Orange: nodes, hubs and links specific of cb2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cb2_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 cb2_off Avg Int. Strength cb2_on Avg Int. Strength cb2_off Num Of Links cb2_on Num Of Links ConSurf
1NT.P20 cb2_off3.6350407
21x49 cb2_off5.013.51944438
32x50 cb2_off5.9857.79222439
43x29 cb2_off4.60755.42778434
53x50 cb2_off4.9746.00778539
6E2.T173 cb2_off2.7153.38415
7E2.R177 cb2_off6.484.095433
85x68 cb2_off5.881.5427
96x28 cb2_off4.16252.02434
106x29 cb2_off4.8852.64778435
11E3.L273 cb2_off3.46254.01056431
128x50 cb2_off5.2154.35833438
138x53 cb2_off3.87252.85917427
142x40 Shared6.7856.67833868
152x46 Shared3.833.96967459
162x51 Shared2.944.03833447
172x61 Shared5.445.86767556
182x64 Shared6.69756.238453
193x25 Shared6.0984.244559
203x49 Shared6.94756.8025449
21I2x53 Shared7.586.03875447
22E2.W172 Shared7.1724.21533555
23E2.I186 Shared4.1543.584555
245x36 Shared4.1454.84417444
255x39 Shared7.834.90444467
265x43 Shared7.367.46917465
275x58 Shared5.6866.25555569
286x48 Shared4.7785.96722568
297x53 Shared4.5955.45238479
308x49 Shared8.2154.645446
31Lig Shared6.648.2498817140
32NT.M22 cb2_on12.442.24933157
331x32 cb2_on6.503332.71667345
341x42 cb2_on5.543.13033156
352x42 cb2_on5.323335.23583348
362x57 cb2_on6.7355.82306266
372x65 cb2_on6.896676.46792344
382x66 cb2_on4.482.78344
393x34 cb2_on4.603334.86792345
403x36 cb2_on7.135.157256
413x44 cb2_on4.282.89125246
423x56 cb2_on10.415.87433255
434x46 cb2_on6.334.56875248
444x50 cb2_on5.413334.469359
454x58 cb2_on5.143334.70792344
464x61 cb2_on1.853332.82917346
47E2.F183 cb2_on9.599.067356
485x50 cb2_on8.463.36042247
495x51 cb2_on3.775.04357
505x73 cb2_on00.4225040
516x30 cb2_on5.115.04375347
526x55 cb2_on4.394.28792246
537x34 cb2_on9.135.952254
547x47 cb2_on4.693334.10792346
557x52 cb2_on3.073.40375149
   
Orange: nodes, hubs and links specific of cb2_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of cb2_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 cb2_off Recurrence cb2_on Recurrence cb2_off Hub1? cb2_on Hub1? cb2_off Hub2? cb2_on Hub2? ConSurf1 ConSurf2
1NT.P20 NT.P21 cb2_off12.37750YesNoNoNo74
23x25 E2.P184 cb2_off19.2663.52563YesYesNoNo95
3E2.P184 NT.Y25 cb2_off16.53122.68108NoNoNoNo54
4NT.P20 NT.Y25 cb2_off13.76420YesNoNoNo74
52x64 3x25 cb2_off17.15693.97247YesYesYesYes39
66x58 E3.L273 cb2_off27.66380NoNoYesNo31
76x58 E2.L182 cb2_off29.40532.94919NoNoNoNo34
8E2.F183 E2.L182 cb2_off42.71163.12346NoYesNoNo64
93x25 3x29 cb2_off18.87254.27186YesYesYesNo94
103x29 Lig cb2_off16.65384.55784YesNoYesYes40
115x36 E2.I186 cb2_off17.26659.36592YesYesYesYes45
125x36 E2.C174 cb2_off10.59735.17003YesYesNoNo45
131x46 2x54 cb2_off10.67471.85442NoNoNoNo78
141x46 7x46 cb2_off18.15660NoNoNoNo79
