Orange: nodes, hubs and links specific of bb2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of bb2_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 bb2_off Avg Int. Strength bb2_on Avg Int. Strength bb2_off Num Of Links bb2_on Num Of Links ConSurf
11x43 bb2_off5.4623.21537
21x50 bb2_off6.74255.81429
31x60 bb2_off3.8154.82333436
42x38 bb2_off4.4923.20333537
53x39 bb2_off8.224.445429
63x41 bb2_off5.134.88333435
73x42 bb2_off5.1554.675428
84x50 bb2_off7.638.48833439
9E2.L181 bb2_off4.91753.17414
105x38 bb2_off5.396.42436
115x47 bb2_off7.2266.51667538
126x51 bb2_off4.62257.55833435
137x46 bb2_off5.9757.44438
148x50 bb2_off7.983.56667439
151x39 Shared10.15756.032457
162x42 Shared5.171674.185657
172x50 Shared8.03757.425459
182x64 Shared6.0256.70917464
19E1x50 Shared5.951438.60917768
203x30 Shared4.514.28375446
213x50 Shared6.84754.4125449
223x51 Shared8.598.1975448
234x61 Shared8.87255.369455
24E2.E186 Shared7.81256.9025463
25E2.Y199 Shared8.662511.132455
265x58 Shared7.7947.187558
276x48 Shared7.6347.5825548
286x55 Shared11.345.163455
29E3.Y291 Shared9.55759.955451
307x42 Shared7.374.0675447
317x45 Shared6.77.235449
327x54 Shared7.18757.0425447
338x54 Shared8.90258.04875447
34Lig Shared10.68699.9376613320
352x46 bb2_on5.765.441259
362x53 bb2_on5.2553.94875247
372x56 bb2_on4.585.513157
382x59 bb2_on2.924.27125146
392x60 bb2_on7.785.602256
40E1x52 bb2_on7.773337.34375347
413x28 bb2_on4.344.6245
423x29 bb2_on7.533337.00625345
433x32 bb2_on6.365.91346
443x37 bb2_on4.8653.54125246
45E2.H182 bb2_on2.813334.212351
46E2.F184 bb2_on2.4857.47417262
47E2.F193 bb2_on9.7555.61125241
485x34 bb2_on2.267.75625141
495x43 bb2_on7.196676.04625346
505x46 bb2_on4.393335.146356
515x60 bb2_on5.343333.29625343
525x61 bb2_on6.193.224358
535x70 bb2_on04.57125040
546x23 bb2_on03.805040
556x52 bb2_on6.956.09375347
567x30 bb2_on6.633334.999354
577x31 bb2_on10.056.25154
587x38 bb2_on10.156.86667165
597x49 bb2_on5.726677.474359
   
Orange: nodes, hubs and links specific of bb2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of bb2_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 bb2_off Recurrence bb2_on Recurrence bb2_off Hub1? bb2_on Hub1? bb2_off Hub2? bb2_on Hub2? ConSurf1 ConSurf2
11x42 7x42 bb2_off11.20030NoNoYesYes77
21x39 1x43 bb2_off28.40230YesYesYesNo77
31x43 2x54 bb2_off45.09440YesNoNoNo76
41x50 2x50 bb2_off22.2196.56257YesNoYesYes99
51x50 2x47 bb2_off12.86480YesNoNoNo99
62x50 7x49 bb2_off27.41186.94043YesYesNoYes99
76x40 7x49 bb2_off45.11190NoNoNoYes79
86x40 7x53 bb2_off34.36290NoNoNoNo79
97x53 8x50 bb2_off32.14160NoNoYesNo99
101x54 2x47 bb2_off11.48171.82818NoNoNoNo79
113x39 7x46 bb2_off39.96010YesNoYesNo98
