2IIC

calcium bound structure of alpha-11 giardin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 38
  • Norm. En. per Res.: -1.9237
• 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	0.0	-2.1023	-14.4027	-16.505	29	3	0	947	0	11	9
A-C	0.0	0.0	-0.2145	-0.2145	13	0	0	58	0	10	12
A-D	-48.7878	1.0369	-25.3489	-73.0999	38	14	0	2403	0	15	13
B-C	0.0	-15.1158	-66.3595	-81.4753	51	0	0	3128	1	21	28
B-D	0.0	0.0	-0.3684	-0.3684	14	0	0	80	0	11	9

Interface residues

• A-B: ALA50B, ASN118A, ASN58B, ASN86A, ASN88A, ASP123A, ASP126A, CYS55B, GLN122A, GLN127A, GLU14B, GLU62B, GLY45B, ILE128A, ILE56B, LEU130A, LEU46B, LYS10B, LYS16B, LYS53B, LYS54B, LYS57B, LYS85A, LYS85B, MET84A, PHE51B, PRO129A, THR44B, VAL87A
• A-C: ALA11C, ALA15C, ALA173A, ARG149A, ARG176A, ASN17C, ASP170A, GLU172A, GLU19C, GLU20C, HIS161A, SER154A, VAL158A
• A-D: ALA11A, ALA15A, ALA50A, ALA83D, ASN118D, ASN58A, ASN86D, ASN88D, ASP123D, ASP126D, ASP89D, CYS55A, GLN122D, GLN127D, GLU14A, GLU62A, GLY117D, GLY45A, ILE128D, ILE56A, LEU13A, LEU46A, LEU52A, LYS10A, LYS16A, LYS53A, LYS54A, LYS57A, LYS81D, LYS82D, LYS85D, MET84D, PHE40A, PHE51A, PRO129D, THR116D, THR44A, VAL87D
• B-C: ALA173B, ALA50C, ARG176B, ASN118B, ASN118C, ASN290C, ASN58C, ASN86B, ASN86C, ASN88B, ASP119B, ASP123B, ASP126B, ASP167B, ASP170B, CYS55C, GLN122B, GLN127B, GLU14C, GLU168B, GLU172B, GLU62C, GLY117C, GLY45C, GLY59C, HIS139B, HIS171B, ILE128B, ILE49C, ILE56C, LEU130B, LEU46C, LEU52C, LYS10C, LYS115C, LYS16C, LYS53C, LYS54C, LYS57C, LYS81C, LYS85B, LYS85C, MET84B, PHE124B, PHE51C, PRO129B, THR116C, THR131B, TYR136B, VAL125B, VAL87B
• B-D: ALA11B, ALA15B, ALA173D, ARG143D, ARG176D, ASN17B, ASP170D, GLU14B, GLU172D, GLU19B, GLU20B, ILE12B, PRO7B, TYR136D