Orange: nodes, hubs and links specific of npy_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of npy_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 npy_off Avg Int. Strength npy_on Avg Int. Strength npy_off Num Of Links npy_on Num Of Links ConSurf
12x40 npy_off033.3333428
23x32 npy_off050436
33x41 npy_off250425
43x50 npy_off00439
54x65 npy_off500536
66x52 npy_off5033.3333427
76x58 npy_off250414
87x30 npy_off500534
97x47 npy_off00437
101x39 Shared7566.6667557
112x46 Shared0100459
12E1x50 Shared100100468
13I2 Shared7566.6667755
14E2 Shared10010011163
155x36 Shared066.6667444
165x47 Shared5033.3333448
176x44 Shared5033.3333449
186x48 Shared100100568
196x54 Shared10050654
20E3 Shared5083.3333473
217x38 Shared7566.6667545
227x53 Shared100100469
238x50 Shared7566.6667698
24Lig Shared10010013300
25NT Shared5033.3333460
261x50 npy_on066.6667349
272x42 npy_on5016.6667247
282x50 npy_on050359
292x53 npy_on033.3333247
302x57 npy_on083.3333367
31E1x52 npy_on5033.3333347
323x34 npy_on00245
333x43 npy_on033.3333348
343x49 npy_on2533.3333348
353x55 npy_on00347
364x61 npy_on5066.6667345
37E2x52 npy_on033.3333144
385x39 npy_on1000346
395x58 npy_on0100369
406x26 npy_on033.3333274
416x30 npy_on5033.3333247
427x52 npy_on033.3333248
   
Orange: nodes, hubs and links specific of npy_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of npy_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 npy_off Recurrence npy_on Recurrence npy_off Hub1? npy_on Hub1? npy_off Hub2? npy_on Hub2? ConSurf1 ConSurf2
16x52 Lig npy_off52.21550YesNoYesYes70
21x43 2x57 npy_off13.38834.20492NoNoNoYes67
33x39 6x44 npy_off50.8980NoNoYesYes99
42x50 3x39 npy_off49.04696.21674NoYesNoNo99
51x53 2x47 npy_off32.65293.11129NoNoNoNo99
61x53 7x53 npy_off31.63590NoNoYesYes99
72x40 7x53 npy_off22.31550YesNoYesYes89
82x40 8x50 npy_off17.01273.2692YesNoYesYes88
93x43 6x41 npy_off60.19840NoYesNoNo88
105x54 6x41 npy_off58.58530NoNoNoNo88
113x47 5x54 npy_off54.62520NoNoNoNo98
123x47 5x58 npy_off53.7862.81888NoNoNoYes99
135x58 6x37 npy_off50.36192.82473NoYesNoNo98
143x50 6x37 npy_off45.9510YesNoNoNo98
153x50 6x34 npy_off43.71670YesNoNoNo96
165x61 6x34 npy_off38.21860NoNoNoNo86
173x51 5x61 npy_off37.28930NoNoNoNo88
183x51 3x55 npy_off34.45634.78391NoNoNoYes87
193x56 I2 npy_off25.77210NoNoYesYes75
203x49 I2 npy_off12.93490NoYesYesYes85
212x38 3x49 npy_off10.79837.96538NoNoNoYes68
222x46 3x39 npy_off20.62720YesYesNoNo99
234x65 Lig npy_off27.2550YesNoYesYes60
244x65 E2x50 npy_off23.30990YesNoNoNo69
253x25 E2x50 npy_off14.02950NoNoNoNo99
263x25 E2 npy_off13.54111.76619NoNoYesYes93
273x40 6x44 npy_off12.11085.49155NoNoYesYes89
283x40 5x50 npy_off11.12897.363NoNoNoNo89
296x54 Lig npy_off16.22873.98269YesYesYesYes40
306x54 7x30 npy_off11.4320.0116966YesYesYesNo44
317x30 E3 npy_off14.66570.0175449YesNoYesYes43
326x58 Lig npy_off13.07521.80712YesNoYesYes40
336x58 7x30 npy_off11.13640YesNoYesNo44
341x39 2x61 Shared13.155316.2524YesYesNoNo76
351x39 7x38 Shared25.882323.7967YesYesYesYes75
367x38 Lig Shared34.616637.1718YesYesYesYes50
373x36 Lig Shared47.28684.9699NoNoYesYes70
383x36 6x48 Shared47.421390.0813NoNoYesYes78
396x48 6x52 Shared54.650211.7434YesYesYesNo87
406x44 6x48 Shared10079.0514YesYesYesYes98
411x50 2x50 Shared42.471845.5231NoYesNoYes99
421x50 2x47 Shared37.624918.5216NoYesNoNo99
433x43 6x44 Shared61.288100NoYesYesYes89
443x55 3x56 Shared27.818644.6049NoYesNoNo77
