Orange: nodes, hubs and links specific of alpha1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of alpha1_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 alpha1_off Avg Int. Strength alpha1_on Avg Int. Strength alpha1_off Num Of Links alpha1_on Num Of Links ConSurf
11x42 alpha1_off00417
21x47 alpha1_off00416
31x52 alpha1_off00427
42x53 alpha1_off5050438
53x39 alpha1_off250519
63x41 alpha1_off250436
73x51 alpha1_off5050538
85x54 alpha1_off00438
9I3 alpha1_off5001003
107x34 alpha1_off00414
118x54 alpha1_off250427
126x27 alpha1_off500410
131x39 Shared00447
141x60 Shared250546
15I1x50 Shared2575468
162x42 Shared7550558
172x50 Shared25100459
182x66 Shared00445
19E1x50 Shared5075468
203x28 Shared7525455
213x49 Shared5050549
223x50 Shared5050649
23I2x53 Shared10075547
24I2x57 Shared050546
25E2 Shared100100894
265x39 Shared7525548
275x47 Shared75100468
286x44 Shared10050559
296x48 Shared100100688
306x51 Shared10025657
316x52 Shared50100567
32E3 Shared7550963
337x39 Shared050446
347x42 Shared100100677
357x49 Shared50100549
367x53 Shared5075549
37Lig Shared1001002090
381x50 alpha1_on00349
392x56 alpha1_on050248
403x43 alpha1_on050248
415x58 alpha1_on0100259
425x62 alpha1_on00245
436x49 alpha1_on00347
447x38 alpha1_on2550346
   
Orange: nodes, hubs and links specific of alpha1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of alpha1_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 alpha1_off Recurrence alpha1_on Recurrence alpha1_off Hub1? alpha1_on Hub1? alpha1_off Hub2? alpha1_on Hub2? ConSurf1 ConSurf2
12x54 2x57 alpha1_off21.36733.81176NoNoNoNo78
21x47 2x54 alpha1_off20.35871.90924YesNoNoNo67
31x43 1x47 alpha1_off13.12170NoNoYesNo56
47x49 7x53 alpha1_off18.14920YesYesYesYes99
51x53 7x53 alpha1_off12.84440NoNoYesYes99
61x53 8x54 alpha1_off11.56150NoNoYesNo97
76x48 7x42 alpha1_off18.61560YesYesYesYes87
83x39 6x44 alpha1_off33.6160YesNoYesYes99
93x39 7x49 alpha1_off24.62330YesNoYesYes99
103x40 6x44 alpha1_off76.16472.15126NoNoYesYes89
113x40 5x50 alpha1_off75.49334.52437NoNoNoNo89
123x41 5x50 alpha1_off72.74480YesNoNoNo69
133x41 4x53 alpha1_off69.63690YesNoNoNo68
143x38 4x50 alpha1_off66.94518.73277NoNoNoNo89
152x45 4x50 alpha1_off66.19184.38992NoNoNoNo99
162x45 4x46 alpha1_off64.66622.19832NoNoNoNo98
172x42 4x46 alpha1_off63.8940YesYesNoNo88
183x49 I2x57 alpha1_off32.21026.71597YesYesYesYes96
192x38 I2x57 alpha1_off27.69656.06387NoNoYesYes76
202x37 2x38 alpha1_off12.920NoNoNoNo77
213x49 3x50 alpha1_off24.20410YesYesYesYes99
223x28 Lig alpha1_off15.88920YesYesYesYes50
23E1x49 Lig alpha1_off12.27380NoNoYesYes40
243x36 Lig alpha1_off25.12451.1563NoNoYesYes60
253x36 6x48 alpha1_off25.55321.04874NoNoYesYes68
263x43 5x54 alpha1_off18.85830NoYesYesNo88
272x38 4x42 alpha1_off14.77020NoNoNoNo77
282x41 4x42 alpha1_off13.61660NoNoNoNo57
295x39 Lig alpha1_off12.03740YesYesYesYes80
