2OV2

the crystal structure of the human rac3 in complex with the crib domain of human p21-activated kinase 4 (pak4)

• Total interactions analyzed: 120
• Total true interactions: 31
• Strongest Interaction:
  • Chains: F-N
  • Int. Res.: 92
  • Norm. En. per Res.: -6.0462
• Hub Node: A(5)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	0.0	-24.8561	-68.1186	-92.9747	59	1	1	3211	1	46	49
A-D	-26.8065	-22.7393	-122.928	-172.4739	69	3	0	5219	4	19	23
A-E	0.0	-10.392	-72.8556	-83.2476	48	0	2	3031	0	10	3
A-I	-148.1515	-35.7516	-356.423	-540.3261	93	15	11	12148	2	11	8
A-J	0.0	-3.0124	-31.6284	-34.6408	26	1	0	1432	0	12	13
F-B	-20.1373	0.0	-78.7502	-98.8875	44	2	1	2929	0	0	2
F-H	0.0	-4.7059	-0.2555	-4.9614	8	0	0	61	0	5	1
F-J	0.0	0.0	-7.1893	-7.1893	14	0	0	462	0	0	1
F-N	-147.0483	-39.0502	-370.152	-556.2505	92	19	11	12695	3	13	8
B-C	-43.0917	-41.1062	-121.995	-206.1929	68	6	0	5183	5	18	21
B-E	0.0	0.0	-0.0222	-0.0222	6	0	0	12	0	5	1
B-I	0.0	-3.1133	-33.7434	-36.8567	29	1	0	1449	0	10	10
B-J	-149.3362	-40.5014	-366.965	-556.8025	94	16	11	12678	3	13	9
B-N	0.0	0.0	-1.1602	-1.1602	11	0	0	140	0	0	1
C-G	0.0	-8.4909	-69.5154	-78.0063	49	0	1	2982	0	11	3
C-D	0.0	0.0	-0.012	-0.012	5	0	0	12	0	0	2
C-K	-163.9267	-35.8351	-334.042	-533.8037	92	23	8	11592	2	11	8
G-D	0.0	0.0	-4.2184	-4.2184	13	0	0	416	0	1	4
G-K	-17.3927	7.9041	-49.2647	-58.7533	33	1	0	2135	0	5	11
G-O	-147.5295	-34.6302	-359.454	-541.6138	92	17	10	12429	2	11	8
D-L	-131.9133	-36.6724	-335.817	-504.4027	94	20	10	12090	3	13	9
D-O	0.0	0.0	-0.0684	-0.0684	5	0	0	27	0	2	2
E-H	0.0	36.999	-75.0301	-38.0311	55	3	1	3102	0	43	43
E-I	-10.8927	12.7357	-43.3421	-41.4991	33	1	0	1990	0	5	11
E-J	0.0	3.6109	-17.909	-14.2981	19	0	0	757	0	8	7
E-M	-146.6331	-37.2833	-359.844	-543.7604	94	14	10	12370	3	11	8
E-P	0.0	-2.7942	-30.6757	-33.4699	29	0	0	1499	0	10	10
H-M	0.0	-2.9731	-30.6	-33.5731	29	1	0	1423	0	10	9
H-N	0.0	-11.0642	-20.506	-31.5702	20	0	0	854	0	8	9
H-P	-119.6432	-36.1261	-326.605	-482.3743	92	14	9	11546	3	12	8
J-N	0.0	0.0	-0.0855	-0.0855	5	0	0	31	0	4	2

Interface residues

• A-B: ALA13A, ALA13B, ALA88A, ALA88B, ARG128A, ARG128B, ARG66A, ARG66B, ASP122A, ASP124A, ASP124B, ASP131A, ASP131B, ASP63A, ASP63B, ASP65A, ASP65B, GLN61A, GLN61B, GLU127A, GLU127B, GLU31A, GLU31B, GLU62A, GLU62B, GLY12A, ILE33A, ILE33B, LEU119A, LEU119B, LEU129A, LEU129B, LEU134A, LEU134B, LEU67A, LYS116A, LYS116B, LYS132A, LYS132B, LYS96A, LYS96B, PRO34A, PRO34B, PRO87A, PRO87B, SER86A, SER86B, THR125A, THR125B, THR35A, THR35B, TYR32A, TYR32B, TYR64A, TYR64B, VAL36A, VAL36B, VAL85A, VAL85B