452x46 3x42 Shared16.479214.4219YesYesNoNo98
462x45 3x42 Shared14.853613.5447NoNoNoNo98
472x46 3x43 Shared21.268419.1473YesYesNoYes98
482x45 4x50 Shared11.587313.2347NoNoNoNo99
491x32 2x65 npy_on2.1691811.4977NoNoNoNo44
502x61 2x65 npy_on4.4535714.6792NoNoNoNo64
511x39 2x57 npy_on7.9828729.2649YesYesNoYes77
522x57 7x42 npy_on7.7023317.7437NoYesNoNo77
537x38 7x42 npy_on8.776913.9189YesYesNoNo57
541x42 2x57 npy_on012.4861NoNoNoYes77
551x50 2x51 npy_on012.3925NoYesNoNo97
562x46 2x50 npy_on046.6109YesYesNoYes99
572x50 7x49 npy_on011.3808NoYesNoNo99
583x43 7x49 npy_on012.3691NoYesNoNo89
592x50 7x46 npy_on6.8807543.0493NoYesNoNo99
602x54 7x46 npy_on5.7460642.9674NoNoNoNo69
612x54 2x57 npy_on043.061NoNoNoYes67
621x50 7x50 npy_on4.6063712.3925NoYesNoNo99
631x54 2x47 npy_on4.6063712.3925NoNoNoNo79
642x43 8x50 npy_on043.3183NoNoYesYes88
652x43 7x53 npy_on1.1497144.6459NoNoYesYes89
663x43 7x53 npy_on070.3491NoYesYesYes89
671x56 8x50 npy_on2.2969221.3872NoNoYesYes78
681x56 8x53 npy_on1.1547212.2288NoNoNoNo76
692x42 3x49 npy_on061.0504NoYesNoYes78
702x42 3x46 npy_on3.3163868.8929NoYesNoNo79
713x46 7x53 npy_on065.9512NoNoYesYes99
722x42 3x45 npy_on2.231812.6265NoYesNoNo77
733x32 Lig npy_on9.3404811.679YesNoYesYes60
743x28 3x32 npy_on010.4509NoNoYesNo56
75E2 Lig npy_on032.9142YesYesYesYes30
763x50 5x58 npy_on011.4334YesNoNoYes99
776x40 7x53 npy_on023.054NoNoYesYes89
783x49 3x53 npy_on1.1171553.1201NoYesNoNo88
793x52 3x56 npy_on1.0545345.8506NoNoNoNo47
803x52 I2 npy_on0.060115747.0788NoNoYesYes45
813x53 I2 npy_on051.9387NoNoYesYes85
826x26 6x30 npy_on016.8723NoYesNoYes47
835x68 6x26 npy_on033.2125NoNoNoYes64
845x64 5x68 npy_on4.258234.5985NoNoNoNo56
853x55 5x64 npy_on6.4524237.0548NoYesNoNo75
865x47 5x48 npy_on3.6545415.7845YesYesNoNo84
875x47 6x52 npy_on7.1612910.1819YesYesYesNo87
885x51 6x44 npy_on018.7672NoNoYesYes59
896x40 7x52 npy_on4.9946113.9423NoNoNoYes88
902x46 7x53 npy_on036.3764YesYesYesYes99
915x47 5x51 npy_on1.4853615.6208YesYesNoNo85

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
1x397x38Shared8.43754.356670021
2x563x32Shared6.48755.596670021
2x603x28npy_off4.4501112
2x607x38Shared6.502510.7251111
2x60LigShared4.98513.51331110
2x63E1x50Shared11.092512.05670112
E1x49E2Shared12.95754.093330121
3x25E1x50Shared5.54756.748331122
E1x50E2x50Shared5.553.2651122
3x22E2Shared12.44258.008331121
3x25E2Shared5.2555.018331121
3x25E2x50Shared7.287.281122
3x294x65Shared13.9858.340021
3x327x38npy_off4.942501111
3x32LigShared8.462510.6851110
3x334x57npy_off4.4200112
3x366x48Shared8.355.208330112
3x36LigShared8.4654.320110
3x375x461Shared11.21754.358330021
4x605x39Shared18.42759.968330021
4x615x39Shared7.2456.228330111
4x61LigShared7.50754.128330110
4x64E2Shared30.19512.86671121
4x65E2x50npy_off4.377500012
4x65E2x52Shared5.1956.313330011
4x65Lignpy_off4.1100010
E2E2Shared79.997597.26671111
E2E2x51Shared14.587.876671111
5x35E2Shared16.22751.186671121
5x36E2Shared10.6111.52331111
5x395x43npy_off9.38500111
5x406x59Shared9.82258.711111
5x40LigShared5.96257.576671110
5x446x52npy_off3.9500021
5x476x52Shared8.64510.23670021
6x486x52Shared5.8953.350121
6x516x55Shared7.42755.020021
6x517x34npy_off4.87500021
6x52Lignpy_off10.602500010
6x546x58npy_off12.062501111
6x547x30Shared4.92253.951111
6x547x33Shared6.493.5351112
6x547x34Shared8.57258.751671111
6x547x37npy_off4.262501112
6x55LigShared18.18515.07170110
