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
11x31 peptide_off2.777784.34783531
21x39 peptide_off35.416739.8261437
31x50 peptide_off22.91678.69565439
42x41 peptide_off10.41672.17391435
53x31 peptide_off04.34783435
63x50 peptide_off55.55564.34783639
75x39 peptide_off29.861120.6522428
86x27 peptide_off00514
9Lig Shared10098.550717250
10NT Shared16.666733.9855585
111x60 Shared4.1666713.0435576
122x40 Shared8.3333311.6812449
132x42 Shared60.416748.1048568
142x50 Shared33.333372.7899559
15E1x50 Shared90.972266.1594658
16E1x52 Shared38.888923.456556
173x37 Shared27.083344.2029547
183x51 Shared5042.5028548
193x56 Shared4.166670556
20E2 Shared10095.652216193
215x58 Shared2575.2174469
226x48 Shared92.708392.5725658
23E3 Shared41.666761.44939113
247x49 Shared12.536.0569449
257x53 Shared35.763957.1015559
261x59 peptide_on00245
272x46 peptide_on2.7777823.4437249
283x33 peptide_on13.888926.8116346
29I2x57 peptide_on013.1522247
305x62 peptide_on04.34783146
316x26 peptide_on01.44928244
326x30 peptide_on01.44928248
336x51 peptide_on31.2540.8406347
348x50 peptide_on56.944428.6232350
35E1 peptide_on4.166678.26087140
   
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
11x35 1x39 peptide_off13.87280NoNoYesNo47
22x60 7x42 peptide_off42.61330NoNoNoNo77
31x35 7x35 peptide_off11.34441.20444NoNoNoNo45
41x39 7x39 peptide_off13.01175.23791YesNoNoNo77
56x48 Lig peptide_off1000YesYesYesYes80
62x60 Lig peptide_off43.2110.770281NoNoYesYes70
71x57 2x44 peptide_off15.93723.93544NoNoNoNo76
81x54 2x44 peptide_off18.3872.62946NoNoNoNo76
91x54 2x48 peptide_off19.59811.31648NoNoNoNo76
102x48 4x50 peptide_off20.80140NoNoNoNo69
112x45 4x50 peptide_off35.72814.14551NoNoNoNo99
122x45 3x42 peptide_off88.58097.37369NoNoNoNo98
133x43 6x44 peptide_off90.02010NoNoNoNo89
146x44 6x48 peptide_off91.82893.54679NoNoYesYes98
152x45 4x46 peptide_off69.7815.86114NoNoNoNo97
162x42 4x46 peptide_off69.03395.66157YesYesNoNo87
172x42 4x42 peptide_off13.2837.08659YesYesNoNo87
182x41 4x42 peptide_off12.1235.68257YesNoNoNo57
193x46 6x37 peptide_off57.05640NoNoNoNo98
207x49 7x53 peptide_off33.62040YesYesYesYes99
214x61 Lig peptide_off35.10283.74987NoNoYesYes70
224x61 5x39 peptide_off35.45283.17566NoNoYesNo78
235x39 E2 peptide_off29.20450YesNoYesYes83
24E1x50 E2 peptide_off21.82770YesYesYesYes83
25E1x50 E1x52 peptide_off11.82429.0368YesYesYesYes86
264x65 Lig peptide_off29.63310NoNoYesYes60
274x65 E2x52 peptide_off29.13771.29197NoNoNoNo65
28E2 E2x52 peptide_off28.16640.220581YesYesNoNo35
293x38 4x50 peptide_off15.52042.76951NoNoNoNo89
303x38 4x53 peptide_off13.01171.38651NoNoNoNo88
313x37 4x53 peptide_off11.74550YesYesNoNo78
323x51 5x61 peptide_off22.99160YesYesNoNo89
333x51 3x55 peptide_off11.24223.03561YesYesNoNo87
346x48 6x52 peptide_off17.99770YesYesNoNo87
