2QFD

crystal structure of the regulatory domain of human rig-i with bound hg

• Total interactions analyzed: 45
• Total true interactions: 16
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 52
  • Norm. En. per Res.: -3.2219
• 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	-26.9729	-66.4311	-74.1355	-167.5395	52	8	0	3773	4	31	34
A-C	0.0	0.0	-0.0722	-0.0722	4	0	0	26	0	0	2
A-D	0.0	0.0	-0.0139	-0.0139	3	0	0	5	0	0	0
A-E	-47.3372	12.5352	-84.1953	-118.9973	42	2	4	3594	0	15	10
A-G	0.0	0.0	-0.1083	-0.1083	7	0	0	49	0	1	6
B-D	-49.8434	9.5719	-84.7729	-125.0444	40	3	3	3811	0	11	10
B-E	0.0	0.0	-0.2933	-0.2933	6	0	0	73	0	0	2
C-E	-37.3381	-65.6477	-95.6427	-198.6285	63	11	0	4527	8	32	38
C-G	-7.8058	-32.2344	-38.8243	-78.8645	31	4	0	1803	3	9	14
C-H	-7.3902	-26.847	-37.425	-71.6623	45	1	0	1704	2	29	25
E-G	-5.5144	-8.7351	-20.1021	-34.3516	38	2	0	1355	1	24	24
F-H	-8.6385	-17.662	-27.9874	-54.2879	32	4	1	1487	2	21	17
F-I	0.0	0.0	-0.3083	-0.3083	5	0	0	73	0	1	0
F-J	0.0	26.4681	-14.0455	12.4226	14	1	0	826	0	1	6
G-J	-40.2211	11.2026	-76.5103	-105.5289	41	5	4	3593	0	14	11
H-J	0.0	-12.9846	-12.1146	-25.0992	20	3	0	883	0	14	6