• A-D: ALA135D, ALA144D, ALA146A, ALA175A, ALA3A, ALA88D, ALA95D, ARG102A, ARG130D, ARG147A, ARG147D, ARG174A, ARG94D, ASN52A, ASN92D, ASP131D, ASP76A, CYS105A, GLN141D, GLN2A, GLN74A, GLU100A, GLU127D, GLU148A, GLU148D, GLU91D, GLY142D, GLY150A, GLY178A, HIS103A, HIS104A, HIS107A, ILE110A, ILE126D, ILE137D, ILE149A, ILE173A, ILE4A, LEU129D, LEU134D, LEU143D, LEU177A, LYS132D, LYS133D, LYS5A, MET145D, MET1A, PHE82D, PHE90D, PRO106A, PRO109A, PRO136D, PRO140D, PRO87D, PRO99A, SER151A, SER86D, SER89D, THR108A, THR138D, THR75A, TYR139D, TYR98A, VAL101A, VAL152A, VAL176A, VAL51A, VAL77A, VAL93D
• A-E: ALA146E, ALA175E, ALA27A, ARG102E, ARG147E, ARG174E, ASN26A, ASN39A, ASN43A, ASP38A, ASP57A, ASP76E, CYS18A, GLN162A, GLU148E, GLU31A, GLY150E, GLY178E, GLY30A, HIS107E, ILE110E, ILE149E, ILE21A, ILE33A, LEU111E, LEU160A, LEU177E, LEU20A, LYS153E, MET145E, PHE28A, PRO106E, PRO109E, PRO29A, PRO99E, SER151E, SER22A, THR108E, THR17A, THR24A, THR25A, THR35A, TYR32A, TYR40A, TYR98E, VAL152E, VAL176E, VAL77E
• A-I: ALA13I, ALA172A, ALA175A, ALA42A, ALA59A, ARG174A, ARG20I, ARG66A, ARG68A, ASN16I, ASN26A, ASN39A, ASN43A, ASN52A, ASP170A, ASP26I, ASP38A, ASP47A, ASP57A, ASP63A, ASP65A, GLN162A, GLN27I, GLN30I, GLN38I, GLN40I, GLN61A, GLU10I, GLU171A, GLU18I, GLY178A, GLY24I, GLY34I, GLY48A, GLY54A, HIS19I, HIS22I, ILE11I, ILE173A, ILE21A, ILE33A, ILE43I, ILE4A, LEU165A, LEU177A, LEU20A, LEU35I, LEU42I, LEU53A, LEU55A, LEU67A, LEU70A, LYS166A, LYS31I, LYS49A, LYS5A, MET45A, PHE169A, PHE17I, PHE25I, PHE32I, PHE37A, PRO14I, PRO34A, PRO36I, PRO50A, PRO69A, PRO73A, SER12I, SER15I, SER22A, SER41A, SER41I, SER71A, THR167A, THR23I, THR24A, THR25A, THR33I, THR35A, THR58A, TRP39I, TRP56A, TYR23A, TYR40A, TYR64A, TYR72A, VAL21I, VAL36A, VAL44A, VAL46A, VAL51A, VAL7A
• A-J: ALA159A, ALA27A, ASP118A, ASP122A, ASP124A, ASP26J, CYS18A, GLN162A, GLN27J, GLN30J, GLU29J, GLU31A, GLY24J, GLY30A, HIS22J, HIS28J, LEU119A, LEU160A, LYS116A, LYS123A, PHE25J, PHE28A, PRO29A, THR125A, THR161A, TYR32A
