3L8I

crystal structure of ccm3, a cerebral cavernous malformation protein critical for vascular integrity

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 153
  • Norm. En. per Res.: -2.992
• Hub Node: A(3)

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	-24.7914	-16.89	-369.048	-410.7294	143	14	27	19794	5	34	40
A-C	-26.1843	28.33	-161.6	-159.4543	66	4	7	6261	0	18	21
A-D	0.0	0.0	-22.3145	-22.3145	20	0	0	1166	0	0	0
B-C	0.0	0.0	-24.8871	-24.8871	28	0	0	1454	0	5	4
B-D	-2.6474	43.5038	-94.4677	-53.6113	55	3	0	3372	3	21	26
C-D	-38.1008	-33.5168	-386.16	-457.7775	153	15	21	19488	4	30	36

Interface residues

• A-B: ALA187A, ALA24A, ALA24B, ALA40A, ALA40B, ALA41A, ALA41B, ALA46A, ALA46B, ALA47A, ALA47B, ALA51A, ALA51B, ALA84A, ARG196A, ARG196B, ARG35B, ARG45A, ARG45B, ARG82A, ASN189A, ASN189B, ASN195A, ASN195B, ASN31A, ASN31B, ASN37A, ASN37B, ASN55A, ASN55B, ASN75A, ASP61A, ASP61B, GLN60A, GLN60B, GLU32A, GLU32B, GLU34A, GLU34B, GLU52A, GLU52B, GLU54A, GLU54B, GLU68A, GLU68B, GLU73A, GLU73B, GLU78A, GLY57A, GLY57B, ILE188A, ILE188B, ILE49A, ILE49B, ILE62A, ILE62B, ILE63A, ILE63B, ILE66A, ILE66B, LEU22A, LEU22B, LEU33A, LEU33B, LEU38A, LEU44A, LEU44B, LEU58A, LEU58B, LEU67A, LEU67B, LEU80A, LEU80B, LEU81A, LYS186A, LYS186B, LYS50A, LYS50B, LYS65A, LYS65B, LYS69A, LYS69B, LYS70A, LYS70B, MET17A, MET17B, MET20A, MET20B, MET26A, MET26B, MET64A, MET64B, MET83A, MET83B, PHE191A, PHE191B, PHE30A, PHE30B, PHE48A, PHE48B, PHE76A, PHE76B, PRO21A, PRO21B, PRO28A, PRO28B, PRO56B, SER16A, SER16B, SER193A, SER193B, SER19A, SER19B, SER39A, SER39B, SER71A, SER71B, SER79A, SER79B, THR43A, THR43B, THR59A, THR59B, THR77A, THR77B, TYR23A, TYR23B, TYR27A, TYR27B, VAL18A, VAL18B, VAL192A, VAL192B, VAL25A, VAL25B, VAL29A, VAL29B, VAL36A, VAL36B, VAL72A, VAL72B, VAL74A, VAL74B
• A-C: ALA12C, ALA24A, ALA24C, ALA46A, ARG2C, ARG35A, ARG35C, ARG45A, ARG45C, ASN10C, ASN31A, ASN31C, GLN42A, GLN42C, GLU11C, GLU13C, GLU32A, GLU32C, GLU34A, GLU34C, GLU6C, GLU7C, GLY-1C, HIS0C, ILE49A, ILE49C, LEU22A, LEU22C, LEU33A, LEU38A, LYS169A, LYS53A, LYS9C, MET17A, MET17C, MET1C, MET20A, MET20C, MET26A, MET26C, MET3C, MET5C, MET8C, PHE30A, PHE30C, PRO21A, PRO21C, PRO28A, PRO28C, SER16A, SER19A, SER19C, SER39A, THR14C, THR15C, THR43A, THR4C, TYR23A, TYR23C, TYR27A, TYR27C, VAL25A, VAL25C, VAL29A, VAL29C, VAL36A
• A-D: ASN75D, GLU68D, GLU73D, GLU78D, LEU80D, LYS69D, LYS70D, MET17A, MET20A, PHE76D, SER16A, SER19A, SER71D, SER79D, THR15A, THR77D, TYR23A, VAL18A, VAL72D, VAL74D
• B-C: ALA12C, ALA24C, ARG82B, ASN75B, GLU11C, GLU13C, GLU68B, GLU73B, GLU78B, LEU80B, LYS65B, LYS69B, LYS70B, LYS9C, MET17C, MET20C, MET83B, MET8C, PHE76B, SER16C, SER19C, SER71B, SER79B, THR14C, THR15C, TYR23C, VAL18C, VAL72B
• B-D: ALA84B, ALA84D, ALA85B, ALA85D, ARG108D, ARG126B, ARG126D, ARG82B, ARG82D, ASN122B, ASN122D, ASN75B, ASN75D, ASP119B, ASP119D, ASP86B, ASP86D, ASP87B, ASP87D, GLN112B, GLN112D, GLU120B, GLU78B, GLU78D, GLU89D, ILE121B, ILE121D, LEU80B, LEU80D, LEU81B, LEU81D, LYS116B, LYS116D, MET83B, MET83D, PHE191B, PHE191D, PHE76B, PHE76D, PRO118B, PRO118D, SER115B, SER115D, SER71B, SER71D, SER79B, SER79D, THR77B, THR77D, VAL72B, VAL72D, VAL74B, VAL74D, VAL88B, VAL88D
• C-D: ALA24C, ALA24D, ALA40C, ALA40D, ALA41C, ALA41D, ALA46C, ALA46D, ALA47C, ALA47D, ALA51C, ALA51D, ALA84C, ALA84D, ARG196C, ARG196D, ARG35D, ARG45C, ARG45D, ARG82C, ARG82D, ASN189C, ASN189D, ASN195C, ASN195D, ASN202D, ASN31D, ASN37C, ASN37D, ASN55C, ASN55D, ASN75C, ASN75D, ASP61C, ASP61D, ASP86D, ASP87D, GLN206D, GLN42C, GLN42D, GLN60C, GLN60D, GLU32C, GLU32D, GLU52C, GLU52D, GLU54C, GLU54D, GLU68C, GLU68D, GLU73C, GLU73D, GLU78C, GLU78D, GLY57C, GLY57D, HIS199D, ILE188C, ILE188D, ILE49C, ILE49D, ILE62C, ILE62D, ILE63C, ILE63D, ILE66C, ILE66D, LEU22C, LEU22D, LEU33C, LEU33D, LEU38D, LEU44C, LEU44D, LEU58C, LEU58D, LEU67C, LEU67D, LEU80C, LEU80D, LEU81C, LEU81D, LYS186C, LYS186D, LYS50C, LYS50D, LYS65C, LYS65D, LYS69C, LYS69D, LYS70C, LYS70D, MET17C, MET17D, MET20C, MET20D, MET26C, MET26D, MET64C, MET64D, MET83C, MET83D, PHE191C, PHE191D, PHE30C, PHE30D, PHE48C, PHE48D, PHE76C, PHE76D, PRO21C, PRO21D, PRO28C, PRO28D, PRO56C, PRO56D, SER16C, SER16D, SER193D, SER19C, SER19D, SER39C, SER39D, SER71C, SER71D, SER79C, SER79D, THR43C, THR43D, THR59C, THR59D, THR77C, THR77D, TYR170D, TYR23C, TYR23D, TYR27C, TYR27D, TYR91D, VAL18C, VAL18D, VAL192C, VAL192D, VAL25C, VAL25D, VAL29C, VAL29D, VAL36C, VAL36D, VAL72C, VAL72D, VAL74C, VAL74D