Interface residues

• A-B: ASP910A, ASP910B, ASP919B, CYS829A, CYS829B, GLU827A, GLU827B, GLU828A, GLU828B, HIS830A, HIS830B, HIS912A, HIS912B, ILE826A, ILE826B, LYS849B, LYS851A, LYS851B, LYS880A, LYS880B, LYS907A, LYS907B, LYS909A, LYS909B, LYS915A, LYS915B, PHE853A, PHE853B, PHE911A, PHE911B, PHE913A, PHE913B, PHE918A, PHE918B, PRO917A, PRO917B, PRO920A, PRO920B, SER854A, SER854B, SER855A, SER855B, SER906A, SER906B, TRP908A, TRP908B, TYR831A, TYR831B, TYR879A, TYR879B, VAL825A, VAL825B
• A-C: ALA898A, LYS880C, PRO920C, THR899A
• A-D: ALA898D, LYS880A, THR899D
• A-E: ALA898A, ALA898E, ARG811A, ARG811E, ASP896A, ASP896E, ASP910A, ASP910E, GLN902A, GLN902E, GLU895A, GLU895E, GLY900A, GLY900E, HIS912A, HIS912E, LEU904A, LEU904E, LYS803A, LYS803E, LYS814A, LYS814E, LYS907A, LYS907E, LYS909A, LYS909E, PHE911A, PHE911E, SER906A, SER906E, THR899A, THR899E, THR903A, THR903E, TYR905A, TYR905E, VAL893A, VAL893E, VAL894A, VAL894E, VAL901A, VAL901E
• A-G: ASN868A, CYS813A, HIS847G, LYS812A, LYS814A, LYS849G, PRO848G
• B-D: ALA898B, ALA898D, ARG811B, ARG811D, ASP896B, ASP896D, ASP910B, ASP910D, GLN902B, GLN902D, GLU895B, GLU895D, GLY900B, GLY900D, HIS912B, HIS912D, LEU904B, LEU904D, LYS814B, LYS814D, LYS907B, LYS907D, LYS909B, LYS909D, PHE911B, PHE911D, SER906B, SER906D, THR899B, THR899D, THR903B, THR903D, TYR905B, TYR905D, VAL893B, VAL893D, VAL894B, VAL894D, VAL901B, VAL901D
• B-E: ALA898E, ALA921B, ASP919B, LYS880B, PRO920B, THR899E
• C-E: ASP910C, ASP910E, ASP919C, ASP919E, CYS829C, CYS829E, GLN852C, GLN852E, GLU827C, GLU827E, GLU828C, GLU828E, HIS830C, HIS830E, HIS912C, HIS912E, ILE826C, ILE826E, LYS849C, LYS849E, LYS851C, LYS851E, LYS858C, LYS858E, LYS861C, LYS880C, LYS880E, LYS888C, LYS888E, LYS907C, LYS907E, LYS909C, LYS909E, LYS915C, LYS915E, PHE853C, PHE853E, PHE911C, PHE911E, PHE913C, PHE913E, PHE918C, PHE918E, PRO850C, PRO850E, PRO917C, PRO917E, PRO920C, PRO920E, SER854C, SER854E, SER855C, SER855E, SER906C, SER906E, TRP908C, TRP908E, TYR831C, TYR831E, TYR879C, TYR879E, VAL825C, VAL825E
• C-G: ALA815G, ALA837G, ALA865G, ARG859C, ARG866G, ASN868G, CYS813G, CYS841G, CYS869G, GLN852C, GLN867G, GLU827C, GLU840G, GLU857C, HIS830C, ILE826C, LEU816G, LYS812G, LYS814G, LYS851C, LYS858C, LYS878C, LYS880C, PHE842G, PHE853C, PHE856C, PRO850C, SER854C, SER855C, THR881C, TYR879C
• C-H: ALA837C, ALA865C, ARG811H, ARG845C, ARG845H, ARG866C, ASN868C, ASN868H, ASP836C, ASP872H, ASP910H, CYS841C, CYS869H, GLN867C, GLU840C, GLU883C, GLU890H, GLU922C, GLY835C, GLY874H, HIS847H, HIS871H, ILE875H, ILE889H, LEU904H, LYS812H, LYS839C, LYS849H, LYS851H, LYS858H, LYS861H, LYS888H, LYS907H, MET923C, PHE842C, PHE863H, PHE892H, PRO846C, PRO848H, SER844C, SER891H, SER906H, THR903H, TYR905H, VAL843C
• E-G: ALA837G, ALA860G, ARG811E, ARG845G, ARG859G, ASN868E, ASN868G, ASP836G, ASP872E, CYS810E, CYS813E, CYS869G, GLN867G, GLU840G, GLU883G, GLU890E, HIS847E, HIS871E, LEU904E, LYS812E, LYS814E, LYS839G, LYS849E, LYS858E, LYS861E, LYS888E, LYS907E, LYS909E, PRO846G, PRO848E, PRO850E, SER844G, SER870E, SER870G, SER891E, SER906E, TRP908E, VAL843G
• F-H: ALA837F, ALA865F, ALA921H, ARG845F, ARG859H, ASP836F, ASP836H, CYS841F, GLN852H, GLN867F, GLU840F, GLU857H, GLU883H, HIS876F, ILE862F, LYS839F, LYS839H, LYS849H, LYS861F, LYS878H, LYS880H, MET923F, PHE838F, PHE842F, PHE863F, PHE882H, PRO846F, PRO850H, PRO920H, SER844F, THR881H, VAL843F
• F-I: ALA898I, GLY900I, LYS880F, PRO920F, THR899I
• F-J: ALA815F, ARG845J, ARG866F, ASN868F, CYS813F, CYS869F, GLN867F, HIS847J, LEU816F, LYS814F, LYS849J, PRO846J, PRO848J, SER844J
• G-J: ALA898G, ALA898J, ARG811G, ARG811J, ASP896G, ASP896J, ASP910G, ASP910J, GLN902G, GLN902J, GLU895J, GLY900G, GLY900J, HIS912G, HIS912J, LEU904G, LEU904J, LYS803G, LYS803J, LYS814G, LYS814J, LYS907G, LYS907J, LYS909G, LYS909J, PHE911G, PHE911J, SER906G, SER906J, THR899G, THR899J, THR903G, THR903J, TYR905G, TYR905J, VAL893G, VAL893J, VAL894G, VAL894J, VAL901G, VAL901J
• H-J: ALA837H, ASP836H, CYS841H, GLN867H, GLU840H, GLU890J, GLY835H, HIS847J, LYS839H, LYS849J, LYS851J, LYS858J, LYS861J, LYS907J, PHE838H, PHE842H, PHE853J, PRO848J, PRO850J, SER906J