Orange: nodes, hubs and links specific of peptide_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of peptide_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 peptide_off Avg Int. Strength peptide_on Avg Int. Strength peptide_off Num Of Links peptide_on Num Of Links ConSurf
11x39 peptide_off37.530.5758436
22x38 peptide_off16.66670416
33x31 peptide_off02.27273435
43x49 peptide_off8.333331.51515428
53x50 peptide_off43.05564.54545539
65x39 peptide_off26.388915.5303425
75x64 peptide_off00435
86x32 peptide_off4.166670437
97x32 peptide_off00422
10NT Shared16.666724.8106652
111x31 Shared2.777784.54545554
121x60 Shared4.1666712.1212685
132x40 Shared8.3333310.8788467
142x41 Shared00445
152x42 Shared71.388950.9943567
162x50 Shared30.555667.6082459
17E1x50 Shared90.277869.4129658
18E1x52 Shared34.722229.4169547
193x37 Shared27.083331.9805446
203x51 Shared34.027851.7045447
213x56 Shared4.166670646
22E2 Shared10095.454515183
236x48 Shared92.638987.5189768
246x51 Shared38.888945.6136646
256x52 Shared33.333332.8409448
26E3 Shared41.666766.28791092
277x53 Shared39.722268.9394469
28Lig Shared10098.484816260
291x33 peptide_on00145
302x46 peptide_on2.7777816.2121249
313x33 peptide_on22.222216.5043345
32I2x57 peptide_on012.5246
335x47 peptide_on44.722221.5162348
345x58 peptide_on2579.7321368
355x65 peptide_on00248
366x30 peptide_on02.27273256
376x40 peptide_on8.333332.27273248
387x42 peptide_on57.638946.2662346
397x49 peptide_on8.3333320.0152359
407x54 peptide_on00247
418x50 peptide_on42.361130.7359348
42E1 peptide_on07.27273140
   
Orange: nodes, hubs and links specific of peptide_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of peptide_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 peptide_off Recurrence peptide_on Recurrence peptide_off Hub1? peptide_on Hub1? peptide_off Hub2? peptide_on Hub2? ConSurf1 ConSurf2
11x39 2x57 peptide_off42.43768.36394YesNoNoNo67
24x61 Lig peptide_off47.4340NoNoYesYes40
34x61 5x39 peptide_off47.81683.57917NoNoYesNo45
45x39 E2 peptide_off39.52020YesNoYesYes53
51x39 2x61 peptide_off10.42893.36253YesNoNoNo66
61x42 7x39 peptide_off12.440NoNoNoNo75
71x39 7x39 peptide_off15.45433.36253YesNoNoNo65
86x48 Lig peptide_off97.83380YesYesYesYes80
91x50 2x47 peptide_off32.37220NoNoNoNo98
101x54 2x48 peptide_off23.34871.27155NoNoNoNo76
112x48 4x50 peptide_off24.67170NoNoNoNo69
122x45 4x50 peptide_off29.86674.35779NoNoNoNo99
132x45 3x42 peptide_off93.02165.07676NoNoNoNo97
142x46 3x43 peptide_off98.08584.22279NoYesNoNo98
153x43 6x44 peptide_off98.4880NoNoNoNo89
166x44 6x48 peptide_off1003.66394NoNoYesYes98
172x41 4x42 peptide_off13.68065.54457YesYesNoNo57
182x38 4x42 peptide_off15.10061.06433YesNoNoNo67
192x38 3x49 peptide_off18.22630YesNoYesNo68
202x42 3x49 peptide_off66.83795.10816YesYesYesNo78
212x42 4x46 peptide_off77.9213.10508YesYesNoNo77
222x45 4x46 peptide_off78.68192.81624NoNoNoNo97
233x49 3x50 peptide_off52.10560YesNoYesNo89
241x53 7x53 peptide_off29.8280NoNoYesYes99
