3D3C

structural and functional analysis of the e. coli nusb-s10 transcription antitermination complex.

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-K
  • Int. Res.: 86
  • Norm. En. per Res.: -3.9758
• 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-J	-40.3422	-61.7149	-231.223	-333.2801	84	10	3	8920	4	28	21
A-B	0.0	6.1406	-1.0797	5.0609	9	0	0	81	0	2	7
A-K	-14.5482	-15.7436	-96.9642	-127.256	44	3	7	3593	2	10	18
J-K	-7.1286	-24.942	-13.5956	-45.6662	20	1	0	641	2	10	8
B-K	-36.2429	-64.3625	-241.313	-341.9184	86	12	3	9347	2	26	22
B-C	-23.7869	29.4138	-86.323	-80.6961	32	2	3	2932	0	10	10
B-L	0.0	1.2266	-6.8928	-5.6662	11	1	0	431	0	7	6
K-C	0.0	0.9461	-6.0096	-5.0636	11	2	0	421	0	7	6
C-L	-21.9291	-54.785	-240.564	-317.2782	85	8	3	9517	3	27	25

Interface residues

• A-J: ALA111A, ALA116A, ALA13A, ALA16A, ALA21J, ALA23J, ALA36A, ALA83A, ARG16J, ARG37J, ARG45J, ARG47J, ARG51J, ARG5J, ARG7J, ARG8A, ASN25A, ASP118A, ASP14J, ASP19J, ASP26A, ASP29A, ASP54J, CYS12A, GLN15A, GLN20J, GLN21A, GLN24A, GLN33A, GLN35J, GLN38A, GLN79A, GLU117A, GLU11A, GLU24J, GLU27J, GLU37A, GLU75A, GLU76A, GLU81A, GLY115A, GLY38J, GLY78A, HIS15J, HIS49J, ILE18J, ILE25J, ILE40J, LEU10J, LEU110A, LEU17A, LEU22A, LEU42J, LEU50J, LEU52J, LEU77A, LYS112A, LYS30J, LYS82A, PHE114A, PHE13J, PHE34A, PRO39J, PRO41J, PRO43J, SER113A, SER119A, SER19A, SER23A, SER46J, THR22J, THR44J, THR48J, TRP20A, TYR18A, TYR32A, VAL14A, VAL26J, VAL30A, VAL36J, VAL53J, VAL56J, VAL80A, VAL84A
• A-B: ALA28A, ARG49A, ASP26A, ASP29A, GLU75B, GLU76B, ILE27A, LEU73B, THR57A
• A-K: ALA21K, ALA23K, ALA28A, ALA36A, ALA72K, ALA73K, ARG16K, ARG47K, ARG49A, ASP14K, ASP19K, ASP26A, ASP29A, ASP39A, ASP70K, GLN20K, GLN33A, GLN38A, GLU24K, GLU31A, GLU37A, GLU50A, GLY74K, HIS15K, ILE18K, ILE25K, ILE27A, LEU10K, LEU17K, LEU35A, LEU46A, LEU69K, LEU71K, LYS41A, PHE13K, PHE34A, PHE48A, THR22K, TYR32A, VAL30A, VAL40A, VAL43A, VAL45A, VAL75K
• J-K: ARG31K, ARG37J, ARG5J, ARG68K, ARG7J, ASN3J, ASP64K, ASP65K, ASP70K, GLN2J, GLN35J, GLN4J, GLU24K, GLU27K, GLU57J, GLY82J, LEU69K, LYS61K, MET1J, VAL56J
• B-K: ALA111B, ALA116B, ALA13B, ALA16B, ALA21K, ALA23K, ALA36B, ALA83B, ARG16K, ARG37K, ARG45K, ARG47K, ARG51K, ARG5K, ARG72B, ARG7K, ARG8B, ASN25B, ASP118B, ASP14K, ASP19K, ASP26B, ASP29B, ASP54K, CYS12B, GLN15B, GLN20K, GLN21B, GLN24B, GLN33B, GLN35K, GLN38B, GLN79B, GLU117B, GLU11B, GLU24K, GLU27K, GLU37B, GLU76B, GLU81B, GLY115B, GLY38K, GLY78B, HIS15K, HIS49K, ILE18K, ILE25K, ILE40K, LEU10K, LEU110B, LEU17B, LEU22B, LEU35B, LEU42K, LEU50K, LEU52K, LEU77B, LYS112B, LYS30K, LYS82B, PHE114B, PHE122B, PHE13K, PHE34B, PRO39K, PRO41K, PRO43K, SER113B, SER119B, SER19B, SER23B, SER46K, THR22K, THR44K, THR48K, TRP20B, TYR18B, TYR32B, VAL14B, VAL26K, VAL30B, VAL36K, VAL53K, VAL56K, VAL80B, VAL84B
• B-C: ALA36B, ALA36C, ALA5B, ALA5C, ASP39B, ASP39C, ASP42B, ASP42C, ASP44B, ASP44C, GLN33B, GLN33C, GLN38B, GLN38C, GLU37B, GLU37C, LEU35B, LEU35C, LEU46B, LEU46C, LYS41B, LYS41C, PHE34B, PHE34C, TYR32B, TYR32C, VAL40B, VAL40C, VAL43B, VAL43C, VAL45B, VAL45C
• B-L: ARG37L, ARG5L, ARG7L, ASN3L, ASP39B, ASP42B, ASP54L, LYS41B, VAL40B, VAL43B, VAL56L
• K-C: ARG37K, ARG5K, ARG7K, ASN3K, ASP39C, ASP42C, ASP54K, LYS41C, VAL40C, VAL43C, VAL56K
• C-L: ALA111C, ALA116C, ALA13C, ALA16C, ALA21L, ALA23L, ALA36C, ALA83C, ARG16L, ARG37L, ARG45L, ARG47L, ARG51L, ARG5L, ARG7C, ARG7L, ARG8C, ASN25C, ASP118C, ASP14L, ASP19L, ASP26C, ASP29C, ASP54L, CYS12C, GLN15C, GLN20L, GLN21C, GLN24C, GLN33C, GLN35L, GLN38C, GLN79C, GLU109C, GLU117C, GLU11C, GLU24L, GLU27L, GLU37C, GLU76C, GLU81C, GLY115C, GLY38L, GLY78C, HIS15L, HIS49L, ILE18L, ILE25L, ILE40L, LEU10L, LEU110C, LEU17C, LEU22C, LEU35C, LEU42L, LEU50L, LEU52L, LEU77C, LYS112C, LYS30L, PHE114C, PHE13L, PHE34C, PRO39L, PRO41L, PRO43L, SER113C, SER119C, SER19C, SER23C, SER46L, THR22L, THR44L, THR48L, TRP20C, TYR18C, TYR32C, VAL14C, VAL26L, VAL30C, VAL36L, VAL53L, VAL56L, VAL80C, VAL84C