152x50 7x46 cb2_off20.70431.83654YesNoNoNo99
162x46 2x50 cb2_off51.20610YesYesYesNo99
176x48 Lig cb2_off87.36450YesYesYesYes80
181x53 7x50 cb2_off10.67470NoNoNoNo99
198x50 8x53 cb2_off13.5320YesNoYesNo87
207x53 8x50 cb2_off56.97240YesYesYesNo98
216x40 7x53 cb2_off1001.42544NoNoYesYes89
226x40 7x49 cb2_off99.52920NoNoNoNo89
232x40 2x43 cb2_off45.59471.76505YesYesNoNo88
242x43 7x53 cb2_off46.03330NoNoYesYes89
252x40 8x49 cb2_off46.56220.134054YesYesYesYes86
268x49 I1x49 cb2_off23.710YesYesNoNo66
274x39 I1.R66 cb2_off10.06840NoNoNoNo37
28I1.R66 I1x48 cb2_off16.92474.26293NoNoNoNo75
29I1x48 I1x49 cb2_off20.32380NoNoNoNo56
302x45 4x50 cb2_off57.44976.64015NoNoNoYes99
312x39 2x40 cb2_off36.60990NoNoYesYes88
323x49 3x50 cb2_off65.80880YesYesYesNo99
332x40 6x33 cb2_off36.55830YesYesNoNo87
342x48 4x50 cb2_off18.5630NoNoNoYes79
352x48 2x52 cb2_off16.5570NoNoNoNo77
362x51 2x52 cb2_off10.44250YesYesNoNo77
373x25 E1.D101 cb2_off11.65510YesYesNoNo92
384x60 E2.T173 cb2_off29.30860NoNoYesNo55
394x60 E2.I186 cb2_off17.98890NoNoYesYes55
403x26 E2.T173 cb2_off13.15140NoNoYesNo55
413x44 3x48 cb2_off29.86332.92685NoYesNoNo66
423x48 3x52 cb2_off58.17210NoNoNoNo65
433x52 I2x56 cb2_off60.66820NoNoNoNo54
44I2x56 I2x57 cb2_off63.15140NoNoNoNo46
453x44 5x54 cb2_off27.21232.92685NoYesNoNo68
463x48 5x57 cb2_off27.21230NoNoNoNo66
473x50 6x30 cb2_off20.65920YesNoNoYes97
485x68 I3.M237 cb2_off14.78330YesNoNoNo74
496x30 I3.M237 cb2_off17.70511.68015NoYesNoNo74
504x60 5x39 cb2_off15.02192.48447NoNoYesYes57
515x39 Lig cb2_off24.93550YesYesYesYes70
52E2.I186 E2.S180 cb2_off13.08690YesYesNoNo54
537x34 E2.L182 cb2_off13.10632.59618NoYesNoNo44
543x55 5x64 cb2_off13.76424.86617NoNoNoNo66
555x58 6x41 cb2_off19.17573.33795YesYesNoNo97
565x54 6x41 cb2_off24.54850NoNoNoNo87
576x28 6x29 cb2_off10.3070YesNoYesNo45
586x29 8x49 cb2_off20.31730YesNoYesYes56
596x36 7x53 cb2_off11.80340NoNoYesYes89
606x44 7x45 cb2_off15.62820NoNoNoNo99
616x54 7x34 cb2_off11.413.36476NoNoNoYes44
62E2.F183 Lig cb2_off38.16439.28102NoYesYesYes60
632x39 3x50 cb2_off34.65560NoNoYesNo89
643x50 6x33 cb2_off34.81040YesNoNoNo97
652x64 NT.M26 Shared15.957219.2234YesYesNoNo36
66E1.H98 NT.M26 Shared10.752117.7979NoNoNoNo46
677x31 E2.E181 Shared11.4128.3882NoNoNoNo24
68E2.E181 E3.L273 Shared15.112219.0044NoNoYesNo41
692x61 Lig Shared15.589529.8539YesYesYesYes60
702x64 Lig Shared34.391151.4053YesYesYesYes30
71E2.I186 Lig Shared40.33815.9569YesYesYesYes50
722x46 3x43 Shared92.092412.1677YesYesNoNo98
733x43 6x44 Shared91.660257.8355NoNoNoNo89
746x44 6x48 Shared88.725543.1878NoNoYesYes98
751x49 7x50 Shared13.286912.9765YesNoNoNo89
761x50 7x50 Shared25.896513.1105NoNoNoNo99
771x50 2x50 Shared28.444322.0117NoNoYesNo99
782x46 7x49 Shared99.213128.1469YesYesNoNo99
792x40 I1x50 Shared10.43620.269YesYesNoNo88