25E1x50 E2 peptide_off14.84370YesYesYesYes83
263x41 4x49 peptide_off11.7815.32793NoNoNoNo67
273x42 4x49 peptide_off13.21067.0924NoNoNoNo77
283x46 6x37 peptide_off13.81150NoNoNoNo88
295x61 6x34 peptide_off46.23210NoNoNoNo86
303x50 6x34 peptide_off46.98810YesNoNoNo96
313x54 5x61 peptide_off19.35551.81784NoNoNoNo88
325x44 6x52 peptide_off15.39625.00769NoNoYesYes58
336x51 6x52 peptide_off10.18178.95733YesYesYesYes68
346x51 Lig peptide_off11.4328.12533YesYesYesYes60
357x53 8x50 peptide_off24.01260YesYesNoYes98
361x35 1x39 peptide_off18.02760NoNoYesNo56
375x65 6x31 peptide_off13.81630NoYesNoNo85
383x54 5x65 peptide_off15.23140NoNoNoYes88
398x50 8x54 peptide_off21.76880NoYesNoNo86
406x58 E3 peptide_off16.86940NoNoYesYes52
416x58 Lig peptide_off18.98720.860256NoNoYesYes50
427x54 8x54 peptide_off12.72110NoYesNoNo76
437x54 8x51 peptide_off11.34480NoYesNoNo78
441x35 7x35 peptide_off15.04728.81605NoNoNoNo54
451x31 7x35 peptide_off12.51270YesYesNoNo44
462x57 7x42 Shared51.257614.9446NoNoNoYes76
472x60 7x42 Shared54.669312.728NoNoNoYes76
482x60 Lig Shared55.178112.8536NoNoYesYes70
491x50 2x50 Shared38.454115.4187NoNoYesYes99
502x50 7x49 Shared44.293725.8422YesYesNoYes99
517x45 7x49 Shared49.89187.4415NoNoNoYes99
526x48 7x45 Shared52.06287.0145YesYesNoNo89
531x53 2x47 Shared31.126734.3349NoNoNoNo98
541x60 I1x50 Shared12.255919.7231YesYesNoNo57
552x40 I1x50 Shared14.213720.4735YesYesNoNo77
561x57 2x40 Shared17.959829.0289NoNoYesYes77
571x57 2x44 Shared19.316730.1027NoNoNoNo75
581x54 2x44 Shared22.01631.1701NoNoNoNo75
592x46 3x42 Shared97.673913.0514NoYesNoNo97
602x42 3x46 Shared15.182920.9727YesYesNoNo78
615x58 6x37 Shared12.798618.0968NoYesNoNo88
623x51 5x61 Shared28.587422.6963YesYesNoNo78
633x51 3x55 Shared17.964623.9208YesYesNoNo77
646x48 6x52 Shared23.135411.8175YesYesYesYes88
655x47 6x52 Shared16.588312.0122NoYesYesYes88
667x38 Lig peptide_on1.1533813.2994NoNoYesYes50
677x38 7x42 peptide_on013.852NoNoNoYes56
682x53 7x42 peptide_on3.1645324.7057NoNoNoYes76
692x53 7x46 peptide_on024.084NoNoNoNo78
702x50 7x46 peptide_on4.4875223.9082YesYesNoNo98
713x36 Lig peptide_on0.38284570.7293NoNoYesYes70
723x36 6x48 peptide_on0.89168971.2254NoNoYesYes78
737x49 7x53 peptide_on0100NoYesYesYes99
742x43 7x53 peptide_on1.4247645.5653NoNoYesYes89
752x43 7x54 peptide_on044.9719NoNoNoYes87
761x53 7x54 peptide_on035.3772NoNoNoYes97
771x54 2x47 peptide_on033.2862NoNoNoNo78
783x46 7x53 peptide_on017.2805NoNoYesYes89
792x63 Lig peptide_on015.3904NoNoYesYes50
802x63 E1x50 peptide_on1.5846914.571NoNoYesYes58
812x64 Lig peptide_on010.4863NoNoYesYes40
82E2 Lig peptide_on028.2503YesYesYesYes30
833x33 Lig peptide_on9.1155822.621NoYesYesYes50
843x33 3x37 peptide_on010.1943NoYesYesYes56
853x50 7x53 peptide_on035.6567YesNoYesYes99
863x50 5x58 peptide_on039.5121YesNoNoYes98
873x47 5x58 peptide_on7.4339755.0501NoNoNoYes98
886x40 7x53 peptide_on044.8495NoYesYesYes89
895x58 6x40 peptide_on036.9188NoYesNoYes88
903x47 5x57 peptide_on053.5431NoNoNoNo97
