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_off00534
21x50 nk1_off33.333350439
3I1x51 nk1_off00426
42x41 nk1_off33.33330435
52x48 nk1_off00436
62x62 nk1_off33.33330436
72x67 nk1_off00435
8E1x51 nk1_off00412
93x27 nk1_off050424
103x29 nk1_off66.66670435
113x37 nk1_off00437
123x41 nk1_off1000435
134x50 nk1_off33.333350439
14E2x52 nk1_off33.33330534
15E2.E183 nk1_off00433
165x36 nk1_off33.33330434
175x40 nk1_off33.33330525
185x43 nk1_off33.33330425
195x461 nk1_off66.66670436
205x47 nk1_off10050438
216x31 nk1_off00515
226x44 nk1_off00439
237x39 nk1_off66.66670535
247x53 nk1_off1000539
251x31 Shared050442
262x42 Shared100100457
272x50 Shared66.6667100649
282x53 Shared33.333350447
292x57 Shared33.333350466
30E1x50 Shared100100658
31E1x52 Shared66.666750547
323x28 Shared66.6667100455
333x33 Shared33.3333100445
343x51 Shared33.333350558
353x55 Shared33.3333100447
363x56 Shared33.33330446
374x61 Shared10050546
38E2.R177 Shared00542
39E2.W184 Shared66.6667100645
405x39 Shared66.6667100456
416x48 Shared100100668
426x51 Shared100100557
436x52 Shared66.6667100547
448x50 Shared66.666750449
45Lig Shared10010013210
46NT.F25 nk1_on0100056
47NT.Q27 nk1_on0100144
481x47 nk1_on00246
491x55 nk1_on00344
501x56 nk1_on00348
511x60 nk1_on050245
522x46 nk1_on33.33330249
532x61 nk1_on0100256
542x64 nk1_on050244
552x68 nk1_on0100144
563x25 nk1_on050349
573x40 nk1_on00347
58I2.R141 nk1_on00345
594x65 nk1_on00345
605x58 nk1_on66.666750359
615x61 nk1_on00248
626x36 nk1_on00348
636x37 nk1_on00348
646x54 nk1_on0100264
65E3.Y278 nk1_on050342
667x31 nk1_on00144
677x32 nk1_on00341
687x34 nk1_on050355
697x38 nk1_on66.666750245
707x42 nk1_on050247
718x54 nk1_on050346
   
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
11x35 7x39 nk1_off22.53510YesNoYesNo45
21x39 7x39 nk1_off29.32546.36579NoNoYesNo75
31x39 2x62 nk1_off23.15860.369627NoNoYesNo76
47x39 7x43 nk1_off19.36920YesNoNoNo55
57x43 7x48 nk1_off18.93082.19951NoNoNoNo55
66x43 7x48 nk1_off19.73534.39445NoNoNoNo65
76x43 7x52 nk1_off20.52780NoNoNoNo68
86x40 7x52 nk1_off22.45870NoNoNoNo78
96x40 7x49 nk1_off29.28920NoNoNoNo79
102x62 3x28 nk1_off37.92190YesNoYesYes65
112x61 3x28 nk1_off11.11071.05412NoYesYesYes65
122x57 2x61 nk1_off11.60951.19558YesYesNoYes66
132x57 3x31 nk1_off27.08880YesYesNoNo64
142x53 3x31 nk1_off33.74630YesYesNoNo74
152x48 2x53 nk1_off31.7430YesNoYesYes67
161x54 2x48 nk1_off19.51811.18189NoNoYesNo76
171x54 2x44 nk1_off19.3210NoNoNoNo76
181x57 8x50 nk1_off28.52890NoNoYesYes79
196x36 7x53 nk1_off43.75080NoYesYesNo89
206x36 8x47 nk1_off40.0780NoYesNoNo88
218x47 8x49 nk1_off91.50812.71516NoNoNoNo86
228x49 I1x50 nk1_off13.44380NoNoNoNo67
231x60 I1x50 nk1_off11.18711.46938NoYesNoNo57