6x587x30npy_off5.437501011
6x61E3Shared6.87756.280121
7x30E3Shared4.8454.346671111
7x277x30npy_off9.0900011
7x34LigShared10.632515.64331110
7x387x42Shared12.80256.568331112
7x38LigShared4.927.611110
NTNTShared9.027.808331111
7x28NTnpy_off5.547500011
2x67E2npy_off5.7200011
5x335x36npy_off4.1701021
5x33E3npy_off5.357501021
5x36E3npy_off6.487501111
6x54LigShared4.68753.206671110
6x58LigShared3.992520.26171010
6x59LigShared6.896.553331110
E2NTShared15.22255.383331111
3x334x61Shared3.655.408330111
2x533x32npy_off3.582500021
3x415x461npy_off3.28500021
2x647x31npy_off2.19500021
7x277x29npy_off2.192500012
3x264x65npy_off2.03500021
7x267x30npy_off1.72500011
5x365x37npy_off1.212501112
6x576x58npy_off0.65500021
E2Lignpy_on055.93171110
E2x51Lignpy_on06.418330110
LigNTnpy_on020.81171101
7x28Lignpy_on05.681670010
E3Lignpy_on013.14171110
7x31Lignpy_on010.82330010
7x30Lignpy_on09.078331110
2x63Lignpy_on020.2250110
E2x52Lignpy_on07.530110
5x39Lignpy_on03.416670110
3x33Lignpy_on03.233330110
5x43Lignpy_on05.493330110
5x461Lignpy_on07.890110
7x29NTnpy_on03.113330121
2x532x56npy_on04.523330022
2x537x42npy_on03.420022
2x63E2npy_on03.831670111
3x28E1x50npy_on03.758330022
E1x50E2npy_on03.138331121
3x283x32npy_on05.833330021
E2E2x50npy_on05.481671112
E2E2x52npy_on08.7851111
5x39E2npy_on04.083330111
5x435x461npy_on06.766670111
6x54E3npy_on03.053331111
4x614x65npy_on03.2350111
5x366x59npy_on06.233331111
6x57E3npy_on03.050021
2x533x36npy_on03.056670021
2x67Lignpy_on08.370010
3x223x26npy_on04.051122
5x36E2x52npy_on07.856671111
5x336x61npy_on04.486671022
5x36Lignpy_on05.856671110
E3E3npy_on06.226671111
7x27Lignpy_on05.860010
7x26Lignpy_on01.470010
5x435x46npy_on01.383330112
1x27NTnpy_on00.7266670021

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
npy_off npy2_off
npy1_off
npy_on npy2_on
npy4_on
npy1_on
Network Difference
Value npy_off npy_on
Imin 3.805 3.035
Number of Linked Nodes 260 269
Number of Specific Nodes 2 (0.77%) 11  (4.09%)
Number of Shared Nodes 258 (99.23%) 258  (95.91%)
Number of Links 280 317
Number of Specific Links 102 (36.43%) 139  (43.85%)
Number of Shared Links 178 (63.57%) 178  (56.15%)
Number of Hubs 25 33
Number of Specific Hubs 9 (36.00%) 17  (51.52%)
Number of Shared Hubs 16 (64.00%) 16  (48.48%)
Average % Shared Neighbours (Jaccard) 48.03
Average % Shared Neighbours (Otsuka) 57.36
Average % Shared Neighbours (Overlap Coefficient) 66.96
Average % Shared Cliques (k3-6) 52.44
Graphlets Similarity 0.564099
Paths Difference
Value npy_off npy_on
Number Of Nodes in MetaPath 47 55
Specific Nodes in MetaPath 21 (44.68%) 29  (52.73%)
Shared Nodes in MetaPath 258 (99.23%) 258  (99.23%)
Number Of Links MetaPath 48 58
Specific Links in MetaPath 33 (68.75%) 43  (74.14%)
Shared Links in MetaPath 178 (63.57%) 178  (63.57%)
Number of Shortest Paths 62980 44281
Length Of Smallest Path 3 3
Average Path Length 14.7966 11.3072
Length of Longest Path 35 28
Minimum Path Strength 0.745 0.381667
Average Path Strength 5.86004 5.66686
Maximum Path Strength 23.2113 35.7875
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.924136 0.934298
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.57143 4.54545
Average % Of Corr. Nodes 48.4703 61.2186
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 36.0335 47.0705
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 npy_off_on.zip<



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