913x51 5x57 peptide_on2.9997650.2653YesYesNoNo77
923x55 3x56 peptide_on9.4305813.3528NoNoYesYes76
935x62 6x37 peptide_on016.2852NoNoNoNo58
945x61 5x65 peptide_on019.1203NoNoNoYes88
955x65 6x30 peptide_on012.7123NoYesNoYes86

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
NTNTShared7.900053.317891111
2x607x38peptide_off3.9312901111
2x607x42Shared4.469993.42831112
2x60LigShared6.07467.386771110
2x63E1x50Shared6.347995.046880112
E1x49E2Shared7.393495.762751121
E1x50E2peptide_off4.0482501121
3x22E2Shared9.031675.890841121
3x29LigShared6.408835.16791110
3x32LigShared12.67996.479971110
3x33LigShared4.458175.697671110
3x366x48Shared7.164654.35271111
3x36LigShared4.813173.712961110
3x406x44peptide_off6.1508200022
4x64E2Shared10.72477.785061121
E2E2Shared56.246148.1911111
E2E2x51Shared9.372978.710881111
E2E2x52Shared5.582134.118711111
5x35E2Shared10.05913.729611121
5x36E2Shared8.079157.389230121
5x39E2peptide_off4.0802201021
5x395x43peptide_off4.6513101021
5x406x59Shared5.731745.450941012
6x446x48Shared12.6017.81510021
6x486x51peptide_off3.7460701011
6x486x52Shared4.831833.448411012
6x487x41Shared8.869014.950621012
6x487x45Shared6.044748.267311012
6x48Ligpeptide_off4.7750401010
6x516x52Shared4.675073.806821112
6x516x55Shared6.562796.350071111
6x51LigShared6.530146.439911110
6x547x34Shared6.38755.558260021
6x55LigShared12.08447.925791110
7x34LigShared5.7396511.08681110
7x38LigShared5.127155.838281110
1x352x64peptide_off4.1681100021
E3E3Shared9.173678.690971111
6x58LigShared5.424728.796131010
E2NTShared4.705245.745491111
3x294x65Shared8.367617.132881112
3x334x57Shared3.694043.270461112
4x61Ligpeptide_off5.4573601010
4x65E2x52Shared4.178355.146630021
6x517x41Shared3.713573.74761112
3x334x61Shared5.956886.200771111
4x615x39Shared4.693742.975791012
6x57E3Shared3.514222.977480021
2x563x32Shared3.42044.813960021
1x357x35Shared3.340035.00890022
6x517x37peptide_off3.2466801112
6x61E3Shared3.155114.212640021
5x40Ligpeptide_off2.9639401010
7x30E3Shared2.699742.730351021
7x317x35peptide_off2.4827600012
6x58E3peptide_off2.3607401011
5x345x35peptide_off2.1454900122
5x32E2peptide_off1.9738900021
2x67NTpeptide_off1.7617500111
7x277x30peptide_off1.5757800012
E1E2peptide_off1.4590300111
7x267x30peptide_off1.4259200122
6x586x62peptide_off0.97194501012
7x28NTpeptide_off0.86743100021
5x29E3Shared0.8133330.751380021
7x24NTShared0.7077780.5790910021
7x25E3peptide_off0.65722200021
5x315x34peptide_off0.59173600022
1x247x27peptide_off0.36472200111
1x231x24peptide_off0.33833300021
2x68E2peptide_off0.31666700011
6x63E3peptide_off0.27145800021
5x28Ligpeptide_off0.152500110
6x64E3Shared0.07083330.2095450021
2x647x35peptide_on03.371740112
3x406x48peptide_on04.447230021
E2Ligpeptide_on017.5251110
5x43Ligpeptide_on04.516330010
7x31Ligpeptide_on06.860220010
7x347x38peptide_on03.414141111
7x387x42peptide_on03.742091112
6x547x37peptide_on03.25110022
E2x51Ligpeptide_on05.855940110
2x63Ligpeptide_on05.135650110
E3Ligpeptide_on07.233841110
