2P46

complex of a camelid single-domain vhh antibody fragment with rnase a at 2.5a resolution: se5b-ortho-2 crystal form with five se-met sites (l4m, m34, m51, f68m, m83) in vhh scaffold.

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 59
  • Norm. En. per Res.: -4.606
• Hub Node: A(1)

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	-72.393	-13.6615	-185.702	-271.7565	59	11	1	6458	0	3	4
B-D	-30.3629	0.0	-144.778	-175.1409	71	12	4	5985	0	2	1
C-D	-33.9401	-18.8391	-181.037	-233.8163	58	9	1	6480	0	2	5

Interface residues

• A-B: ALA109A, ALA28B, ALA4A, ALA56A, ALA5A, ALA64A, ALA98B, ARG104B, ARG106B, ARG45B, ASN113A, ASN62A, ASN67A, ASN71A, ASN77B, ASP105B, ASP52B, CYS110A, CYS58A, CYS65A, CYS72A, GLN110B, GLN1B, GLN60A, GLN69A, GLN74A, GLU102B, GLU111A, GLY100B, GLY109B, GLY112A, GLY26B, GLY57B, GLY68A, GLY99B, ILE32B, LYS61A, PRO114A, SER53B, SER59A, THR107B, THR30B, THR3A, THR70A, TRP111B, TYR101B, TYR108B, TYR115A, TYR27B, TYR29B, TYR31B, TYR33B, TYR73A, TYR76A, VAL116A, VAL118A, VAL2B, VAL57A, VAL63A
• B-D: ALA14B, ALA14D, ALA23B, ALA23D, ALA24D, ARG19B, ARG19D, CYS22B, CYS22D, CYS96D, GLN113B, GLN113D, GLN116B, GLN116D, GLN13B, GLN13D, GLN1B, GLN1D, GLN3B, GLN3D, GLU6B, GLU6D, GLY10B, GLY10D, GLY112B, GLY112D, GLY114B, GLY114D, GLY16B, GLY16D, GLY26B, GLY26D, GLY8B, GLY8D, GLY9B, GLY9D, LEU11B, LEU11D, LEU18B, LEU18D, LEU20B, LEU20D, SER120B, SER120D, SER121B, SER121D, SER17B, SER17D, SER21B, SER21D, SER25B, SER25D, SER7B, SER7D, THR115B, THR115D, THR118B, THR118D, THR91B, TRP111B, TRP111D, VAL117B, VAL117D, VAL119B, VAL119D, VAL12B, VAL12D, VAL2B, VAL2D, VAL5B, VAL5D
• C-D: ALA109C, ALA28D, ALA4C, ALA5C, ALA64C, ALA98D, ARG104D, ARG106D, ARG45D, ASN113C, ASN62C, ASN67C, ASN71C, ASN77D, ASP105D, ASP52D, CYS110C, CYS58C, CYS65C, CYS72C, GLN110D, GLN1D, GLN60C, GLN69C, GLN74C, GLU102D, GLU111C, GLY100D, GLY109D, GLY112C, GLY26D, GLY57D, GLY68C, GLY99D, ILE32D, LYS61C, PRO114C, SER53D, SER59C, SER75C, THR107D, THR30D, THR3C, THR70C, TRP111D, TYR101D, TYR108D, TYR115C, TYR27D, TYR29D, TYR31D, TYR33D, TYR73C, TYR76C, VAL116C, VAL118C, VAL2D, VAL63C