• F-B: ALA3B, ALA3F, ASN39B, ASN52B, ASN52F, ASP76B, ASP76F, CYS6B, CYS6F, GLN2B, GLN2F, GLN74B, GLN74F, GLY54B, GLY54F, ILE4B, ILE4F, LEU53B, LEU53F, LEU70B, LYS49B, LYS49F, LYS5B, LYS5F, MET1B, MET1F, PRO50B, PRO50F, PRO73B, PRO73F, SER0B, SER0F, SER71B, THR108B, THR75B, THR75F, TRP56B, TRP56F, VAL176B, VAL176F, VAL51B, VAL77B, VAL77F, VAL7F
• F-H: ARG102H, GLU31F, GLY30F, HIS103H, ILE33F, PRO106H, PRO99H, TYR98H
• F-J: ARG37J, ASN43F, GLN38J, GLN40J, GLY48F, LEU42J, LYS49F, MET1F, MET45F, PRO36J, PRO50F, SER41J, TRP39J, VAL51F
• F-N: ALA13N, ALA172F, ALA175F, ALA42F, ALA59F, ARG174F, ARG20N, ARG66F, ARG68F, ASN16N, ASN26F, ASN39F, ASN43F, ASN52F, ASP170F, ASP26N, ASP38F, ASP47F, ASP57F, ASP63F, ASP65F, GLN162F, GLN27N, GLN30N, GLN38N, GLN40N, GLN61F, GLU10N, GLU171F, GLU18N, GLU44N, GLY24N, GLY34N, GLY48F, GLY54F, HIS19N, HIS22N, ILE11N, ILE173F, ILE21F, ILE33F, ILE43N, LEU165F, LEU177F, LEU20F, LEU35N, LEU42N, LEU53F, LEU55F, LEU67F, LEU70F, LYS166F, LYS31N, LYS49F, LYS5F, MET45F, PHE169F, PHE17N, PHE25N, PHE32N, PHE37F, PRO14N, PRO34F, PRO36N, PRO50F, PRO69F, PRO73F, SER12N, SER15N, SER22F, SER41F, SER41N, SER71F, THR167F, THR23N, THR24F, THR25F, THR33N, THR35F, THR58F, TRP39N, TRP56F, TYR23F, TYR40F, TYR64F, TYR72F, VAL21N, VAL36F, VAL44F, VAL46F, VAL51F, VAL7F
• B-C: ALA135B, ALA144B, ALA146C, ALA175C, ALA3C, ALA88B, ALA95B, ARG102C, ARG130B, ARG147B, ARG147C, ARG174C, ARG94B, ASN52C, ASN92B, ASP131B, ASP76C, CYS105C, CYS6C, GLN141B, GLN2C, GLN74C, GLU100C, GLU127B, GLU148B, GLU148C, GLU91B, GLY142B, GLY150C, GLY178C, GLY54C, HIS103C, HIS104C, HIS107C, ILE110C, ILE126B, ILE137B, ILE149C, ILE4C, LEU129B, LEU134B, LEU143B, LEU177C, LYS132B, LYS133B, LYS5C, MET145B, PHE82B, PHE90B, PRO106C, PRO109C, PRO136B, PRO140B, PRO87B, PRO99C, SER151C, SER86B, THR108C, THR138B, THR75C, TYR139B, TYR98C, VAL101C, VAL152C, VAL176C, VAL51C, VAL77C, VAL93B
• B-E: ARG102E, GLU31B, GLY30B, HIS103E, ILE33B, TYR98E
• B-I: ALA159B, ALA27B, ARG128B, ASP118B, ASP122B, ASP124B, ASP26I, CYS18B, GLN162B, GLN27I, GLN30I, GLU29I, GLU31B, GLY24I, GLY30B, HIS22I, HIS28I, ILE43I, LEU119B, LEU160B, LYS116B, LYS123B, PHE25I, PHE28B, PHE32I, PRO29B, THR125B, THR161B, TYR32B