355x47 6x52 peptide_off11.74559.15584NoNoNoNo87
361x42 7x39 peptide_off10.47150NoNoNoNo77
377x53 8x50 peptide_off23.30230YesYesNoYes90
383x54 5x61 peptide_off19.17741.20794NoNoNoNo99
398x50 8x54 peptide_off20.17220NoYesNoNo00
407x54 8x54 peptide_off16.82990NoNoNoNo80
413x54 5x65 peptide_off13.78240NoNoNoNo99
425x65 6x31 peptide_off12.52410NoNoNoNo96
437x54 8x51 peptide_off15.62660NoNoNoNo80
44E3 Lig peptide_off13.31458.4871YesYesYesYes30
451x39 2x57 Shared35.350613.8335YesNoNoNo77
462x57 7x42 Shared39.67620.584NoNoNoNo77
471x50 2x50 Shared10.471516.9707YesNoYesYes99
482x50 7x49 Shared17.549423.6756YesYesYesYes99
497x45 7x49 Shared49.667773.7159NoNoYesYes99
506x48 7x45 Shared51.563173.5128YesYesNoNo89
512x46 3x42 Shared89.068512.328NoYesNoNo98
522x46 3x43 Shared89.548220.9271NoYesNoNo98
531x57 2x40 Shared14.706526.1686NoNoYesYes79
541x60 I1x50 Shared10.082220.1919YesYesNoNo68
552x40 I1x50 Shared11.344421.0077YesYesNoNo98
562x42 3x46 Shared57.984425.1742YesYesNoNo89
575x58 6x37 Shared49.309914.3797YesYesNoNo98
585x58 5x61 Shared40.769120.8151YesYesNoNo99
597x38 Lig peptide_on1.0892215.9833NoNoYesYes60
607x38 7x42 peptide_on017.2578NoNoNoNo67
613x36 Lig peptide_on0.38142460.1975NoNoYesYes70
623x36 6x48 peptide_on0.7117360.5371NoNoYesYes78
632x53 7x42 peptide_on2.6621126.2246NoNoNoNo87
642x53 7x46 peptide_on028.2413NoNoNoNo89
652x50 7x46 peptide_on3.9833332.996YesYesNoNo99
663x43 7x49 peptide_on079.486NoNoYesYes89
673x43 7x53 peptide_on0100NoNoYesYes89
682x43 7x53 peptide_on1.2661744.1406NoNoYesYes89
692x43 7x54 peptide_on043.2268NoNoNoNo88
707x54 8x50 peptide_on040.1106NoNoNoYes80
711x57 8x50 peptide_on030.3141NoNoNoYes70
723x46 7x53 peptide_on020.8396NoNoYesYes99
732x63 Lig peptide_on014.2992NoNoYesYes50
742x63 E1x50 peptide_on2.2256313.6025NoNoYesYes58
75E2 Lig peptide_on020.8011YesYesYesYes30
763x33 Lig peptide_on6.7594715.4196NoYesYesYes60
773x50 7x53 peptide_on053.4085YesNoYesYes99
783x50 5x58 peptide_on058.0442YesNoYesYes99
793x47 5x58 peptide_on6.6021826.1791NoNoYesYes99
803x47 5x57 peptide_on025.1077NoNoNoNo96
813x51 5x57 peptide_on2.6621122.7828YesYesNoNo86
823x51 3x56 peptide_on011.3862YesYesYesYes86
836x51 6x52 peptide_on016.3825NoYesNoNo77
845x62 6x37 peptide_on013.1368NoYesNoNo68
856x40 7x53 peptide_on013.9316NoNoYesYes99
866x51 7x41 peptide_on012.0969NoYesNoNo77
872x42 4x45 peptide_on1.3330211.4422YesYesNoNo86
885x61 5x65 peptide_on018.4587NoNoNoNo99
895x65 6x30 peptide_on016.428NoNoNoYes98
90Lig NT peptide_on011.2531YesYesYesYes05
914x41 4x45 peptide_on010.4968NoNoNoNo76
922x54 7x46 peptide_on2.6621110.3953NoNoNoNo79
932x46 2x50 peptide_on021.7569NoYesYesYes99
946x48 7x41 peptide_on1.3330212.223YesYesNoNo87

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
2x60LigShared6.580976.631951010
3x29LigShared5.876535.428661110