30E2 Lig alpha1_off17.51560YesYesYesYes40
316x48 6x51 alpha1_off29.52150YesYesYesYes87
323x50 I3 alpha1_off20.66760YesYesYesNo93
33E3 Lig alpha1_off15.93650YesYesYesYes30
342x57 7x42 Shared23.365714.9445NoNoYesYes87
351x50 2x50 Shared10.587544.3092NoYesYesYes99
366x44 6x48 Shared10068.5782YesYesYesYes98
373x38 4x53 Shared67.692110.884NoNoNoNo88
382x42 3x49 Shared60.461460.7462YesYesYesYes89
392x37 2x40 Shared11.763246.3664NoNoNoNo78
403x43 6x44 Shared19.983628.3832NoYesYesYes89
413x47 5x54 Shared13.137577.6403NoNoYesNo98
423x47 5x57 Shared11.974427.6504NoNoNoNo96
436x51 Lig Shared26.596523.3412YesYesYesYes70
446x52 Lig Shared27.400243.3479YesYesYesYes70
456x48 6x52 Shared31.236243.0588YesYesYesYes87
461x39 7x39 alpha1_on6.1715912.6723YesYesYesYes76
477x39 7x42 alpha1_on6.3071316.4639YesYesYesYes67
482x53 7x42 alpha1_on9.91320.4908YesNoYesYes87
492x53 7x46 alpha1_on8.797217.4454YesNoNoNo89
502x50 7x46 alpha1_on8.4693917.2706YesYesNoNo99
511x46 1x50 alpha1_on011.395NoNoNoYes89
521x50 7x50 alpha1_on3.5522917.0151NoYesNoNo99
531x50 2x51 alpha1_on014.2118NoYesNoNo97
547x42 Lig alpha1_on055.0118YesYesYesYes70
555x461 6x52 alpha1_on0100NoNoYesYes67
563x37 5x461 alpha1_on1.2229798.5748NoNoNoNo76
573x37 3x41 alpha1_on088.2218NoNoYesNo76
583x41 4x49 alpha1_on1.2229783.5832YesNoNoNo66
593x45 4x49 alpha1_on082.0101NoNoNoNo76
602x42 3x45 alpha1_on1.115878.6824YesYesNoNo87
612x39 3x49 alpha1_on0.85103750.0908NoNoYesYes89
622x37 2x39 alpha1_on048.2487NoNoNoNo78
632x40 I1x50 alpha1_on8.2550639.3345NoNoYesYes88
641x60 I1x50 alpha1_on5.0085117.2235YesYesYesYes68
652x38 2x42 alpha1_on015.1866NoNoYesYes78
663x37 4x53 alpha1_on2.6760413.0218NoNoNoNo78
672x46 2x50 alpha1_on010.1311NoNoYesYes99
686x48 Lig alpha1_on059.6773YesYesYesYes80
692x50 7x49 alpha1_on3.7666328.6723YesYesYesYes99
706x48 7x45 alpha1_on025.5664YesYesNoNo89
717x45 7x49 alpha1_on021.7143NoNoYesYes99
722x60 3x28 alpha1_on1.903824.5916NoNoYesYes75
732x56 3x28 alpha1_on019.1059NoYesYesYes85
742x56 3x32 alpha1_on2.9092925.2639NoYesNoNo87
752x59 3x28 alpha1_on5.698812.8NoNoYesYes55
763x28 E1x50 alpha1_on7.0888224.9345YesYesYesYes58
775x43 Lig alpha1_on043.6975NoNoYesYes70
785x39 5x43 alpha1_on1.9132638.595YesYesNoNo87
795x39 E2 alpha1_on0.22379124.2084YesYesYesYes84
80E1x49 E2 alpha1_on014.5479NoNoYesYes44
812x66 E1x49 alpha1_on9.0146911.0992YesYesNoNo54
823x33 Lig alpha1_on9.421315.6975NoNoYesYes60
833x33 4x57 alpha1_on7.6246613.7815NoNoNoNo68
845x54 6x44 alpha1_on085.2437YesNoYesYes89
853x43 7x53 alpha1_on028.605NoYesYesYes89
863x47 5x58 alpha1_on053.5193NoNoNoYes99
873x51 5x57 alpha1_on9.6293325.2034YesNoNoNo86
883x51 3x55 alpha1_on2.4427915.2807YesNoNoNo87
893x55 3x56 alpha1_on1.2229712.7664NoNoNoNo76
906x51 6x55 alpha1_on3.8422746.6958YesYesNoNo77
915x40 6x55 alpha1_on1.9321740.5513NoNoNoNo67
