1L4A

x-ray structure of the neuronal complexin/snare complex from the squid loligo pealei

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 45
  • Norm. En. per Res.: -3.328
• Hub Node: A(4)

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	-39.2896	-41.8716	-261.038	-342.1992	120	35	21	14003	2	27	50
A-C	-6.0016	0.0	-17.78	-23.7816	49	5	0	1444	0	5	3
A-D	-30.0888	-73.8636	-280.739	-384.6913	121	53	19	14092	6	30	38
A-E	-16.4461	-55.042	-78.2722	-149.7603	45	10	2	3657	3	47	44
B-C	-25.8974	-70.0721	-367.502	-463.4715	149	36	16	16249	4	45	69
B-D	-12.3155	-26.7897	-91.9278	-131.033	76	3	3	4803	2	15	16
B-E	-10.9897	-21.5176	-54.2189	-86.7261	35	7	0	2186	2	11	12
C-D	-11.4781	-41.9446	-256.57	-309.9928	125	30	6	11989	2	41	39

Interface residues

• A-B: ALA200B, ALA203B, ALA223B, ALA242B, ALA243B, ALA250B, ALA257B, ALA46A, ALA76A, ALA78A, ALA81A, ALA83A, ALA88A, ALA90A, ARG201B, ARG213B, ARG235B, ARG40A, ARG56A, ARG65A, ARG75A, ARG95A, ASN239B, ASN58A, ASP204B, ASP217B, ASP221B, ASP234B, ASP245B, ASP253B, ASP53A, ASP60A, ASP66A, ASP73A, ASP74A, ASP77A, GLN229B, GLN42A, GLN43A, GLN45A, GLN47A, GLN80A, GLN85A, GLU209B, GLU214B, GLU227B, GLU231B, GLU237B, GLU241B, GLU248B, GLU49A, GLU50A, GLU64A, GLU71A, GLU87A, GLY230B, GLY82A, GLY91A, HIS202B, HIS216B, ILE205B, ILE212B, ILE233B, ILE236B, ILE247B, ILE54A, ILE69A, LEU208B, LEU215B, LEU225B, LEU41A, LEU63A, LEU72A, LEU79A, LEU93A, LYS207B, LYS251B, LYS255B, LYS256B, LYS259B, LYS39A, LYS61A, LYS68A, LYS92A, LYS94A, LYS96A, MET206B, MET218B, MET220B, MET222B, MET224B, MET232B, MET55A, PHE219B, PHE86A, PHE97A, SER211B, SER228B, SER67A, SER70A, SER84A, SER89A, THR210B, THR249B, THR254B, THR44A, TRP98A, TYR238B, TYR246B, VAL226B, VAL240B, VAL244B, VAL252B, VAL258B, VAL48A, VAL51A, VAL52A, VAL57A, VAL59A, VAL62A
• A-C: ALA45C, ALA76A, ALA77C, ALA83A, ARG65A, ARG75A, ASN58A, ASN80C, ASP54C, ASP73A, ASP73C, ASP76C, CYS39C, GLN56C, GLN59C, GLN80A, GLU64C, GLU78C, GLU82C, GLY46C, GLY57C, GLY83C, ILE63C, ILE69A, ILE70C, LEU41A, LEU50C, LEU53C, LEU60C, LEU67C, LEU72A, LEU79A, LEU93A, LYS75C, LYS79C, MET35C, MET52C, MET55A, MET74C, PHE86A, SER28C, SER42C, THR32C, THR44A, THR49C, TRP98A, VAL48A, VAL51A, VAL62A