802x40 8x50 Shared47.213613.6601YesYesYesNo88
812x42 3x49 Shared56.462875.1687NoYesYesYes89
822x42 4x46 Shared55.9533100NoYesNoYes88
832x45 4x46 Shared55.617937.4682NoNoNoYes98
843x38 4x50 Shared60.487614.7907NoNoNoYes79
853x38 4x53 Shared60.752114.8264NoNoNoNo78
863x37 4x53 Shared61.164915.2107NoNoNoNo68
873x37 5x43 Shared57.423910.1881NoNoYesYes65
885x43 Lig Shared64.409215.1705YesYesYesYes50
893x34 4x57 Shared12.725759.0509NoYesNoNo57
903x33 4x57 Shared10.545759.2699NoNoNoNo47
913x33 Lig Shared11.164949.3096NoNoYesYes40
925x47 5x51 Shared11.255216.9757NoNoNoYes77
935x43 5x47 Shared13.106311.971YesYesNoNo57
943x49 I2x57 Shared64.009364.842YesYesNoNo96
953x51 5x57 Shared24.548512.9452NoNoNoNo86
963x51 3x55 Shared21.871810.2105NoNoNoNo86
975x37 E2.S180 Shared11.255210.1122NoNoNoNo44
986x47 7x45 Shared13.054715.0811NoNoNoNo89
997x31 NT.I27 cb2_on9.5394731.4983NoNoNoNo25
1007x32 NT.I27 cb2_on5.759834.5994NoNoNoNo25
1017x32 NT.L28 cb2_on043.8491NoNoNoNo26
1022x65 NT.L28 cb2_on062.1073NoYesNoNo46
1032x64 2x65 cb2_on4.3214728.7904YesYesNoYes34
1041x32 E1.H98 cb2_on014.9202NoYesNoNo54
1051x31 NT.L28 cb2_on015.8586NoNoNoNo56
1061x31 7x36 cb2_on012.7039NoNoNoNo54
1071x42 7x42 cb2_on023.178NoYesNoNo66
1082x57 7x42 cb2_on024.4649NoYesNoNo66
1092x57 Lig cb2_on1.8188917.1545NoYesYesYes60
1102x61 2x65 cb2_on4.1150739.4522YesYesNoYes64
1111x42 7x47 cb2_on016.7434NoYesNoYes66
1122x50 7x49 cb2_on025.1665YesNoNoNo99
1137x45 7x49 cb2_on022.9143NoNoNoNo99
1146x48 7x45 cb2_on026.1719YesYesNoNo89
1153x36 6x48 cb2_on0.81914363.7249NoYesYesYes68
1163x36 Lig cb2_on1.3028951.6109NoYesYesYes60
1171x49 7x47 cb2_on0.37409713.3473YesNoNoYes86
1181x55 8x57 cb2_on016.7881NoNoNoNo56
1191x56 8x57 cb2_on019.706NoNoNoNo86
1201x56 8x53 cb2_on6.056526.3551NoNoYesNo87
1211x60 8x53 cb2_on6.095229.6617NoNoYesNo77
1221x60 I1x50 cb2_on4.4440136.6013NoNoNoNo78
1232x37 2x40 cb2_on3.3668736.6817NoNoYesYes68
1242x37 2x38 cb2_on061.9688NoNoNoNo65
1252x38 I2x57 cb2_on063.3808NoNoNoNo56
1264x46 4x50 cb2_on064.7705NoYesNoYes89
1273x34 4x50 cb2_on057.2814NoYesNoYes59
1288x49 I1x50 cb2_on019.5183YesYesNoNo68
1292x37 8x49 cb2_on0.077399423.8885NoNoYesYes66
1302x41 4x42 cb2_on017.7354NoNoNoNo47
1312x42 4x42 cb2_on2.4445319.4066NoYesNoNo87
1322x41 4x43 cb2_on3.4571716.1491NoNoNoNo41
1332x42 3x45 cb2_on010.7735NoYesNoNo86
1342x45 3x42 cb2_on8.4558843.59NoNoNoNo98
1352x46 3x42 cb2_on044.4792YesYesNoNo98
1363x43 7x53 cb2_on045.5069NoNoYesYes89
1373x34 4x58 cb2_on8.5332814.2321NoYesNoYes54
1382x60 Lig cb2_on1.7221411.0729NoNoYesYes40
1393x40 6x48 cb2_on021.2655NoNoYesYes88
1403x40 5x50 cb2_on5.6243531.4804NoNoNoYes87
1413x44 5x50 cb2_on014.5628NoYesNoYes67
1423x47 5x58 cb2_on015.0722NoNoYesYes99
1435x58 7x53 cb2_on058.5817YesYesYesYes99
1443x47 5x57 cb2_on013.9282NoNoNoNo96