925x40 6x59 alpha1_on0.96766137.4588NoNoNoNo65
935x47 6x52 alpha1_on7.5427141.6672YesYesYesYes87
945x47 6x49 alpha1_on3.413615.7916YesYesNoYes87
955x58 6x40 alpha1_on017.116NoYesNoNo98
965x58 6x37 alpha1_on039.0387NoYesNoNo90
975x62 6x37 alpha1_on020.6185NoYesNoNo50
985x62 5x66 alpha1_on1.2229710.8908NoYesNoNo55
995x61 6x37 alpha1_on017.1496NoNoNoNo90
1003x54 5x61 alpha1_on1.2229714.595NoNoNoNo89
1013x54 5x64 alpha1_on012.5378NoNoNoNo86
1026x59 6x60 alpha1_on034.3529NoNoNoNo55
1036x60 6x61 alpha1_on024.9479NoNoNoNo54
1046x61 E3 alpha1_on1.4026318.5748NoNoYesYes43
1057x33 E3 alpha1_on5.7366212.9277NoNoYesYes53
1067x52 7x53 alpha1_on012.8672NoNoYesYes89
1071x60 8x53 alpha1_on0.86994911.2672YesYesNoNo67
1087x48 7x52 alpha1_on010.3193NoNoNoNo68
1093x24 E1x52 alpha1_on012.8874NoNoNoNo55
1103x50 7x53 alpha1_on014.7227YesYesYesYes99
1118x49 I1x50 alpha1_on0.86994910.4202NoNoYesYes78
1122x60 7x42 alpha1_on024.7462NoNoYesYes77
1132x46 3x43 alpha1_on011.6504NoNoNoYes98
1143x43 7x49 alpha1_on010.9378NoYesYesYes89
1153x50 5x58 alpha1_on011.4756YesYesNoYes99
1166x51 6x52 alpha1_on0.27422326.3866YesYesYesYes77
1175x47 6x44 alpha1_on035.5765YesYesYesYes89
1183x32 Lig alpha1_on8.9421925.3176NoNoYesYes70

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
2x532x56alpha1_off6.70500022
2x563x32Shared5.4759.12750021
2x577x42Shared6.44759.96250021
2x593x28Shared13.02755.51250021
2x603x28Shared4.9454.6350121
2x63E1x50Shared4.00753.50751012
2x63Ligalpha1_off7.23501010
2x647x35Shared9.78757.4251012
2x647x39Shared6.544.9051012
2x64Ligalpha1_off4.512501010
E1x49E1x51Shared3.2321212
3x28E1x50Shared3.285.6251012
3x22E2Shared9.777.9651021
3x28Ligalpha1_off14.612501010
3x327x42Shared9.19510.631111
3x32LigShared10.962512.50751110
3x334x57Shared3.6354.03751012
3x33LigShared5.8211.961010
3x366x48Shared4.89755.8751111
3x36LigShared3.32758.12251110
3x406x44Shared7.22253.770122
4x605x39Shared4.86513.56250221
E2E2Shared43.8646.161211
5x36E2alpha1_off12.252501021
5x39E2Shared9.387511.33751211
5x395x43Shared11.4457.31251211
5x39Ligalpha1_off3.277501210
5x446x52Shared3.3652.770021
5x476x52Shared21.162519.290121
6x446x48Shared10.02255.7651121
6x486x51alpha1_off6.262501111
6x486x52Shared4.515.261111
6x487x41Shared10.918.79251112
6x516x52Shared6.70255.62751111
6x516x55Shared3.70754.66251112
6x517x38Shared6.7456.96751111
6x51LigShared8.577519.861110
6x52LigShared5.047.28751110
6x61E3Shared3.411.7250321
E3E3Shared6.07512.971311
7x34Ligalpha1_off6.49501010
7x387x42Shared7.45757.221111
7x38LigShared16.007514.1251110
7x397x42Shared3.3759.40751121
E3Ligalpha1_off3.8101310
E2Ligalpha1_off12.46501210
E2x51Ligalpha1_off7.297500010
7x31Ligalpha1_off5.512500010
E2x52Ligalpha1_off9.501010
E1x49Ligalpha1_off3.722501210
2x537x42Shared3.814.39250021
3x21E2alpha1_off3.477500021
6x447x45alpha1_off7.5501122
6x487x42alpha1_off4.097501111