• A-D: ALA171D, ALA192D, ALA202D, ALA206D, ALA46A, ALA76A, ALA78A, ALA81A, ALA83A, ALA88A, ALA90A, ARG168D, ARG183D, ARG187D, ARG198D, ARG40A, ARG56A, ARG65A, ARG75A, ASN156D, ASN166D, ASN169D, ASN176D, ASN182D, ASN195D, ASN203D, ASN58A, ASP173D, ASP186D, ASP200D, ASP53A, ASP60A, ASP66A, GLN181D, GLN184D, GLN189D, GLN190D, GLN36A, GLN37A, GLN42A, GLN43A, GLN45A, GLN47A, GLN85A, GLU154D, GLU159D, GLU177D, GLU193D, GLU196D, GLU201D, GLU49A, GLU50A, GLU64A, GLU71A, GLU87A, GLY139D, GLY165D, GLY175D, GLY179D, GLY82A, ILE164D, ILE172D, ILE178D, ILE188D, ILE199D, ILE54A, ILE69A, LEU167D, LEU209D, LEU210D, LEU41A, LEU63A, LEU72A, LEU79A, LEU93A, LYS158D, LYS191D, LYS204D, LYS205D, LYS208D, LYS39A, LYS61A, LYS68A, LYS92A, LYS94A, LYS96A, MET153D, MET157D, MET163D, MET170D, MET174D, MET55A, PHE86A, PHE97A, PRO136D, SER137D, SER138D, SER161D, SER162D, SER180D, SER194D, SER197D, SER38A, SER67A, SER70A, SER84A, SER89A, THR142D, THR207D, THR44A, TRP98A, TYR140D, VAL141D, VAL160D, VAL185D, VAL48A, VAL51A, VAL52A, VAL57A, VAL59A, VAL62A
• A-E: ALA78A, ALA81A, ARG51E, ARG56A, ARG56E, ARG62E, ARG65A, ARG66E, ARG70E, ARG75A, ASP60A, ASP66A, ASP71E, ASP73A, ASP74A, ASP77A, GLN67E, GLU59E, GLU63E, GLU64A, GLU71A, GLY74E, HIS55E, ILE69A, ILE69E, LEU63A, LEU72A, LEU75E, LYS52E, LYS54E, LYS61A, LYS68A, LYS72E, LYS76E, MET55A, MET58E, MET65E, SER67A, SER70A, THR68E, TYR73E, VAL52A, VAL57A, VAL59A, VAL62A
• B-C: ALA191B, ALA196B, ALA200B, ALA203B, ALA223B, ALA242B, ALA243B, ALA250B, ALA257B, ALA45C, ALA77C, ARG201B, ARG213B, ARG235B, ARG33C, ARG34C, ARG48C, ARG62C, ASN22C, ASN239B, ASN37C, ASN71C, ASN80C, ASP197B, ASP204B, ASP217B, ASP221B, ASP234B, ASP245B, ASP253B, ASP26C, ASP27C, ASP54C, ASP61C, ASP68C, ASP73C, ASP76C, CYS21C, CYS39C, GLN189B, GLN18C, GLN190B, GLN193B, GLN19C, GLN20C, GLN229B, GLN23C, GLN56C, GLN59C, GLN69C, GLN72C, GLU13C, GLU15C, GLU16C, GLU187B, GLU199B, GLU209B, GLU214B, GLU227B, GLU231B, GLU237B, GLU241B, GLU248B, GLU30C, GLU40C, GLU41C, GLU44C, GLU55C, GLU58C, GLU64C, GLU65C, GLU78C, GLU82C, GLY230B, GLY46C, GLY57C, GLY66C, GLY83C, HIS202B, HIS216B, ILE17C, ILE184B, ILE185B, ILE198B, ILE205B, ILE212B, ILE233B, ILE236B, ILE247B, ILE47C, ILE63C, ILE70C, LEU14C, LEU195B, LEU208B, LEU215B, LEU225B, LEU29C, LEU36C, LEU50C, LEU53C, LEU60C, LEU67C, LEU81C, LYS11C, LYS179B, LYS192B, LYS207B, LYS251B, LYS255B, LYS256B, LYS43C, LYS75C, LYS79C, MET186B, MET206B, MET218B, MET220B, MET222B, MET224B, MET232B, MET35C, MET38C, MET52C, MET74C, PHE219B, SER211B, SER228B, SER28C, SER31C, SER42C, THR12C, THR188B, THR194B, THR210B, THR249B, THR254B, THR25C, THR32C, THR49C, TYR238B, TYR246B, VAL226B, VAL240B, VAL244B, VAL24C, VAL252B, VAL258B, VAL51C