7x27Ligpeptide_on03.712430010
LigNTpeptide_on04.025381101
2x64Ligpeptide_on03.241620110
E2x52Ligpeptide_on04.648851110
E1Ligpeptide_on03.452630110
3x333x37peptide_on02.899511112
5x366x59peptide_on02.240590122
5x325x35peptide_on02.169630022
7x26E3peptide_on01.894730121
2x67Ligpeptide_on01.887130110
1x322x67peptide_on01.619290021
5x34E2peptide_on01.538370121
5x31E2peptide_on01.34780021
6x62E2peptide_on00.8263640021
5x405x41peptide_on00.7929551012
1x23E2peptide_on00.7286360021
7x257x26peptide_on00.661250022
1x21E2peptide_on00.4268180021
5x28E2peptide_on00.4193180111
2x68Ligpeptide_on00.3020450010
6x596x63peptide_on00.2798860022
1x24Ligpeptide_on00.2704550110
5x27E2peptide_on00.2380030121
1x241x25peptide_on00.2123860112
3x20E1peptide_on00.1917420021
5x255x28peptide_on00.1286690021
2x70E1peptide_on00.005909090021
2x69E1peptide_on00.005424240021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
peptide_off opioid_off
angiotensin_off
bombesin_off
cck_off
endothelin_off
ghrelin_off
npy_off
nts_off
orexin_off
vasopressin-ot_off
tachykinin_off
sst_off
peptide_on opioid_on
angiotensin_on
bombesin_on
cck_on
endothelin_on
ghrelin_on
npy_on
nts_on
orexin_on
vasopressin-ot_on
tachykinin_on
sst_on
relaxin_on
trh_on
nmur_on
motilin_on
melanocortin_on
galanin_on
fpr-alx_on
compl-peptide_on
bradykinin_on
apelin_on
Network Difference
Value peptide_off peptide_on
Imin 3.68168 3.12175
Number of Linked Nodes 311 333
Number of Specific Nodes 6 (1.93%) 28  (8.41%)
Number of Shared Nodes 305 (98.07%) 305  (91.59%)
Number of Links 324 355
Number of Specific Links 130 (40.12%) 161  (45.35%)
Number of Shared Links 194 (59.88%) 194  (54.65%)
Number of Hubs 28 33
Number of Specific Hubs 9 (32.14%) 14  (42.42%)
Number of Shared Hubs 19 (67.86%) 19  (57.58%)
Average % Shared Neighbours (Jaccard) 42.34
Average % Shared Neighbours (Otsuka) 50.14
Average % Shared Neighbours (Overlap Coefficient) 58.77
Average % Shared Cliques (k3-6) 77.94
Graphlets Similarity 0.400362
Paths Difference
Value peptide_off peptide_on
Number Of Nodes in MetaPath 65 49
Specific Nodes in MetaPath 31 (47.69%) 15  (30.61%)
Shared Nodes in MetaPath 305 (98.07%) 305  (98.07%)
Number Of Links MetaPath 65 50
Specific Links in MetaPath 45 (69.23%) 30  (60.00%)
Shared Links in MetaPath 194 (59.88%) 194  (59.88%)
Number of Shortest Paths 44760 65654
Length Of Smallest Path 3 3
Average Path Length 14.5286 12.3652
Length of Longest Path 34 26
Minimum Path Strength 0.572431 0.350121
Average Path Strength 4.79777 4.41051
Maximum Path Strength 10.735 12.4571
Minimum Path Correlation 0.700194 0.700949
Average Path Correlation 0.900304 0.901425
Maximum Path Correlation 0.985764 0.987109
Minimum % Of Corr. Nodes 3.22581 4.34783
Average % Of Corr. Nodes 39.9654 41.915
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 30.2193 41.1861
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 peptide_off_on.zip<



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