1453x49 I2x53 cb2_on6.0887514.7728YesYesYesYes97
1463x54 5x61 cb2_on039.6041NoNoNoNo99
1475x61 6x37 cb2_on041.0966NoNoNoNo98
1485x58 6x37 cb2_on8.2752845.4131YesYesNoNo98
1493x52 I2x53 cb2_on010.6305NoNoYesYes57
1504x39 4x43 cb2_on014.6253NoNoNoNo31
1515x46 5x50 cb2_on3.7216211.3991NoNoNoYes57
1525x39 E2.W172 cb2_on8.0366419.2636YesYesYesYes75
1535x39 5x43 cb2_on022.8697YesYesYesYes75
1545x40 E2.S180 cb2_on012.619NoNoNoNo54
1555x40 6x55 cb2_on015.1169NoNoNoYes56
1565x43 6x55 cb2_on016.3993YesYesNoYes56
1575x69 6x30 cb2_on011.5778NoNoNoYes57
1585x69 6x29 cb2_on023.5221NoNoYesNo55
1596x29 6x33 cb2_on035.292YesNoNoNo57
1603x54 6x33 cb2_on036.6638NoNoNoNo97
1611x49 7x51 cb2_on8.0237410.769YesNoNoNo86
1621x53 7x54 cb2_on010.4786NoNoNoNo98
1637x54 8x50 cb2_on012.1945NoNoYesNo88
1641x55 8x61 cb2_on2.1542810.0988NoNoNoNo53
1655x68 6x29 cb2_on011.1042YesNoYesNo75
1665x69 5x73 cb2_on010.9388NoNoNoYes50
1672x57 2x61 cb2_on0.045149614.4421NoYesYesYes66
1682x57 3x36 cb2_on016.5825NoYesNoYes66
1692x46 7x53 cb2_on025.5507YesYesYesYes99
1703x33 5x43 cb2_on0.79334410.7377NoNoYesYes45
1715x51 6x44 cb2_on015.0945NoYesNoNo79
1723x40 5x51 cb2_on7.5141913.0435NoNoNoYes87

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
3x25NT.M22Shared12.443.318330122
E2.P184NT.Y25Shared23.6414.60170012
2x64NT.M26Shared9.956.011670112
1x352x61cb2_off3.9300021
1x392x61Shared4.193.260121
1x397x39Shared4.864.320122
2x572x61Shared3.225.5351111
2x57LigShared10.259.483331110
2x60LigShared3.163.760010
2x612x65Shared12.4413.19831112
2x61LigShared3.423.821671110
2x642x65Shared6.797.351670112
2x643x25Shared3.223.930112
2x64LigShared6.8310.7850110
3x253x29Shared3.776.280121
3x25E2.P184Shared8.675.053330121
3x29E2.F183cb2_off3.7701111
3x29E2.I186Shared5.893.4351111
3x29LigShared56.568331110
3x32LigShared5.223.880110
3x334x57Shared6.45.063331112
3x335x43Shared4.854.646671111
3x33LigShared5.1710.951110
3x366x48Shared4.017.6851111
3x36LigShared10.253.9951110
3x374x57cb2_off3.200122
3x375x43Shared3.646.063330121
3x405x51Shared3.935.678330122
4x59E2.W172Shared5.694.1751022
4x595x39cb2_off5.8601021
4x60E2.I186cb2_off3.3900021
4x605x39Shared12.5212.2850021
5x39E2.W172Shared9.654.661671112
E2.I186E2.S180cb2_off3.101112
E2.F183E2.L182Shared3.654.2651112
7x34E2.L182Shared14.619.1350112
E2.F183LigShared21.3526.8451110
5x36E2.I186Shared3.393.953331121
E2.I186LigShared53.336671110
5x39Ligcb2_off3.2901110
5x435x47Shared10.5711.74331112
5x43LigShared10.3813.50331110
6x446x48Shared4.563.230121
6x447x45cb2_off5.4900122
6x486x52cb2_off3.4201112
6x487x41Shared3.927.403331111
6x48Ligcb2_off7.9801110
6x517x41cb2_off3.4201011
6x51Ligcb2_off3.1301010
6x547x34Shared3.655.481670021
6x55Ligcb2_off5.9500010
7x38LigShared3.167.320110
7x41Ligcb2_off3.3401110