123x39 6x44 bb2_off1000YesNoNoNo99
133x40 6x44 bb2_off88.19010NoNoNoNo89
143x40 3x41 bb2_off86.30884.92887NoNoYesNo85
153x41 4x49 bb2_off79.27561.65037YesNoNoNo57
163x42 4x49 bb2_off78.50780YesNoNoNo87
172x42 3x42 bb2_off71.94350YesYesYesNo78
182x38 2x42 bb2_off28.68950YesNoYesYes77
192x39 3x49 bb2_off17.11410NoNoNoNo88
202x40 I1x50 bb2_off13.19317.07935NoNoNoNo87
211x60 I1x50 bb2_off11.72785.27895YesNoNoNo67
223x49 3x50 bb2_off10.10430NoNoYesYes89
233x46 6x37 bb2_off38.99890NoNoNoNo98
243x50 6x37 bb2_off12.03260YesYesNoNo98
253x32 Lig bb2_off10.74325.97355NoYesYesYes60
261x39 2x57 bb2_off26.30990YesYesNoNo77
272x57 2x58 bb2_off25.09081.78373NoNoNoNo79
282x58 E1x52 bb2_off23.84830NoNoNoYes97
29E1x50 E1x52 bb2_off21.49816.71816YesYesNoYes87
30E1x50 E2.L181 bb2_off12.49560YesYesYesNo84
314x61 Lig bb2_off14.67592.93399YesYesYesYes50
323x33 4x61 bb2_off13.81430NoNoYesYes45
333x33 4x57 bb2_off12.31390NoNoNoNo47
343x30 4x57 bb2_off10.79599.53545YesYesNoNo67
353x39 7x45 bb2_off27.30040YesNoYesYes99
363x41 5x46 bb2_off10.70210YesNoNoYes56
375x58 6x37 bb2_off35.25381.56146YesYesNoNo88
383x50 3x53 bb2_off11.00110YesYesNoNo98
39E2.Y199 Lig bb2_off22.32450YesYesYesYes50
406x58 E2.Y199 bb2_off11.62230NoNoYesYes45
41E2.Y199 E3.Y291 bb2_off10.42671.47255YesYesYesYes51
425x35 Lig bb2_off11.12410NoNoYesYes30
43E3.S292 E3.Y291 bb2_off14.5880NoNoYesYes11
446x54 6x58 bb2_off10.31530.111136NoNoNoNo54
451x43 7x42 bb2_off12.53660YesNoYesYes77
462x50 3x39 bb2_off36.44942.53945YesYesYesNo99
472x54 7x46 Shared46.102414.6144NoNoYesNo68
488x50 8x54 Shared18.796216.5481YesNoYesYes97
492x38 3x49 Shared24.223420.9046YesNoNoNo78
502x37 2x39 Shared16.416615.9146NoNoNoNo88
512x37 2x40 Shared14.810714.1698NoNoNoNo88
522x42 3x46 Shared40.042234.2132YesYesNoNo79
536x44 6x48 Shared85.681671.7215NoNoYesYes98
546x48 Lig Shared81.3973100YesYesYesYes80
555x58 5x61 Shared25.858.7242YesYesNoYes88
563x51 5x61 Shared17.078953.6897YesYesNoYes88
576x55 Lig Shared11.839213.4808YesYesYesYes50
586x52 Lig Shared19.247412.3972NoYesYesYes70
595x47 6x52 Shared10.45613.3307YesNoNoYes87
607x54 8x54 Shared11.833321.866YesYesYesYes77
617x45 7x49 Shared21.046838.2641YesYesNoYes99
621x39 7x39 bb2_on018.9764YesYesNoNo75
632x57 7x42 bb2_on012.2861NoNoYesYes77
642x53 Lig bb2_on019.4321NoYesYesYes70
652x53 7x46 bb2_on2.8660220.0433NoYesYesNo78
661x46 2x54 bb2_on012.2583NoNoNoNo86
671x45 1x46 bb2_on2.8660215.0311NoNoNoNo68
681x45 7x51 bb2_on1.4359410.0633NoNoNoNo65
692x50 7x46 bb2_on9.0903816.8371YesYesYesNo98
706x48 7x45 bb2_on037.1694YesYesYesYes89
717x49 7x50 bb2_on037.4972NoYesNoNo99
725x51 6x44 bb2_on079.9733NoNoNoNo69
735x51 5x55 bb2_on078.6619NoNoNoNo65
