Orange: nodes, hubs and links specific of alpha1a_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of alpha1a_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 alpha1a_off Avg Int. Strength alpha1a_on Avg Int. Strength alpha1a_off Num Of Links alpha1a_on Num Of Links ConSurf
12x53 alpha1a_off050438
23x22 alpha1a_off00435
33x37 alpha1a_off00437
43x39 alpha1a_off500519
53x41 alpha1a_off1000536
63x45 alpha1a_off00437
74x57 alpha1a_off00438
84x60 alpha1a_off5025437
95x70 alpha1a_off500405
107x45 alpha1a_off500439
117x56 alpha1a_off00417
128x54 alpha1a_off500427
131x60 Shared500546
14I1x50 Shared5075468
152x42 Shared10050658
162x50 Shared50100459
172x56 Shared050458
18E1x50 Shared100100568
193x28 Shared10025555
203x49 Shared5050449
213x50 Shared050449
22I2x53 Shared10075447
23I2x57 Shared050446
245x39 Shared10075548
255x47 Shared100100568
265x58 Shared50100659
276x44 Shared100100559
286x48 Shared100100688
296x51 Shared10050657
306x52 Shared50100467
317x38 Shared5050456
327x39 Shared050446
337x42 Shared100100787
347x49 Shared50100459
35Lig Shared1001002190
361x39 alpha1a_on00347
371x50 alpha1a_on00349
382x66 alpha1a_on00345
393x43 alpha1a_on075248
40E2.I175 alpha1a_on025245
415x62 alpha1a_on00045
426x49 alpha1a_on00347
436x61 alpha1a_on00344
44E3.F301 alpha1a_on00143
457x53 alpha1a_on0100359
   
Orange: nodes, hubs and links specific of alpha1a_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of alpha1a_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 alpha1a_off Recurrence alpha1a_on Recurrence alpha1a_off Hub1? alpha1a_on Hub1? alpha1a_off Hub2? alpha1a_on Hub2? ConSurf1 ConSurf2
17x53 8x50 alpha1a_off27.66890NoYesNoNo98
28x47 8x50 alpha1a_off19.21641.71432NoNoNoNo88
38x47 I3.T273 alpha1a_off17.69020NoNoNoNo86
47x56 I3.T273 alpha1a_off16.45240YesNoNoNo76
56x39 7x56 alpha1a_off12.11390NoNoYesNo77
66x48 7x42 alpha1a_off59.84460YesYesYesYes87
73x39 7x45 alpha1a_off32.82860YesNoYesNo99
83x39 7x49 alpha1a_off24.46420YesNoYesYes99
93x40 6x44 alpha1a_off1001.84088NoNoYesYes89
103x40 5x50 alpha1a_off99.41114.2973NoNoNoNo89
113x41 5x50 alpha1a_off98.81420YesNoNoNo69
123x41 4x53 alpha1a_off87.88610YesNoNoNo68
133x38 4x50 alpha1a_off88.89968.4853NoNoNoNo89
142x45 4x50 alpha1a_off88.17454.26279NoNoNoNo99
152x45 4x46 alpha1a_off87.44142.13427NoNoNoNo98
162x42 4x46 alpha1a_off86.70030YesYesNoNo88
171x56 8x53 alpha1a_off26.43519.37122NoNoNoNo87
181x56 8x54 alpha1a_off25.18937.26572NoNoYesNo87
191x52 8x54 alpha1a_off14.93415.55715NoNoYesNo77
202x39 3x50 alpha1a_off26.73960NoNoYesYes89
213x28 Lig alpha1a_off12.25010YesYesYesYes50
22E2.I175 Lig alpha1a_off14.10090NoYesYesYes50
23E2.I175 E2.P170 alpha1a_off12.60275.84479NoYesNoNo54
243x22 E2.P170 alpha1a_off10.7840YesNoNoNo54
253x49 I2x57 alpha1a_off19.94556.48335YesYesYesYes96
263x52 I2x57 alpha1a_off13.61627.68567NoNoYesYes56
273x48 3x52 alpha1a_off12.29020NoNoNoNo65
283x43 5x54 alpha1a_off22.35310NoYesNoNo88
295x37 Lig alpha1a_off28.58630NoNoYesYes40
305x36 5x37 alpha1a_off27.15621.95593NoNoNoNo64
315x36 E2.N179 alpha1a_off18.30310NoNoNoNo65
326x60 Lig alpha1a_off10.75990NoNoYesYes50