• B-J: ALA13J, ALA172B, ALA175B, ALA42B, ALA59B, ARG174B, ARG20J, ARG66B, ARG68B, ASN16J, ASN26B, ASN39B, ASN43B, ASN52B, ASP170B, ASP26J, ASP38B, ASP47B, ASP57B, ASP63B, ASP65B, GLN162B, GLN27J, GLN30J, GLN38J, GLN40J, GLN61B, GLU10J, GLU171B, GLU18J, GLU44J, GLY24J, GLY34J, GLY48B, GLY54B, HIS19J, HIS22J, ILE11J, ILE173B, ILE21B, ILE33B, ILE43J, ILE4B, LEU165B, LEU177B, LEU20B, LEU35J, LEU42J, LEU53B, LEU55B, LEU67B, LEU70B, LYS166B, LYS31J, LYS49B, LYS5B, MET45B, PHE169B, PHE17J, PHE25J, PHE32J, PHE37B, PRO14J, PRO34B, PRO36J, PRO50B, PRO69B, PRO73B, SER12J, SER15J, SER22B, SER41B, SER41J, SER71B, THR167B, THR17B, THR23J, THR24B, THR25B, THR33J, THR35B, THR58B, TRP39J, TRP56B, TYR23B, TYR40B, TYR64B, TYR72B, VAL21J, VAL36B, VAL44B, VAL46B, VAL51B, VAL7B
• B-N: ARG37N, ASN43B, GLN38N, GLY48B, LEU42N, LYS49B, MET1B, MET45B, PRO50B, SER41N, TRP39N
• C-G: ALA146G, ALA175G, ALA27C, ARG102G, ARG147G, ARG174G, ASN26C, ASN39C, ASN43C, ASP38C, ASP57C, ASP76G, CYS18C, GLN162C, GLN2G, GLU148G, GLU31C, GLY150G, GLY178G, GLY30C, HIS107G, ILE110G, ILE149G, ILE21C, ILE33C, LEU111G, LEU160C, LEU177G, LEU20C, LYS153G, MET145G, PHE28C, PRO106G, PRO109G, PRO29C, PRO99G, SER151G, SER22C, THR108G, THR17C, THR24C, THR25C, THR35C, TYR32C, TYR40C, TYR98G, VAL152G, VAL176G, VAL77G
• C-D: ASN43C, HIS107D, MET1C, MET45C, PRO50C
• C-K: ALA13K, ALA172C, ALA175C, ALA42C, ALA59C, ARG174C, ARG20K, ARG66C, ARG68C, ASN16K, ASN26C, ASN39C, ASN43C, ASN52C, ASP170C, ASP26K, ASP38C, ASP47C, ASP57C, ASP63C, ASP65C, GLN27K, GLN38K, GLN40K, GLN61C, GLU10K, GLU171C, GLU18K, GLY178C, GLY24K, GLY34K, GLY48C, GLY54C, HIS19K, HIS22K, ILE11K, ILE173C, ILE21C, ILE33C, ILE43K, ILE4C, LEU165C, LEU177C, LEU20C, LEU35K, LEU42K, LEU53C, LEU55C, LEU67C, LEU70C, LYS166C, LYS31K, LYS49C, LYS5C, MET1C, MET45C, PHE169C, PHE17K, PHE25K, PHE32K, PHE37C, PRO14K, PRO34C, PRO36K, PRO50C, PRO69C, PRO73C, SER12K, SER15K, SER22C, SER41C, SER41K, SER71C, THR167C, THR23K, THR24C, THR25C, THR33K, THR35C, THR58C, TRP39K, TRP56C, TYR23C, TYR40C, TYR64C, TYR72C, VAL21K, VAL36C, VAL44C, VAL46C, VAL51C, VAL7C
• G-D: ASN43G, ASP76D, GLN2G, GLN74D, HIS107D, LYS49G, MET1G, MET45G, PRO106D, PRO109D, PRO50G, THR108D, THR75D
• G-K: ALA13K, ALA175G, ALA3G, ARG102G, ARG174G, ASN16K, ASP76G, CYS105G, GLN2G, GLN74G, GLU18K, GLY178G, HIS103G, HIS104G, HIS107G, HIS19K, HIS22K, ILE173G, ILE4G, LEU177G, LYS5G, PHE17K, PRO106G, PRO109G, PRO14K, SER12K, SER15K, THR108G, THR23K, THR75G, VAL176G, VAL21K, VAL77G