745x55 6x41 bb2_on078.0118NoNoNoNo57
755x58 6x41 bb2_on074.2221YesYesNoNo87
763x50 5x58 bb2_on042.7262YesYesYesYes98
773x50 6x40 bb2_on038.6753YesYesNoNo97
786x36 6x40 bb2_on9.2544835.3745NoNoNoNo87
796x36 7x56 bb2_on6.8866533.6964NoNoNoNo87
806x32 7x56 bb2_on032.1905NoNoNoNo87
816x32 7x55 bb2_on030.5012NoNoNoNo86
827x54 7x55 bb2_on2.3854228.8008YesYesNoNo76
831x53 7x50 bb2_on042.3372NoNoNoNo99
841x53 2x43 bb2_on2.373740.0367NoNoNoNo98
851x56 8x50 bb2_on011.1303NoNoYesNo79
862x43 3x46 bb2_on039.2643NoNoNoNo89
872x42 3x49 bb2_on022.6161YesYesNoNo78
882x38 2x39 bb2_on017.6484YesNoNoNo78
893x36 Lig bb2_on047.116NoNoYesYes70
903x36 3x37 bb2_on038.5697NoNoNoYes76
913x37 4x53 bb2_on1.5590231.0013NoYesNoNo68
923x38 4x53 bb2_on029.5566NoNoNoNo78
933x38 4x50 bb2_on1.5590226.6337NoNoYesNo79
94E1x50 Lig bb2_on012.5417YesYesYesYes80
95E2.F184 Lig bb2_on019.6377NoYesYesYes20
96E2.F184 E3.Y291 bb2_on017.6595NoYesYesYes21
97E2.H182 E3.Y291 bb2_on015.4423NoYesYesYes11
983x34 4x50 bb2_on023.6664NoNoYesNo59
993x34 4x54 bb2_on011.0858NoNoNoNo54
1003x34 4x57 bb2_on011.0858NoNoNoNo57
1013x30 4x59 bb2_on6.1716112.7528YesYesNoNo64
1023x51 3x55 bb2_on4.7942843.5764YesYesNoNo87
1033x55 5x64 bb2_on3.2059537.5361NoNoNoNo75
104E2x52 Lig bb2_on2.6374413.3696NoNoYesYes40
105E2.Y199 E2x52 bb2_on0.1816912.5361YesYesNoNo54
1065x34 E2.Y199 bb2_on010.0967NoYesYesYes15
1075x47 6x49 bb2_on4.6536211.8582YesNoNoNo86
1085x64 5x67 bb2_on036.0024NoNoNoNo54
1095x67 5x70 bb2_on034.4577NoNoNoYes40
1105x70 6x31 bb2_on025.1222NoYesNoNo05
1116x27 6x31 bb2_on023.6886NoNoNoNo45
1126x23 6x27 bb2_on022.2327NoYesNoNo04
1137x45 7x48 bb2_on014.4143YesYesNoNo96
1147x30 Lig bb2_on010.4801NoYesYesYes40
1151x38 7x39 bb2_on014.2476NoNoNoNo65
1167x38 Lig bb2_on1.5062714.3365NoYesYesYes50
1177x42 Lig bb2_on019.371YesYesYesYes70
1183x46 3x50 bb2_on021.0602NoNoYesYes99

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
1x352x64Shared9.673.0250021
1x362x64bb2_off9.7400021
1x391x43bb2_off10.8803122
1x392x60Shared12.645.1753121
1x397x42Shared14.444.133121
1x427x42bb2_off6.2800021
1x437x42bb2_off7.5403021
2x533x35Shared6.0130112
2x537x46Shared4.54.50112
2x5513x28bb2_off4.5600022
2x563x32Shared4.5810.680111
2x63E1x50Shared650111
E1.D104E2.E186bb2_off10.3900111
E1x49E2.F193bb2_off4.2800021
E1x50E1x52Shared15.0315.032112
3x25E1x50Shared3.925.222121
E1x50E2.L181bb2_off4.5602112
E1x50E2x50Shared6.5317.632111
3x25E2.L181Shared4.763.172122
3x25E2x50Shared7.287.282121
3x283x32Shared4.124.120121
3x294x61Shared6.293.1451111
3x294x65Shared5.346.2351111
3x29LigShared10.9715.2551110
3x32LigShared10.384.540110
3x334x57bb2_off4.7300112
3x334x61bb2_off9.2800111