333x50 I3.L227 alpha1a_off23.45070YesYesNoNo93
345x71 I3.L227 alpha1a_off12.29020NoNoNoNo43
355x72 I3.L227 alpha1a_off10.71190NoNoNoNo63
367x34 Lig alpha1a_off14.1770NoNoYesYes40
376x54 7x34 alpha1a_off12.67080NoNoNoNo54
386x54 E3.P303 alpha1a_off11.07640NoNoNoNo54
396x44 7x45 alpha1a_off18.79980YesYesYesNo99
406x48 6x51 alpha1a_off44.43380YesYesYesYes87
411x39 7x39 Shared11.757412.2418NoYesYesYes76
427x39 7x42 Shared10.295216.2227YesYesYesYes67
432x53 7x42 Shared15.170523.9257YesNoYesYes87
442x53 7x46 Shared11.941720.5948YesNoNoNo89
452x50 7x46 Shared11.593220.1116YesYesNoNo99
467x49 7x53 Shared30.236820.8192YesYesNoYes99
476x48 7x45 Shared16.22835.2873YesYesYesNo89
486x44 6x48 Shared87.549669.5104YesYesYesYes98
493x38 4x53 Shared89.616610.5793NoNoNoNo88
502x42 3x49 Shared77.987460.2255YesYesYesYes89
512x39 3x49 Shared61.146549.4046NoNoYesYes89
522x37 2x39 Shared38.452947.5752NoNoNoNo78
532x37 2x40 Shared37.287245.7113NoNoNoNo78
542x40 I1x50 Shared36.113438.7275NoNoYesYes88
551x60 I1x50 Shared32.44416.9016YesYesYesYes68
561x60 8x53 Shared27.67311.0683YesYesNoNo67
577x42 Lig Shared51.33275.1711YesYesYesYes70
583x43 6x44 Shared23.606926.7733NoYesYesYes89
593x47 5x54 Shared17.257574.9698NoNoNoNo98
603x47 5x58 Shared14.86652.8792NoNoYesYes99
615x39 E2.N179 Shared16.508440.6604YesYesNoNo85
626x51 Lig Shared44.545929.2297YesYesYesYes70
632x57 7x42 alpha1a_on8.7449415.1355NoNoYesYes87
641x50 2x50 alpha1a_on7.230740.2175NoYesYesYes99
651x46 1x50 alpha1a_on4.1180910.3262NoNoNoYes89
661x50 2x51 alpha1a_on012.8804NoYesNoNo97
671x50 7x50 alpha1a_on2.1431715.4231NoYesNoNo99
686x52 Lig alpha1a_on049.0192YesYesYesYes70
695x461 6x52 alpha1a_on0100NoNoYesYes67
703x37 5x461 alpha1a_on1.3940698.5273YesNoNoNo76
713x37 3x41 alpha1a_on7.1746287.8962YesNoYesNo76
723x41 4x49 alpha1a_on083.1675YesNoNoNo66
733x45 4x49 alpha1a_on1.3940681.5682YesNoNoNo76
742x42 3x45 alpha1a_on5.540278.2143YesYesYesNo87
752x38 2x42 alpha1a_on5.540214.9341NoNoYesYes78
763x37 4x53 alpha1a_on2.435612.6618YesNoNoNo78
776x48 Lig alpha1a_on072.9909YesYesYesYes80
782x50 7x49 alpha1a_on8.6888630.2134YesYesYesYes99
797x45 7x49 alpha1a_on031.8357YesNoYesYes99
802x56 7x42 alpha1a_on029.5864YesYesYesYes87
812x60 3x28 alpha1a_on1.4581623.7991NoNoYesYes75
822x59 3x28 alpha1a_on3.3289319.0301NoNoYesYes55
832x59 E1x52 alpha1a_on014.3071NoNoNoNo55
843x28 E1x50 alpha1a_on6.3814437.1915YesYesYesYes58
85E1x50 E1x52 alpha1a_on3.1246214.3819YesYesNoNo85
865x43 Lig alpha1a_on058.9599NoNoYesYes70
875x39 5x43 alpha1a_on1.8627654.1794YesYesNoNo87
88E2.N179 E2.R166 alpha1a_on039.5674NoNoNoNo55
893x26 E2.R166 alpha1a_on034.3612NoNoNoNo65
903x22 3x26 alpha1a_on1.8627631.1684YesNoNoNo56
913x22 E2.I175 alpha1a_on027.6017YesNoNoYes55
92E2.D172 E2.I175 alpha1a_on018.4836NoNoNoYes35
93E2.D172 E2.T174 alpha1a_on1.8627616.6254NoNoNoNo31
94E1x49 E2.T174 alpha1a_on014.7558NoNoNoNo41
952x66 E1x49 alpha1a_on5.5722510.982NoYesNoNo54
963x33 Lig alpha1a_on015.3656NoNoYesYes60
973x33 4x57 alpha1a_on1.3940613.4844NoNoYesNo68
985x54 6x44 alpha1a_on082.4311NoNoYesYes89
993x43 7x53 alpha1a_on016.4011NoYesNoYes89
1003x47 5x57 alpha1a_on027.5211NoNoNoNo96
