.54.91011
3x373x41nk1_off18.3100022
3x375x461Shared3.7711.30021
3x403x41nk1_off3.6307122
3x406x44Shared11.30257.547122
4x565x43Shared3.7254.470021
4x61E2x52Shared6.51756.861111
4x61E2.W184Shared3.566.571112
4x615x39Shared9.5815.781112
4x65E2x52nk1_off4.257501021
E2.E172E2.M174Shared3.726.770111
E2.E172E2.E183nk1_off6.9800112
E2.E183E2x51nk1_off5.742500021
E2.W184E2x52Shared6.752517.621121
5x36E2.W184Shared16.08518.540012
5x39E2.W184Shared6.2713.51122
5x335x36Shared7.087512.150021
5x395x43Shared6.62256.311121
5x405x44nk1_off3.42501112
5x406x56nk1_off5.14501112
5x406x59Shared7.622515.241112
5x446x52Shared9.2412.321021
5x446x56Shared3.68255.91022
5x4616x52Shared4.30755.31011
5x476x52Shared7.62259.80021
6x446x48Shared9.778.020121
6x486x51Shared8.767511.021111
6x487x41Shared5.8357.781112
6x487x45Shared7.10254.941112
6x516x55Shared8.842511.791111
6x517x41Shared4.50754.161112
6x546x55Shared8.842510.720021
6x547x34Shared8.25259.280021
7x347x38Shared7.782511.970112
E2.M174E2.P175Shared3.35256.710112
2x64E1x51nk1_off3.47500112
5x36Lignk1_off4.3100010
5x36E2.E183nk1_off2.2200012
E2.E172E2.V179nk1_off2.1400111
2x68E2.R177Shared2.1113.260112
2x657x34nk1_off1.667500021
E3.L277E3.L279nk1_off1.38500721
NT.F25NT.N23nk1_on08.460112
2x68NT.N23nk1_on04.090112
E2.R177NT.N23nk1_on014.460122
NT.F25NT.Q24nk1_on014.050112
2x68NT.F25nk1_on08.460111
7x31NT.F25nk1_on09.370021
LigNT.F25nk1_on016.081101
2x537x42nk1_on04.330021
2x573x28nk1_on08.934111
2x577x38nk1_on04.214112
2x577x42nk1_on04.214111
2x57Lignk1_on010.24110
2x603x28nk1_on012.450121
2x617x34nk1_on08.140111
2x617x38nk1_on05.610112
2x61Lignk1_on010.270110
2x642x68nk1_on06.980111
2x64E2.V179nk1_on06.310111
2x64Lignk1_on09.990110
2x68E2.V179nk1_on04.430111
2x68Lignk1_on014.50110
3x273x32nk1_on04.334121
3x283x32nk1_on010.680111
3x28Lignk1_on011.50110
3x293x33nk1_on04.251111
3x29Lignk1_on08.241110
3x313x32nk1_on05.784121
3x333x37nk1_on05.021112
3x374x56nk1_on012.180022
3x406x48nk1_on09.47121
E2.E172Lignk1_on06.290110
E2.M174Lignk1_on06.70110
E2.V179Lignk1_on010.490110
E2x51Lignk1_on08.710010
5x40E2.W184nk1_on04.231112
5x366x59nk1_on06.730012
5x395x40nk1_on07.621121
6x516x52nk1_on05.661111
E3.L279Lignk1_on08.060010
7x34Lignk1_on015.210110
7x387x42nk1_on05.780121
3x415x461nk1_on03.637021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
nk1_off 6HLP-NK1-Netupitant
6HLO-NK1-Aprepitant
6HLL-NK1-CP99994
6E59-NK1-L-760735
nk1_on 7P00-NK1-Substance-P-chim(NtGi1-Gs-CtGq)/β1/γ2
Network Difference
Value nk1_off nk1_on
Imin 3.24 4
Number of Linked Nodes 283 267
Number of Specific Nodes 23 (8.13%) 7  (2.62%)
Number of Shared Nodes 260 (91.87%) 260  (97.38%)
Number of Links 322 318
Number of Specific Links 139 (43.17%) 135  (42.45%)
Number of Shared Links 183 (56.83%) 183  (57.55%)
Number of Hubs 42 48
Number of Specific Hubs 18 (42.86%) 24  (50.00%)
Number of Shared Hubs 24 (57.14%) 24  (50.00%)
Average % Shared Neighbours (Jaccard) 44.89
Average % Shared Neighbours (Otsuka) 53.80
Average % Shared Neighbours (Overlap Coefficient) 62.10
Average % Shared Cliques (k3-6) 54.17
Graphlets Similarity 0.647183
Paths Difference
Value nk1_off nk1_on
Number Of Nodes in MetaPath 55 98
Specific Nodes in MetaPath 21 (38.18%) 64  (65.31%)
Shared Nodes in MetaPath 260 (91.87%) 260  (91.87%)
Number Of Links MetaPath 58 102
Specific Links in MetaPath 40 (68.97%) 84  (82.35%)
Shared Links in MetaPath 183 (56.83%) 183  (56.83%)
Number of Shortest Paths 66208 56792
Length Of Smallest Path 3 3
Average Path Length 17.2079 12.6728
Length of Longest Path 37 27
Minimum Path Strength 0.37375 1.21
Average Path Strength 6.61539 7.81118
Maximum Path Strength 17.2113 20.675
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.913157 0.919552
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.22581 4.54545
Average % Of Corr. Nodes 34.0261 50.3021
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 37.1365 49.7804
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 nk1_off_on.zip<



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