3x366x48bb2_off4.900111
4x615x38Shared3.697.391111
4x61LigShared16.234.9251110
4x65E2x52bb2_off5.3400111
E2.E186E2.S188Shared10.064.310112
E2.E186E2.T189Shared8.4715.520112
E2.Q191E2.T189bb2_off5.6700012
E2.F193E2.Q191bb2_off15.2300111
E2.Y199E2x52Shared5.5613.911111
E2x52LigShared15.5417.9351110
6x58E2.Y199bb2_off4.1200121
E2.Y199E3.Y291Shared11.9115.8851112
E2.Y199Ligbb2_off13.0601110
5x35E3.Y291bb2_off6.9500112
5x35Ligbb2_off8.2300110
5x385x42Shared4.186.971112
5x386x55Shared6.534.91111
5x38Ligbb2_off7.1601110
5x396x59Shared6.526.520122
5x426x55Shared7.633.181121
5x435x47Shared8.258.251122
5x436x52Shared6.799.6151121
5x476x52Shared7.625.441121
6x446x48Shared14.0313.030121
6x486x51bb2_off4.5201111
6x487x41bb2_off6.4801112
6x48LigShared8.244.031110
6x517x37bb2_off4.6901112
6x517x41Shared4.695.471112
6x51LigShared4.598.1651110
6x52LigShared6.445.091110
6x547x33Shared4.563.040122
6x556x59Shared5.096.9951112
6x55LigShared26.115.651110
7x30E3.D295Shared8.823.150112
7x307x33bb2_off4.1100112
7x307x34Shared6.976.970112
7x317x35Shared10.057.540112
7x38LigShared10.1511.7450110
1x322x64bb2_off3.5200021
2x592x60bb2_off2.9200121
3x21E1x50Shared2.812.810021
3x24E1x50bb2_off2.8100021
1x392x57bb2_off2.6703122
E2.F184E2.S195Shared2.644.620111
6x546x58Shared2.516.260122
E2.E186E2.F184bb2_off2.3300111
5x28Ligbb2_off1.8300010
5x285x31bb2_off1.6300012
E3.T296E3.V294bb2_off1.5900111
5x305x31bb2_off1.4900022
1x311x32bb2_off1.4300022
7x397x42bb2_off1.2200021
2x642x65bb2_off1.1700112
1x351x36bb2_on03.390022
1x351x39bb2_on06.0450022
1x397x38bb2_on03.093121
1x397x39bb2_on011.723122
1x432x57bb2_on03.253022
2x532x56bb2_on04.760111
2x567x42bb2_on04.890111
2x56Ligbb2_on05.5450110
2x577x42bb2_on04.160021
2x59E1x52bb2_on06.5550122
2x593x28bb2_on04.610122
2x593x32bb2_on04.30121
2x602x63bb2_on04.170111
2x602x64bb2_on09.1950111
2x607x38bb2_on04.760111
2x60Ligbb2_on04.710110
2x63Ligbb2_on015.30110
2x647x31bb2_on05.6750111
2x647x34bb2_on03.180112
2x647x35bb2_on04.230112
2x64Ligbb2_on014.950110
E1.D104E1x49bb2_on03.570112
E1.D104E2.F193bb2_on04.180111
E1.D104Ligbb2_on04.7150110
E1x50Ligbb2_on05.9652110
3x28E1x52bb2_on06.280122
3x283x29bb2_on03.390121
3x335x46bb2_on08.530112
3x33Ligbb2_on05.040110
3x363x37bb2_on03.680112
3x365x46bb2_on04.5850112
3x36Ligbb2_on05.510110
3x375x46bb2_on03.7650122
4x614x65bb2_on04.311111
4x61E2x52bb2_on07.0751111
4x65Ligbb2_on04.880110
5x28E2.H182bb2_on06.10012
E2.H182E3.Y291bb2_on03.270022
5x29E2.F184bb2_on09.6150121
E2.F184E3.Y291bb2_on07.7350112
E2.F184E3.V294bb2_on03.930111
E2.F184Ligbb2_on015.730110
E2.E186E3.T296bb2_on04.940111
E2.E186Ligbb2_on011.3450110
E2.F193Ligbb2_on010.3850110