1013x51 5x57 alpha1a_on6.9062225.0762NoNoNoNo86
1023x51 3x55 alpha1a_on2.7841215.1815NoNoNoNo87
1033x55 3x56 alpha1a_on1.3940612.6791NoNoNoNo76
1047x38 7x42 alpha1a_on1.1056411.051YesYesYesYes67
1056x51 7x38 alpha1a_on1.4381311.4192YesYesYesYes76
1066x51 6x55 alpha1a_on4.7229958.4709YesYesNoNo77
1075x40 6x55 alpha1a_on2.3755252.5111NoNoNoNo67
1085x40 6x59 alpha1a_on1.1897649.5139NoNoNoNo65
1095x47 6x48 alpha1a_on010.4067YesYesYesYes88
1105x47 6x52 alpha1a_on4.5347139.4351YesYesYesYes87
1115x47 6x49 alpha1a_on3.8657215.6935YesYesNoYes87
1125x58 6x40 alpha1a_on015.2218YesYesNoNo98
1135x58 6x37 alpha1a_on034.8214YesYesNoNo90
1145x62 6x37 alpha1a_on018.3973NoYesNoNo50
1155x61 6x37 alpha1a_on015.2505NoNoNoNo90
1163x54 5x61 alpha1a_on6.6658712.9839NoNoNoNo89
1173x54 5x64 alpha1a_on5.5361911.1373NoNoNoNo86
1186x59 6x60 alpha1a_on046.5052NoNoNoNo55
1196x60 6x61 alpha1a_on7.4149737.4101NoNoNoYes54
1206x61 E3.F301 alpha1a_on1.8627628.1597NoYesNoYes43
121E3.F301 E3.P303 alpha1a_on022.0215NoYesNoNo34
1227x33 E3.P303 alpha1a_on7.4149712.6503NoNoNoNo54
1237x52 7x53 alpha1a_on019.6399NoNoNoYes89
1247x48 7x52 alpha1a_on6.3934615.7338NoNoNoNo68
1253x24 E1x52 alpha1a_on019.1049NoNoNoNo55
1263x50 7x53 alpha1a_on013.4787YesYesNoYes99
1278x49 I1x50 alpha1a_on1.3940610.3032NoNoYesYes78
1282x56 3x28 alpha1a_on2.5237440.879YesYesYesYes85
1292x60 7x42 alpha1a_on024.3456NoNoYesYes77
1306x48 6x52 alpha1a_on2.4155843.0248YesYesYesYes87
1316x51 6x52 alpha1a_on3.3489629.5173YesYesYesYes77
1325x47 6x44 alpha1a_on6.3293731.8242YesYesYesYes89
1333x32 Lig alpha1a_on1.4140924.012NoNoYesYes70
1342x56 3x32 alpha1a_on3.917822.7924YesYesNoNo87

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
2x532x56alpha1a_off4.4700022
2x563x28Shared3.6755.5150121
2x563x32Shared5.119.12750121
2x577x42Shared8.2059.96250021
2x593x28Shared3.0055.51250021
2x603x28Shared3.714.6350121
2x63E1x50Shared8.0153.50751012
2x63Ligalpha1a_off14.4701010
2x647x35Shared10.1257.4251012
2x647x39Shared5.454.9051012
2x64Ligalpha1a_off9.02501010
3x28E1x50Shared6.565.6251012
3x22E2.P170alpha1a_off6.48500022
3x28Ligalpha1a_off7.94501010
3x327x42Shared6.910.631111
3x32LigShared9.24512.50751110
3x334x57Shared4.044.03750012
3x36LigShared2.9458.12250110
3x406x44Shared8.1653.770122
E2.I175E2.P170Shared6.7754.23251012
E2.D172E2.T174Shared6.5056.5051012
5x395x43Shared6.367.31255421
5x416x60Shared6.093.350021
5x446x52Shared2.772.770021
5x476x44Shared3.225.09250122
5x476x52Shared20.89519.290121
6x446x48Shared7.0155.7651121
6x486x51alpha1a_off6.51501111
6x486x52Shared4.015.261111
6x487x41Shared9.158.79251112
6x487x45Shared3.399.88751112
6x516x52Shared3.7555.62751111
6x516x55Shared4.9754.66251112
6x517x38Shared3.756.96751111
6x51LigShared5.77519.861110
E3.D300E3.P299alpha1a_off4.02500021
7x34Ligalpha1a_off11.5701010
7x387x39alpha1a_off4.5101112
7x387x42Shared6.7057.221111
7x38LigShared23.12514.1251110
7x397x42Shared3.869.40751121
7x42LigShared3.378.21751110
E3.P299Ligalpha1a_off6.23501010
E2.E180Ligalpha1a_off7.82501010
5x37Ligalpha1a_off5.0501010
E2.I175Ligalpha1a_off13.45501010
E2x51Ligalpha1a_off11.59501010
7x31Ligalpha1a_off7.06500010