5x446x55Shared2.835.180021
5x475x51Shared2.514.6050122
5x42E2.W172cb2_off2.4700022
NT.M22NT.Y25cb2_on03.191670122
2x64NT.M22cb2_on03.111670112
2x533x36cb2_on03.928330021
2x573x32cb2_on04.586671111
2x573x36cb2_on04.823331111
2x577x38cb2_on04.623331111
2x577x42cb2_on05.886671112
2x603x28cb2_on05.8650012
3x367x41cb2_on05.353331111
3x375x47cb2_on03.293330122
3x406x48cb2_on03.0650121
5x36E2.W172cb2_on08.331671122
5x40E2.S180cb2_on030022
E2.F183E2.I186cb2_on03.768331111
6x55E2.F183cb2_on04.561670011
7x34E2.F183cb2_on05.8950111
E2.P184Ligcb2_on04.840010
5x39E2.I186cb2_on03.426671111
5x365x39cb2_on03.011671121
5x395x43cb2_on04.981671111
5x406x55cb2_on03.533330021
5x436x55cb2_on03.876671111
5x516x44cb2_on04.261670122
5x516x48cb2_on08.016670121
6x487x45cb2_on06.403331112
7x34Ligcb2_on06.410110
2x617x39cb2_on03.523331112
6x517x34cb2_on02.838331011
5x516x52cb2_on02.638330122
5x395x42cb2_on01.061112

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
cb2_off 5ZTY-CB2-AM10257
cb2_on 8GUS-CB2-HU-308-Gi1/&β;1/&γ;2
8GUT-CB2-LEI-102-Gi1/&β;1/&γ;2
8GUQ-CB2-Olorinab-Gi1/&β;1/&γ;2
8GUR-CB2-PubChem 104895-Gi1/&β;1/&γ;2
6KPF-CB2-PubChem 145915889-Gi1/&β;1/&γ;2
6PT0-CB2-WIN 55212-2-Gi1/&β;1/&γ;2
Network Difference
Value cb2_off cb2_on
Imin 3 2.97667
Number of Linked Nodes 258 290
Number of Specific Nodes 5 (1.94%) 37  (12.76%)
Number of Shared Nodes 253 (98.06%) 253  (87.24%)
Number of Links 285 328
Number of Specific Links 112 (39.30%) 155  (47.26%)
Number of Shared Links 173 (60.70%) 173  (52.74%)
Number of Hubs 31 42
Number of Specific Hubs 13 (41.94%) 24  (57.14%)
Number of Shared Hubs 18 (58.06%) 18  (42.86%)
Average % Shared Neighbours (Jaccard) 41.91
Average % Shared Neighbours (Otsuka) 51.38
Average % Shared Neighbours (Overlap Coefficient) 61.52
Average % Shared Cliques (k3-6) 52.78
Graphlets Similarity 0.583687
Paths Difference
Value cb2_off cb2_on
Number Of Nodes in MetaPath 94 97
Specific Nodes in MetaPath 38 (40.43%) 41  (42.27%)
Shared Nodes in MetaPath 253 (98.06%) 253  (98.06%)
Number Of Links MetaPath 98 108
Specific Links in MetaPath 64 (65.31%) 74  (68.52%)
Shared Links in MetaPath 173 (60.70%) 173  (60.70%)
Number of Shortest Paths 46894 66495
Length Of Smallest Path 3 3
Average Path Length 13.6086 13.4413
Length of Longest Path 31 32
Minimum Path Strength 1.1 0.29
Average Path Strength 5.45344 5.01632
Maximum Path Strength 16.465 17.3639
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.924288 0.925996
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.34783 3.57143
Average % Of Corr. Nodes 49.3217 48.8397
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 36.1497 42.0336
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 cb2_off_on.zip<



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