248x47 8x50 nk1_off55.12694.17085NoNoYesYes89
251x58 2x44 nk1_off17.07637.60245NoNoNoNo26
261x58 I1x51 nk1_off15.94595.07895NoNoYesNo26
272x41 I1x51 nk1_off12.55480YesNoYesNo56
282x48 4x50 nk1_off16.77463.90162YesNoYesNo69
292x38 4x42 nk1_off12.44220NoNoNoNo67
303x28 3x29 nk1_off62.08620YesYesYesNo55
313x29 4x61 nk1_off31.04710YesNoYesYes56
326x48 Lig nk1_off84.09030YesYesYesYes80
336x44 6x48 nk1_off88.41874.45834YesNoYesYes98
34E2x52 Lig nk1_off41.6710YesNoYesYes40
352x50 6x44 nk1_off90.430YesYesYesNo99
362x57 3x32 nk1_off20.72096.84494YesYesNoNo66
373x28 E1x50 nk1_off35.95480YesYesYesYes58
38E1x50 E1x52 nk1_off11.28362.29534YesYesYesYes87
392x62 2x66 nk1_off20.35483.46354YesNoNoNo65
402x66 2x67 nk1_off12.80820.556722NoNoYesNo55
415x461 Lig nk1_off15.72870YesNoYesYes60
423x37 5x461 nk1_off15.55983.23994YesNoYesNo76
433x37 3x41 nk1_off12.15660YesNoYesNo75
443x40 6x44 nk1_off11.38420.0638861NoYesYesNo79
458x48 8x49 nk1_off77.86320NoNoNoNo46
466x32 8x48 nk1_off69.77350NoNoNoNo84
476x28 6x32 nk1_off68.18460NoNoNoNo48
486x28 6x31 nk1_off64.08140NoNoYesNo45
495x65 6x31 nk1_off48.2360NoNoYesNo85
505x61 6x34 nk1_off41.82390NoYesNoNo86
513x54 5x61 nk1_off39.67171.44656NoNoNoYes88
523x54 3x55 nk1_off37.950NoNoYesYes87
533x51 5x60 nk1_off11.38021.38724YesYesNoNo84
543x56 I2.Q139 nk1_off11.40032.94332YesYesNoNo64
555x36 Lig nk1_off21.4490YesNoYesYes40
565x36 E2.W184 nk1_off13.95877.27845YesNoYesYes45
57E1x49 E2.R177 nk1_off19.98470NoNoYesYes42
585x31 E2.H187 nk1_off12.46633.76472NoNoNoNo12
595x40 Lig nk1_off11.8710YesNoYesYes50
606x52 Lig nk1_off13.2950YesYesYesYes70
615x47 6x52 nk1_off15.27416.01898YesNoYesYes87
626x48 7x45 nk1_off29.47831.51501YesYesNoNo89
636x47 7x45 nk1_off27.6680NoNoNoNo89
647x33 7x37 nk1_off20.34680NoNoNoNo56
657x30 7x33 nk1_off18.49630NoNoNoNo45
667x30 E3.Y278 nk1_off16.60570.0273798NoNoNoYes42
673x32 Lig nk1_off21.21970NoNoYesYes60
68E1x49 E1x51 nk1_off15.78911.72492NoNoYesNo42
69E1x51 E1x52 nk1_off11.61750YesNoYesYes27
701x35 7x32 Shared14.666712.1338YesNoNoYes41
712x50 7x49 Shared87.835468.7825YesYesNoNo99
727x49 7x53 Shared10084.5213NoNoYesNo99
737x53 8x50 Shared56.820529.2872YesNoYesYes99
741x57 2x44 Shared26.610110.1168NoNoNoNo76
752x45 4x50 Shared13.576611.8737NoNoYesNo99
762x45 4x46 Shared11.452638.5918NoNoNoNo98
772x42 4x46 Shared10.386637.5148YesYesNoNo78
784x61 Lig Shared30.395440.7456YesYesYesYes60
793x29 E2x52 Shared31.453415.4696YesNoYesNo54
806x54 7x34 Shared11.967528.2057NoYesNoYes45
816x54 6x55 Shared13.733515.1273NoYesNoNo46
826x55 Lig Shared10.020513.6077NoNoYesYes60
836x48 6x51 Shared10.193518.0798YesYesYesYes87
845x65 6x34 Shared43.97210.1214NoNoNoNo86