7x34E3alpha1_off5.777501011
7x307x33Shared6.51251.620022
7x34E2x52alpha1_off5.24501011
6x57E3Shared4.9354.61750321
6x58E3Shared3.633.8750021
7x357x39alpha1_off4.0601022
7x33E3Shared3.092.211321
6x547x34alpha1_off3.022500021
3x223x26alpha1_off2.9901022
6x60E3alpha1_off2.8201021
3x29Ligalpha1_off2.702500010
6x517x37Shared2.534.58751112
4x645x39Shared2.174.10021
2x66E1x49Shared2.052511.430021
4x62E2alpha1_off1.757501021
2x563x28alpha1_on05.5150021
2x607x39alpha1_on04.0150122
2x607x42alpha1_on07.31250121
3x21E1x50alpha1_on03.51750022
3x406x48alpha1_on012.03750121
4x60E2alpha1_on011.1650221
4x645x36alpha1_on07.630022
E2E2x51alpha1_on010.671211
E2E2x52alpha1_on07.541211
5x43Ligalpha1_on06.3650010
5x476x44alpha1_on05.09250122
5x476x48alpha1_on04.010121
6x487x45alpha1_on09.88751112
6x48Ligalpha1_on05.83751110
6x547x37alpha1_on06.41250022
6x576x61alpha1_on04.08250322
7x307x31alpha1_on05.030021
7x42Ligalpha1_on08.21750110
5x4616x52alpha1_on03.30021
6x606x61alpha1_on03.2151022
4x565x43alpha1_on03.09750021
3x26E2alpha1_on02.71250221
7x347x38alpha1_on02.681011
4x624x64alpha1_on02.2551022
E1x49E2alpha1_on02.18751211
3x283x29alpha1_on00.651011

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
alpha1_off alpha1a_off
alpha1b_off
alpha1_on alpha1a_on
Network Difference
Value alpha1_off alpha1_on
Imin 3.125 3.4925
Number of Linked Nodes 264 253
Number of Specific Nodes 13 (4.92%) 2  (0.79%)
Number of Shared Nodes 251 (95.08%) 251  (99.21%)
Number of Links 289 276
Number of Specific Links 135 (46.71%) 122  (44.20%)
Number of Shared Links 154 (53.29%) 154  (55.80%)
Number of Hubs 37 32
Number of Specific Hubs 12 (32.43%) 7  (21.88%)
Number of Shared Hubs 25 (67.57%) 25  (78.13%)
Average % Shared Neighbours (Jaccard) 42.22
Average % Shared Neighbours (Otsuka) 50.94
Average % Shared Neighbours (Overlap Coefficient) 59.96
Average % Shared Cliques (k3-6) 77.68
Graphlets Similarity 0.513052
Paths Difference
Value alpha1_off alpha1_on
Number Of Nodes in MetaPath 45 79
Specific Nodes in MetaPath 16 (35.56%) 50  (63.29%)
Shared Nodes in MetaPath 251 (95.08%) 251  (95.08%)
Number Of Links MetaPath 45 85
Specific Links in MetaPath 33 (73.33%) 73  (85.88%)
Shared Links in MetaPath 154 (53.29%) 154  (53.29%)
Number of Shortest Paths 52756 44097
Length Of Smallest Path 3 3
Average Path Length 13.5266 12.3334
Length of Longest Path 30 31
Minimum Path Strength 0.545 0.585
Average Path Strength 5.52914 5.99339
Maximum Path Strength 14.7063 16.1838
Minimum Path Correlation 0.7025 0.7025
Average Path Correlation 0.91584 0.907
Maximum Path Correlation 0.9875 0.985
Minimum % Of Corr. Nodes 3.84615 3.7037
Average % Of Corr. Nodes 45.4338 45.2043
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 47.6132 41.2728
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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