• G-O: ALA13O, ALA172G, ALA175G, ALA42G, ALA59G, ARG174G, ARG20O, ARG66G, ARG68G, ASN16O, ASN26G, ASN39G, ASN43G, ASN52G, ASP170G, ASP26O, ASP38G, ASP47G, ASP57G, ASP63G, ASP65G, GLN162G, GLN27O, GLN30O, GLN38O, GLN40O, GLU10O, GLU171G, GLU18O, GLY178G, GLY24O, GLY34O, GLY48G, GLY54G, HIS19O, HIS22O, ILE11O, ILE173G, ILE21G, ILE33G, ILE43O, ILE4G, LEU165G, LEU177G, LEU20G, LEU35O, LEU42O, LEU53G, LEU55G, LEU67G, LEU70G, LYS166G, LYS31O, LYS49G, LYS5G, MET45G, PHE169G, PHE17O, PHE25O, PHE32O, PHE37G, PRO14O, PRO34G, PRO36O, PRO50G, PRO69G, PRO73G, SER12O, SER15O, SER22G, SER41G, SER41O, SER71G, THR167G, THR23O, THR24G, THR25G, THR33O, THR35G, THR58G, TRP39O, TRP56G, TYR23G, TYR40G, TYR64G, TYR72G, VAL21O, VAL36G, VAL44G, VAL46G, VAL51G, VAL7G
• D-L: ALA13L, ALA172D, ALA175D, ALA42D, ALA59D, ARG174D, ARG20L, ARG66D, ARG68D, ASN16L, ASN26D, ASN39D, ASN43D, ASN52D, ASP170D, ASP26L, ASP38D, ASP47D, ASP57D, ASP63D, ASP65D, GLN162D, GLN27L, GLN30L, GLN38L, GLN40L, GLN61D, GLU10L, GLU171D, GLU18L, GLU44L, GLY178D, GLY24L, GLY34L, GLY48D, GLY54D, HIS19L, HIS22L, ILE11L, ILE173D, ILE21D, ILE33D, ILE43L, ILE4D, LEU165D, LEU177D, LEU20D, LEU35L, LEU42L, LEU53D, LEU55D, LEU67D, LEU70D, LYS166D, LYS31L, LYS49D, LYS5D, MET45D, PHE169D, PHE17L, PHE25L, PHE32L, PHE37D, PRO14L, PRO34D, PRO36L, PRO50D, PRO69D, PRO73D, SER12L, SER15L, SER22D, SER41D, SER41L, SER71D, THR167D, THR23L, THR24D, THR25D, THR33L, THR35D, THR58D, TRP39L, TRP56D, TYR23D, TYR40D, TYR64D, TYR72D, VAL21L, VAL36D, VAL44D, VAL46D, VAL51D, VAL7D
• D-O: ASN16O, GLN2D, GLU18O, PHE17O, SER0D
• E-H: ALA13E, ALA13H, ALA88E, ALA88H, ARG128E, ARG128H, ARG66E, ARG66H, ASP122E, ASP122H, ASP124E, ASP124H, ASP131E, ASP131H, ASP63E, ASP63H, ASP65E, ASP65H, GLN61E, GLN61H, GLU31E, GLU31H, GLU62E, GLU62H, ILE33E, ILE33H, LEU119E, LEU119H, LEU129E, LEU129H, LEU134E, LEU134H, LEU67E, LEU67H, LYS116E, LYS116H, LYS132E, LYS132H, PRO34E, PRO34H, PRO87H, SER86E, SER86H, THR125E, THR125H, THR35E, THR35H, TYR32E, TYR32H, TYR64E, TYR64H, VAL36E, VAL36H, VAL85E, VAL85H
• E-I: ALA13I, ALA175E, ALA3E, ARG102E, ARG174E, ASN16I, ASP76E, CYS105E, GLN2E, GLN74E, GLU18I, GLY178E, HIS103E, HIS104E, HIS107E, HIS19I, HIS22I, ILE173E, ILE4E, LEU177E, LYS5E, PHE17I, PRO106E, PRO109E, PRO14I, SER12I, SER15I, THR108E, THR23I, THR75E, VAL176E, VAL21I, VAL77E
• E-J: ALA144E, ALA146E, ARG147E, ARG94E, ASP26J, GLN27J, GLN30J, GLU148E, GLU29J, GLY150E, GLY24J, GLY34J, HIS22J, HIS28J, LEU143E, PHE25J, SER151E, THR33J, TYR98E