• B-D: ALA171D, ALA192D, ALA196B, ALA200B, ALA202D, ALA206D, ALA223B, ALA243B, ARG143D, ARG149D, ARG168D, ARG198D, ARG201B, ASN146D, ASN166D, ASN169D, ASN182D, ASN195D, ASP147D, ASP151D, ASP197B, ASP200D, ASP204B, GLN181D, GLN193B, GLN229B, GLU150D, GLU199B, GLU209B, GLY175D, HIS202B, HIS216B, ILE144D, ILE164D, ILE172D, ILE178D, ILE188D, ILE198B, ILE199D, ILE205B, ILE212B, ILE233B, ILE236B, ILE247B, LEU167D, LEU195B, LEU208B, LEU209D, LEU210D, LEU215B, LEU225B, LYS256B, MET153D, MET157D, MET163D, MET170D, MET174D, MET218B, MET220B, MET222B, PHE219B, PRO136D, SER161D, SER211B, THR142D, THR145D, THR194B, THR254B, TYR140D, TYR246B, VAL141D, VAL160D, VAL185D, VAL226B, VAL240B, VAL244B
• B-E: ARG213B, ARG235B, ARG62E, ARG66E, ARG70E, ASP217B, ASP221B, GLN229B, GLU214B, GLU227B, GLU231B, GLU59E, GLY230B, GLY74E, HIS216B, HIS55E, ILE233B, ILE69E, LEU215B, LEU225B, LEU75E, LYS54E, LYS72E, MET218B, MET220B, MET222B, MET224B, MET232B, MET58E, MET65E, PHE219B, SER228B, THR68E, TYR73E, VAL226B
• C-D: ALA148D, ALA171D, ALA192D, ALA202D, ALA206D, ALA45C, ALA77C, ARG149D, ARG168D, ARG187D, ARG198D, ARG33C, ARG34C, ARG48C, ARG62C, ASN155D, ASN156D, ASN166D, ASN169D, ASN176D, ASN182D, ASN195D, ASN203D, ASN22C, ASN37C, ASN71C, ASN80C, ASP147D, ASP151D, ASP152D, ASP173D, ASP186D, ASP200D, ASP26C, ASP27C, ASP54C, ASP61C, ASP68C, ASP73C, CYS21C, CYS39C, GLN181D, GLN184D, GLN189D, GLN18C, GLN19C, GLN20C, GLN23C, GLN56C, GLN59C, GLU150D, GLU154D, GLU159D, GLU177D, GLU193D, GLU196D, GLU201D, GLU30C, GLU40C, GLU41C, GLU44C, GLU55C, GLU58C, GLU64C, GLU65C, GLU78C, GLU82C, GLY175D, GLY179D, GLY46C, GLY57C, GLY66C, GLY83C, ILE144D, ILE164D, ILE172D, ILE178D, ILE188D, ILE199D, ILE47C, ILE63C, ILE70C, LEU167D, LEU209D, LEU29C, LEU36C, LEU50C, LEU53C, LEU60C, LEU67C, LEU81C, LYS158D, LYS191D, LYS204D, LYS205D, LYS208D, LYS43C, LYS75C, MET153D, MET157D, MET163D, MET170D, MET174D, MET35C, MET38C, MET52C, MET74C, SER161D, SER162D, SER180D, SER194D, SER197D, SER28C, SER31C, SER42C, THR145D, THR25C, THR32C, THR49C, TYR140D, VAL141D, VAL160D, VAL185D, VAL24C, VAL51C