3IMQ

crystal structure of the nusb101-s10(delta loop) complex

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: J-B
  • Int. Res.: 45
  • Norm. En. per Res.: -4.0799
• Hub Node: J(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	-27.4874	-48.1624	-221.174	-296.8238	85	8	3	8784	1	25	24
A-B	0.0	3.9302	-0.3385	3.5917	13	0	0	109	0	3	8
J-B	-23.3575	-37.9497	-122.29	-183.5973	45	5	8	4183	6	10	18
J-K	0.0	-24.5685	-17.7056	-42.2741	22	0	0	805	2	10	8
J-L	-87.4872	-2.28	-205.709	-295.4762	79	9	2	8059	0	7	15
B-K	-49.6363	-52.7438	-218.488	-320.8681	85	5	3	8709	5	27	24
B-L	0.0	0.0	-0.0131	-0.0131	5	0	0	8	0	0	1
C-L	-32.5208	-26.1808	-216.929	-275.6306	85	5	3	8837	3	23	23

Interface residues

• A-J: ALA111A, ALA116A, ALA16A, ALA21J, ALA23J, ALA36A, ALA83A, ARG16J, ARG37J, ARG45J, ARG47J, ARG51J, ARG5J, ARG72A, ARG7J, ARG8A, ASN118A, ASN25A, ASP14J, ASP19J, ASP26A, ASP29A, ASP54J, CYS12A, GLN15A, GLN20J, GLN21A, GLN24A, GLN33A, GLN35J, GLN38A, GLN79A, GLU109A, GLU117A, GLU11A, GLU24J, GLU27J, GLU37A, GLU75A, GLU76A, GLU81A, GLY115A, GLY38J, GLY78A, HIS15J, HIS49J, ILE18J, ILE25J, ILE40J, LEU10J, LEU110A, LEU17A, LEU22A, LEU35A, 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
• A-B: ALA28B, ALA53B, ARG49B, ARG72A, ASN58B, ASP26B, GLU50B, GLU75A, GLU76A, GLY54B, ILE27B, THR57B, TYR90B
• J-B: ALA21J, ALA23J, ALA28B, ALA36B, ALA53B, ALA72J, ALA73J, ARG16J, ARG49B, ASP14J, ASP19J, ASP26B, ASP29B, ASP39B, ASP70J, GLN20J, GLN33B, GLN38B, GLU24J, GLU31B, GLU37B, GLU50B, GLY74J, HIS15J, ILE18J, ILE25J, ILE27B, LEU10J, LEU17J, LEU35B, LEU46B, LEU52B, LEU69J, LEU71J, LYS41B, PHE13J, PHE34B, PHE48B, THR22J, TYR32B, VAL30B, VAL40B, VAL43B, VAL45B, VAL75J
• J-K: ALA65J, ARG31J, ARG37K, ARG5K, ARG68J, ARG7K, ASN3K, ASP64J, ASP70J, GLN2K, GLN35K, GLN4K, GLU24J, GLU27J, GLU57K, GLU60J, GLY-1K, LEU69J, LYS61J, MET1K, SER0K, VAL56K
• J-L: ALA12J, ALA21J, ALA65J, ALA65L, ALA72J, ALA72L, ALA73J, ALA73L, ARG5J, ARG5L, ARG68J, ARG68L, ARG7J, ARG7L, ARG9J, ARG9L, ASN3J, ASN3L, ASP64J, ASP64L, ASP70J, ASP70L, ASP76J, ASP76L, GLN2J, GLN2L, GLN4J, GLN4L, GLN78J, GLN78L, GLU60J, GLU60L, GLY-1J, GLY-1L, GLY-4J, GLY-4L, GLY74J, GLY74L, GLY82J, GLY82L, ILE25J, ILE6J, ILE6L, ILE79J, ILE79L, ILE8J, ILE8L, LEU-2J, LEU-2L, LEU10J, LEU10L, LEU66J, LEU66L, LEU69J, LEU69L, LEU71J, LEU71L, LEU81J, LEU81L, LYS11J, LYS11L, MET1J, MET1L, MET67J, MET67L, PHE13J, PHE13L, PRO-3J, PRO-3L, SER0J, SER0L, SER80J, SER80L, VAL63J, VAL63L, VAL75J, VAL75L, VAL77J, VAL77L
• B-K: ALA111B, ALA116B, ALA16B, ALA21K, ALA23K, ALA29K, ALA36B, ALA83B, ARG16K, ARG37K, ARG45K, ARG47K, ARG51K, ARG5K, ARG7K, ARG8B, ASN118B, ASN25B, ASP14K, ASP19K, ASP26B, ASP29B, ASP39B, ASP54K, CYS12B, GLN15B, GLN20K, GLN21B, GLN24B, GLN33B, GLN35K, GLN38B, GLN79B, GLU117B, GLU11B, GLU24K, GLU27K, GLU37B, GLU75B, GLU76B, GLU81B, GLY115B, GLY38K, GLY78B, HIS15K, HIS49K, ILE18K, ILE25K, ILE40K, LEU10K, LEU110B, LEU17B, LEU22B, LEU42K, LEU50K, LEU52K, LEU74B, LEU77B, LYS112B, LYS30K, LYS82B, PHE114B, PHE13K, PHE34B, PRO39K, PRO41K, PRO43K, SER113B, SER119B, SER19B, SER23B, SER46K, THR22K, THR44K, THR48K, TRP20B, TYR18B, TYR32B, VAL14B, VAL26K, VAL30B, VAL36K, VAL53K, VAL56K, VAL80B
• B-L: ALA36B, GLU37B, GLY-4L, SER0L, TYR32B
• C-L: ALA111C, ALA116C, ALA16C, ALA21L, ALA23L, ALA36C, ALA83C, ARG16L, ARG37L, ARG45L, ARG47L, ARG51L, ARG5L, ARG72C, ARG7L, ARG8C, ASN118C, ASN25C, 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, LYS82C, 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