853x51 3x55 Shared17.917123.5192YesYesYesYes87
863x55 3x56 Shared15.680420.9911YesYesYesYes76
87E2.W184 E2x52 Shared17.643527.503YesYesYesNo54
88E2.P185 E2.W184 Shared19.755431.4046NoNoYesYes45
895x35 E2.P185 Shared17.398125.7826NoNoNoNo44
905x35 E2.H187 Shared14.936222.4742NoNoNoNo42
916x47 7x40 Shared25.849810.9245NoNoNoNo87
926x50 7x40 Shared24.023513.083NoNoNoNo97
936x50 7x37 Shared22.189115.2323NoNoNoNo96
947x31 NT.Q27 nk1_on013.5165NoYesNoYes44
957x31 7x32 nk1_on019.3712NoYesNoYes41
962x53 7x46 nk1_on0100YesYesNoNo79
972x53 7x42 nk1_on4.9036684.3023YesYesNoYes77
982x57 7x42 nk1_on071.8901YesYesNoYes67
992x57 Lig nk1_on069.7545YesYesYesYes60
1002x50 7x46 nk1_on9.9400696.1395YesYesNoNo99
1011x56 8x54 nk1_on4.2801411.2987NoYesNoYes86
1021x56 8x50 nk1_on9.6142221.8399NoYesYesYes89
1032x45 3x42 nk1_on1.2470342.6394NoNoNoNo98
1042x46 3x42 nk1_on043.6388NoYesNoNo98
1052x46 2x50 nk1_on2.3814329.1366NoYesYesYes99
1061x57 2x40 nk1_on2.570512.6312NoNoNoNo78
1072x37 2x40 nk1_on1.2872615.1364NoNoNoNo78
1082x37 2x39 nk1_on017.628NoNoNoNo78
1092x39 I2.R141 nk1_on020.0876NoNoNoYes85
1103x49 I2.R141 nk1_on013.6625NoNoNoYes95
1112x42 3x49 nk1_on014.6527YesYesNoNo79
1124x42 I2.R141 nk1_on013.5119NoNoNoYes75
1132x42 4x42 nk1_on9.5377919.5628YesYesNoNo77
1143x36 6x48 nk1_on1.7820517.2264NoNoYesYes78
1156x51 Lig nk1_on1.4642616.0035YesYesYesYes70
1167x34 7x38 nk1_on9.2159815.8027NoYesNoYes55
1177x34 Lig nk1_on014.566NoYesYesYes50
1182x64 E1x50 nk1_on9.7711110.596NoYesYesYes48
1192x64 Lig nk1_on010.9565NoYesYesYes40
1203x29 Lig nk1_on023.0446YesNoYesYes50
1214x61 E2x52 nk1_on0.50685915.0817YesYesYesNo64
1224x61 5x39 nk1_on4.9438826.7728YesYesYesYes66
1236x51 6x52 nk1_on6.0702417.8744YesYesYesYes77
1243x50 5x58 nk1_on062.5262NoNoNoYes99
1253x46 3x50 nk1_on063.3568NoNoNoNo99
1262x43 3x46 nk1_on064.2055NoNoNoNo89
1272x43 7x53 nk1_on1.6332165.0406NoNoYesNo89
1283x48 3x52 nk1_on014.1462NoNoNoNo55
1293x52 3x56 nk1_on015.5334NoNoYesYes56
1303x51 5x61 nk1_on028.7989YesYesNoYes88
1315x61 6x37 nk1_on046.6597NoYesNoYes88
1325x58 6x37 nk1_on6.3236755.6083NoYesNoYes98
1335x39 E2.W184 nk1_on1.0579715.2186YesYesYesYes65
1345x34 E2.H187 nk1_on015.0178NoNoNoNo12
1355x61 5x65 nk1_on018.0068NoYesNoNo88
1366x54 7x37 nk1_on017.3725NoYesNoNo46
1376x57 E3.Y278 nk1_on010.9108NoNoNoYes42
1386x54 E3.Y278 nk1_on014.5569NoYesNoYes42
1394x38 4x41 nk1_on2.5946310.1533NoNoNoNo74
1404x41 I2.L142 nk1_on3.8818911.5679NoNoNoNo46
1413x48 I2.L142 nk1_on012.7498NoNoNoNo56
1427x31 Lig nk1_on033.2892NoYesYesYes40
1432x53 3x36 nk1_on017.1534YesYesNoNo77
1447x38 7x42 nk1_on015.7981NoYesNoYes57
1452x46 7x49 nk1_on016.5556NoYesNoNo99

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