• E-M: ALA13M, ALA172E, ALA175E, ALA42E, ALA59E, ARG174E, ARG20M, ARG66E, ARG68E, ASN16M, ASN26E, ASN39E, ASN43E, ASN52E, ASP170E, ASP26M, ASP38E, ASP47E, ASP57E, ASP63E, ASP65E, GLN162E, GLN27M, GLN30M, GLN38M, GLN40M, GLN61E, GLU10M, GLU171E, GLU18M, GLY178E, GLY24M, GLY34M, GLY48E, GLY54E, HIS19M, HIS22M, ILE11M, ILE173E, ILE21E, ILE33E, ILE43M, ILE4E, LEU165E, LEU177E, LEU20E, LEU35M, LEU42M, LEU53E, LEU55E, LEU67E, LEU70E, LYS166E, LYS31M, LYS49E, LYS5E, MET45E, PHE169E, PHE17M, PHE25M, PHE32M, PHE37E, PRO14M, PRO34E, PRO36M, PRO50E, PRO69E, PRO73E, SER12M, SER15M, SER22E, SER41E, SER41M, SER71E, THR167E, THR17E, THR23M, THR24E, THR25E, THR33M, THR35E, THR58E, TRP39M, TRP56E, TYR23E, TYR40E, TYR64E, TYR72E, VAL21M, VAL36E, VAL44E, VAL46E, VAL51E, VAL7E
• E-P: ALA159E, ALA27E, ARG128E, ASP118E, ASP122E, ASP124E, ASP26P, CYS18E, GLN27P, GLN30P, GLU29P, GLU31E, GLY24P, GLY30E, HIS22P, HIS28P, LEU119E, LEU160E, LYS116E, LYS123E, LYS31P, PHE25P, PHE28E, PHE32P, PRO29E, SER158E, THR125E, THR161E, TYR32E
• H-M: ALA159H, ALA27H, ARG128H, ASN26H, ASP118H, ASP122H, ASP124H, ASP26M, CYS18H, GLN162H, GLN27M, GLN30M, GLU29M, GLU31H, GLY24M, GLY30H, HIS22M, HIS28M, ILE43M, LEU119H, LEU160H, LYS116H, PHE25M, PHE28H, PHE32M, PRO29H, THR125H, THR161H, TYR32H
• H-N: ALA144H, ALA146H, ARG147H, ARG94H, ASP26N, GLN27N, GLN30N, GLU148H, GLU29N, GLY150H, GLY24N, GLY34N, HIS22N, HIS28N, LEU143H, PHE25N, PRO140H, SER151H, THR33N, TYR98H
• H-P: ALA13P, ALA172H, ALA175H, ALA42H, ALA59H, ARG174H, ARG20P, ARG66H, ARG68H, ASN16P, ASN26H, ASN39H, ASN43H, ASN52H, ASP170H, ASP26P, ASP38H, ASP47H, ASP57H, ASP63H, ASP65H, GLN162H, GLN27P, GLN30P, GLN38P, GLN40P, GLN61H, GLU10P, GLU171H, GLU18P, GLY178H, GLY24P, GLY34P, GLY48H, GLY54H, HIS19P, HIS22P, ILE11P, ILE173H, ILE21H, ILE33H, ILE4H, LEU165H, LEU177H, LEU20H, LEU35P, LEU42P, LEU53H, LEU55H, LEU67H, LEU70H, LYS166H, LYS31P, LYS49H, LYS5H, MET45H, PHE169H, PHE17P, PHE25P, PHE32P, PHE37H, PRO14P, PRO34H, PRO36P, PRO50H, PRO69H, PRO73H, SER12P, SER15P, SER22H, SER41H, SER41P, SER71H, THR167H, THR23P, THR24H, THR25H, THR33P, THR35H, THR58H, TRP39P, TRP56H, TYR23H, TYR40H, TYR64H, TYR72H, VAL21P, VAL36H, VAL44H, VAL46H, VAL51H, VAL7H
• J-N: ARG37J, ARG37N, ASN16J, ASN16N, SER15N