E2x52Ligalpha1a_off5.0901010
E1x49Ligalpha1a_off7.44501010
2x537x42Shared2.934.39250021
2x66E1x49Shared4.10511.430021
E2.E180E2x51alpha1a_off3.18501011
6x447x45alpha1a_off3.0201122
6x487x42alpha1a_off5.30501111
6x547x34alpha1a_off3.27500021
6x606x61Shared2.683.2151012
E1x49E1x51Shared2.6721012
6x517x37Shared2.624.58751112
6x60Ligalpha1a_off2.5101010
5x365x37Shared2.3553.930021
E2.D172Ligalpha1a_off2.2101010
3x29E2x52alpha1a_off0.8100021
2x567x42alpha1a_on03.47250121
2x607x39alpha1a_on04.0150122
2x607x42alpha1a_on07.31250121
3x33Ligalpha1a_on011.960010
3x366x48alpha1a_on05.8750111
3x406x48alpha1a_on012.03750121
E2.D172E2.I175alpha1a_on05.61011
E2.I175E2x51alpha1a_on03.7751011
E2.E180E2x52alpha1a_on06.83251011
5x43Ligalpha1a_on06.3650010
5x4616x52alpha1a_on03.30021
5x476x48alpha1a_on04.010121
6x48Ligalpha1a_on05.83751110
6x52Ligalpha1a_on07.28751110
6x547x37alpha1a_on06.41250022
7x307x31alpha1a_on05.030021
6x596x60alpha1a_on03.9650021
7x38E2x52alpha1a_on03.141111
4x565x43alpha1a_on03.09750021
7x347x38alpha1a_on02.681011
E1x49E2.T174alpha1a_on02.18751012
3x22E2.I175alpha1a_on01.880021
6x61E3.P299alpha1a_on01.80250521
3x283x29alpha1a_on00.651012

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
alpha1a_off 7YMJ-Alpha1A-Tamsulosin
8HN1-Alpha1A-Toxin AdTx1
alpha1a_on 7YMH-Alpha1A-Norepinephrine-chim(Gs-CtGq)/&β;1/&γ;2
7YM8-Alpha1A-Oxymetazoline-chim(Gs-CtGq)/&β;1/&γ;2
8THK-Alpha1A-A61603-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
8THL-Alpha1A-Epinephrine-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
Network Difference
Value alpha1a_off alpha1a_on
Imin 2.765 3.3
Number of Linked Nodes 275 268
Number of Specific Nodes 28 (10.18%) 21  (7.84%)
Number of Shared Nodes 247 (89.82%) 247  (92.16%)
Number of Links 293 291
Number of Specific Links 127 (43.34%) 125  (42.96%)
Number of Shared Links 166 (56.66%) 166  (57.04%)
Number of Hubs 35 33
Number of Specific Hubs 12 (34.29%) 10  (30.30%)
Number of Shared Hubs 23 (65.71%) 23  (69.70%)
Average % Shared Neighbours (Jaccard) 41.69
Average % Shared Neighbours (Otsuka) 49.47
Average % Shared Neighbours (Overlap Coefficient) 57.49
Average % Shared Cliques (k3-6) 79.63
Graphlets Similarity 0.519046
Paths Difference
Value alpha1a_off alpha1a_on
Number Of Nodes in MetaPath 61 85
Specific Nodes in MetaPath 25 (40.98%) 49  (57.65%)
Shared Nodes in MetaPath 247 (89.82%) 247  (89.82%)
Number Of Links MetaPath 62 94
Specific Links in MetaPath 40 (64.52%) 72  (76.60%)
Shared Links in MetaPath 166 (56.66%) 166  (56.66%)
Number of Shortest Paths 49949 55925
Length Of Smallest Path 3 3
Average Path Length 15.1759 12.8507
Length of Longest Path 40 32
Minimum Path Strength 0.6775 0.585
Average Path Strength 5.32224 5.89699
Maximum Path Strength 15.2033 16.1838
Minimum Path Correlation 0.7 0.7025
Average Path Correlation 0.925655 0.908962
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 3.125 3.33333
Average % Of Corr. Nodes 45.7575 44.1168
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 40.5392 41.4719
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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