3x32LigShared12.64685.591051110
3x33LigShared4.681945.78041110
4x61LigShared5.384723.300221110
6x51LigShared6.016396.578511110
6x55LigShared11.5918.30861110
6x58LigShared6.328687.990851010
7x34LigShared5.3392410.35451110
7x38LigShared5.227675.226210110
NTNTShared7.638443.650741111
1x357x35Shared3.746634.476360022
2x607x42peptide_off4.0301401012
2x63E1x50Shared6.522994.903860112
E1x49E2Shared7.955945.371981121
E1x50E2peptide_off3.7462801121
3x22E2Shared9.560145.938661121
3x294x65Shared8.840498.592961111
3x366x48Shared7.434834.371011111
3x406x44peptide_off6.4629900022
4x615x39Shared5.167993.129281112
4x64E2Shared9.787858.405131121
4x65E2x52Shared4.049035.279511011
E2E2Shared54.914848.58461111
E2E2x51Shared8.96678.442441111
E2E2x52Shared5.75174.813911111
5x36E2Shared8.27847.559820021
5x35E2Shared8.967786.31441121
5x39E2peptide_off3.9331601021
5x395x43peptide_off5.0450301021
5x406x59Shared6.453095.147531012
6x446x48Shared12.72628.137130021
6x486x52peptide_off4.7170801012
6x487x41Shared8.12175.014771012
6x487x45Shared6.377747.861551012
6x516x55Shared6.398446.467731111
6x547x34Shared6.084066.069920021
E3E3Shared6.557478.482641111
1x352x64peptide_off3.6715300021
3x334x61Shared5.708375.850391111
3x36LigShared4.242083.997811110
4x65Ligpeptide_off3.7774701010
E2NTShared3.990876.307391111
6x48Ligpeptide_off4.4799301010
7x30E3Shared3.679972.693081021
3x334x57Shared3.549933.553781112
6x517x37peptide_off3.5197901112
6x57E3Shared3.444653.088691021
6x576x61peptide_off3.3015601022
5x40Ligpeptide_off3.2268401010
2x563x32Shared3.183654.511120021
E3LigShared2.778968.587151110
7x317x35peptide_off2.4360800112
1x32E1peptide_off2.1720800121
5x345x35peptide_off2.1566300122
5x33E3peptide_off2.0293800021
2x67E1x49peptide_off1.909100022
5x32E2peptide_off1.7547900021
7x277x30peptide_off1.5739600012
6x586x62peptide_off1.3840301012
7x26E3Shared1.215382.465991121
7x24NTShared1.184031.063040021
7x28NTpeptide_off1.0627400021
6x63E3Shared0.8520830.3267831021
7x25E3peptide_off0.71722200021
5x31E2Shared0.4665280.8813760021
1x277x32peptide_off0.38388900022
1x247x27peptide_off0.36472200121
5x29E2peptide_off0.33361100021
2x68E2Shared0.23750.3027540021
1x221x25peptide_off0.11416700021
2x63Ligpeptide_on05.190870110
2x64Ligpeptide_on03.119790110
E2Ligpeptide_on017.18691110
E2x51Ligpeptide_on05.951760110
E2x52Ligpeptide_on04.472881110
6x516x52peptide_on03.989091112
6x517x41peptide_on03.55071112
6x61E3peptide_on04.895790021
7x347x38peptide_on04.14821111
7x387x42peptide_on04.133740112
2x647x35peptide_on03.269220112
5x43Ligpeptide_on04.672880010
7x31Ligpeptide_on07.299140110
LigNTpeptide_on03.562371101
E1Ligpeptide_on03.755420110
3x406x48peptide_on04.268730021
E2E3peptide_on03.325181111
3x333x37peptide_on03.094131112
6x547x37peptide_on03.087490022
5x406x55peptide_on02.841081011