E2.S195Ligbb2_on012.7250110
E2x50Ligbb2_on04.452110
5x34E2.Y199bb2_on07.620121
5x35E2.Y199bb2_on012.520111
6x59E2.Y199bb2_on05.7250121
5x285x30bb2_on03.560012
5x29E3.Y291bb2_on022.3250122
5x315x34bb2_on06.380022
5x345x35bb2_on04.580121
5x396x55bb2_on05.090121
6x447x45bb2_on06.040122
6x486x52bb2_on04.231111
6x487x45bb2_on09.041112
6x517x38bb2_on09.041111
6x547x38bb2_on05.6350121
6x57E3.D295bb2_on05.1750122
6x577x30bb2_on03.270121
6x587x30bb2_on07.90121
6x587x38bb2_on06.930121
E3.V294Ligbb2_on08.520110
E3.T296Ligbb2_on05.6250110
7x30Ligbb2_on03.7050110
7x31Ligbb2_on015.5350110
7x42Ligbb2_on03.093110
1x362x65bb2_on04.1050022
2x53Ligbb2_on03.5350110
E2.F184E2.F193bb2_on03.2150111
E2.E186E2.F193bb2_on04.6650111
E2.Q191Ligbb2_on04.090010
1x322x65bb2_on02.0750022
2x5512x56bb2_on01.690021
3x24E1x52bb2_on01.510022
1x317x31bb2_on01.260021
7x287x31bb2_on01.240021
E2.E186E2.E187bb2_on00.6350112

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
bb2_off 7W41-BB2-PD176252
bb2_on 7W40-BB2-Bombesin-chim(NtGi1L-Gq)/&β;1/&γ;2
7W3Z-BB2-Gastrin Releasing Peptide-chim(NtGi1L-Gq)/&β;1/&γ;2
Network Difference
Value bb2_off bb2_on
Imin 3.63 2.98
Number of Linked Nodes 270 288
Number of Specific Nodes 9 (3.33%) 27  (9.38%)
Number of Shared Nodes 261 (96.67%) 261  (90.63%)
Number of Links 278 341
Number of Specific Links 117 (42.09%) 180  (52.79%)
Number of Shared Links 161 (57.91%) 161  (47.21%)
Number of Hubs 34 45
Number of Specific Hubs 14 (41.18%) 25  (55.56%)
Number of Shared Hubs 20 (58.82%) 20  (44.44%)
Average % Shared Neighbours (Jaccard) 39.17
Average % Shared Neighbours (Otsuka) 48.23
Average % Shared Neighbours (Overlap Coefficient) 57.62
Average % Shared Cliques (k3-6) 51.89
Graphlets Similarity 0.562848
Paths Difference
Value bb2_off bb2_on
Number Of Nodes in MetaPath 60 74
Specific Nodes in MetaPath 26 (43.33%) 40  (54.05%)
Shared Nodes in MetaPath 261 (96.67%) 261  (96.67%)
Number Of Links MetaPath 61 72
Specific Links in MetaPath 46 (75.41%) 57  (79.17%)
Shared Links in MetaPath 161 (57.91%) 161  (57.91%)
Number of Shortest Paths 33345 47479
Length Of Smallest Path 3 3
Average Path Length 13.0645 11.9917
Length of Longest Path 31 31
Minimum Path Strength 1.405 1.0725
Average Path Strength 6.86461 5.69729
Maximum Path Strength 21.17 19.105
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.927095 0.934107
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.7619 4.16667
Average % Of Corr. Nodes 54.426 60.8322
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 42.526 41.6287
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 bb2_off_on.zip<



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