2x572x61Shared4.086678.1755111
2x573x31nk1_off6.0405112
2x573x32Shared7.64.895111
2x613x28Shared8.9266710.20111
2x64E1x50Shared8.0366710.130112
2x67E1x51nk1_off7.2607022
3x28E1x50nk1_off7.4066700112
3x273x31Shared12.14678.0355022
3x283x29nk1_off8.0800111
3x294x61nk1_off6.601111
3x294x65Shared5.463335.961112
3x29E2x52Shared6.614.2451111
3x32Lignk1_off11.423300110
3x334x61Shared5.495.491111
3x335x43nk1_off4.6101111
3x33LigShared7.316679.7051110
3x365x461nk1_off6.0566701011
3x366x48Shared6.034.291011
3x36Lignk1_off4.7866701010
3x373x41nk1_off18.046700022
3x375x461Shared3.7710.6750021
3x403x41nk1_off3.5933308122
3x406x44Shared10.46675.0258122
4x615x39Shared7.5133312.9651112
4x61LigShared19.21338.841110
4x65E2x52nk1_off4.6433301021
E2.E172E2.E183nk1_off3.8066700111
E2.R177E2.V179Shared3.486674.5750021
E2.E183E2x51nk1_off5.8600111
E2.W184E2x52Shared6.6533313.511021
E2x52Lignk1_off3.6433301010
5x36E2.W184Shared14.176717.450012
5x39E2.W184Shared5.4666710.610022
5x36Lignk1_off4.1866700010
5x395x43Shared5.886676.940021
5x405x44nk1_off3.6533301012
5x406x56nk1_off4.7166701012
5x406x59Shared6.5333314.1551012
5x40Lignk1_off13.996701010
5x43Lignk1_off3.7101010
5x446x52Shared9.1266710.951021
5x446x56Shared5.403335.161022
5x4616x52Shared3.976674.641011
5x461Lignk1_off5.2566701010
5x476x52Shared6.896679.2550021
6x446x48Shared10.35677.0150121
6x486x51Shared8.6866710.521111
6x487x41Shared5.186675.8351112
6x487x45Shared6.586674.941112
6x48Lignk1_off5.6066701110
6x516x52Shared3.774.5251111
6x516x55Shared8.9333311.2551111
6x517x41Shared4.623334.8551112
6x51LigShared19.11335.5951110
6x52Lignk1_off5.5033301010
6x546x55Shared8.933339.110121
6x547x34Shared7.563339.80121
6x55LigShared18.5611.951110
E3.L279E3.Y278nk1_off8.9866700012
7x347x38Shared9.987.180112
2x573x27nk1_off4.8333305112
4x61E2x52Shared4.116674.81111
2x623x28nk1_off3.7700021
2x64E1x51nk1_off4.6333300112
3x334x57Shared3.253.251112
5x335x36Shared3.158.7750021
4x565x43Shared2.983.7250021
5x36E2.E183nk1_off2.9600011
2x537x42Shared2.886675.0550022
E2.E183E2.T170Shared2.8211.2850112
2x68E2.R177Shared2.813338.440112
E2.E186E2.W184nk1_off2.5433300022
2x533x31nk1_off2.4866700022
5x405x41nk1_off2.2101012
2x677x31nk1_off2.0607021
E3.L277E3.L279nk1_off1.8466700021
2x657x34Shared1.333332.670021
E2.M174E2.R177nk1_off1.2400022
E3.K281E3.L277nk1_off0.9400022
NT.F25NT.N23nk1_on06.040112
E2.R177NT.N23nk1_on013.860022
NT.F25NT.Q24nk1_on011.710111
E3.K281NT.Q24nk1_on07.460021
LigNT.Q24nk1_on07.681101
2x68NT.F25nk1_on07.8550111
7x31NT.F25nk1_on08.7850111
LigNT.F25nk1_on014.471101
7x31NT.Q27nk1_on012.80112
7x32NT.Q27nk1_on03.840122
2x533x36nk1_on07.6050021
2x573x28nk1_on05.745111