7x32NTpeptide_on02.084220121
7x287x32peptide_on02.058190022
7x27Ligpeptide_on01.99940010
5x325x35peptide_on01.861230022
2x67E2peptide_on01.76620021
1x32NTpeptide_on01.635580121
5x34E2peptide_on01.456820121
6x62E2peptide_on01.366670021
5x335x34peptide_on00.6540130022
7x257x26peptide_on00.6086520022
5x27E2peptide_on00.3926090121
5x29E3peptide_on00.2898910021
5x28E2peptide_on00.2577540121
3x29Ca5peptide_on00.2495221112
2x69E1peptide_on00.2241010021
1x25Ligpeptide_on00.1938040010
1x24NTpeptide_on00.1919570121
3x20E1peptide_on00.1732320021
1x277x31peptide_on00.1396740021
6x65E3peptide_on00.09521740021
2x70E1peptide_on00.005652170021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
peptide_off cck_off
angiotensin_off
bombesin_off
endothelin_off
ghrelin_off
npy_off
opioid_off
orexin_off
somatostatin_off
tachykinin_off
vasop-oxy_off
neurotensin_off
peptide_on cck_on
angiotensin_on
apelin_on
bombesin_on
bradykinin_on
compl-peptide_on
endothelin_on
formylpeptide_on
galanin_on
ghrelin_on
kisspeptin_on
melanocortin_on
motilin_on
neuromedin-u_on
npy_on
neurotensin_on
opioid_on
orexin_on
relaxin_on
somatostatin_on
tachykinin_on
trh_on
vasop-oxy_on
Network Difference
Value peptide_off peptide_on
Imin 3.66285 3.11257
Number of Linked Nodes 309 334
Number of Specific Nodes 4 (1.29%) 29  (8.68%)
Number of Shared Nodes 305 (98.71%) 305  (91.32%)
Number of Links 319 354
Number of Specific Links 125 (39.19%) 160  (45.20%)
Number of Shared Links 194 (60.82%) 194  (54.80%)
Number of Hubs 25 27
Number of Specific Hubs 8 (32.00%) 10  (37.04%)
Number of Shared Hubs 17 (68.00%) 17  (62.96%)
Average % Shared Neighbours (Jaccard) 43.06
Average % Shared Neighbours (Otsuka) 50.91
Average % Shared Neighbours (Overlap Coefficient) 59.03
Average % Shared Cliques (k3-6) 80.00
Graphlets Similarity 0.340911
Paths Difference
Value peptide_off peptide_on
Number Of Nodes in MetaPath 58 49
Specific Nodes in MetaPath 29 (50.00%) 20  (40.82%)
Shared Nodes in MetaPath 305 (98.71%) 305  (98.71%)
Number Of Links MetaPath 58 50
Specific Links in MetaPath 44 (75.86%) 36  (72.00%)
Shared Links in MetaPath 194 (60.82%) 194  (60.82%)
Number of Shortest Paths 48990 55711
Length Of Smallest Path 3 3
Average Path Length 14.2843 12.0399
Length of Longest Path 30 24
Minimum Path Strength 0.548264 0.312011
Average Path Strength 4.88222 4.35938
Maximum Path Strength 10.424 12.3734
Minimum Path Correlation 0.700729 0.700047
Average Path Correlation 0.901728 0.901492
Maximum Path Correlation 0.986111 0.987306
Minimum % Of Corr. Nodes 3.57143 4.7619
Average % Of Corr. Nodes 39.1703 44.2072
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 29.9091 35.4216
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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