2x577x38nk1_on03.5055112
2x577x42nk1_on03.5055112
2x603x28nk1_on013.1450121
2x617x34nk1_on06.3950111
2x617x38nk1_on04.910112
2x61Lignk1_on05.830110
2x642x68nk1_on05.2350111
2x64E2.V179nk1_on04.4150111
2x64Lignk1_on07.8550110
2x68Lignk1_on013.290110
3x283x32nk1_on06.8650111
3x29Lignk1_on05.4951110
3x313x32nk1_on05.785021
3x333x37nk1_on05.021112
3x374x56nk1_on09.7450022
3x406x48nk1_on05.8758121
E2.E172Lignk1_on04.890110
E2.V179Lignk1_on09.180110
E2x51Lignk1_on012.6850010
E2.E183Lignk1_on03.490110
5x366x59nk1_on09.540012
5x395x40nk1_on05.4450021
6x54E3.Y278nk1_on012.8950122
E3.L279Lignk1_on0110010
7x317x32nk1_on05.120112
7x31Lignk1_on04.6850110
7x34Lignk1_on011.8450110
7x387x42nk1_on06.50122
2x57Lignk1_on05.1355110
3x28Lignk1_on05.7750110
E2.E172E2.M174nk1_on03.3850112
3x415x461nk1_on02.428021
E2.E172E2.T173nk1_on02.1150112
5x416x56nk1_on01.430022
E2.E183E2.E186nk1_on00.6350112

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
nk1_off 6J20-NK1-Aprepitant
6HLL-NK1-CP99994
6E59-NK1-L-760735
nk1_on 8U26-NK1-Protachykinin-1-Gs/&β;1/&γ;2
7P00-NK1-Substance P-chim(NtGi1-Gs-CtGq)/&β;1/&γ;2
Network Difference
Value nk1_off nk1_on
Imin 3.48 3.46
Number of Linked Nodes 282 275
Number of Specific Nodes 11 (3.90%) 4  (1.45%)
Number of Shared Nodes 271 (96.10%) 271  (98.55%)
Number of Links 319 322
Number of Specific Links 129 (40.44%) 132  (40.99%)
Number of Shared Links 190 (59.56%) 190  (59.01%)
Number of Hubs 45 47
Number of Specific Hubs 24 (53.33%) 26  (55.32%)
Number of Shared Hubs 21 (46.67%) 21  (44.68%)
Average % Shared Neighbours (Jaccard) 48.05
Average % Shared Neighbours (Otsuka) 57.99
Average % Shared Neighbours (Overlap Coefficient) 67.58
Average % Shared Cliques (k3-6) 53.33
Graphlets Similarity 0.665193
Paths Difference
Value nk1_off nk1_on
Number Of Nodes in MetaPath 89 70
Specific Nodes in MetaPath 48 (53.93%) 29  (41.43%)
Shared Nodes in MetaPath 271 (96.10%) 271  (96.10%)
Number Of Links MetaPath 93 76
Specific Links in MetaPath 69 (74.19%) 52  (68.42%)
Shared Links in MetaPath 190 (59.56%) 190  (59.56%)
Number of Shortest Paths 66539 53261
Length Of Smallest Path 3 3
Average Path Length 13.9813 13.226
Length of Longest Path 34 37
Minimum Path Strength 0.523333 0.7975
Average Path Strength 5.84809 6.34686
Maximum Path Strength 19.1633 18.8675
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.915899 0.92027
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.44828 3.57143
Average % Of Corr. Nodes 42.428 47.638
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 44.9906 46.0462
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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