3Q9U

in silico and in vitro co-evolution of a high affinity complementary protein-protein interface

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 87
  • Norm. En. per Res.: -2.4298
• Hub Node: B(2)

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-C	-15.1648	-32.6825	-163.544	-211.3913	87	6	8	7832	1	15	12
B-C	0.0	-3.1859	-32.7992	-35.9851	31	1	0	1761	0	7	7
B-D	-17.2607	-4.0033	-138.743	-160.007	78	6	8	6648	1	13	9
C-D	0.0	0.0	-0.0094	-0.0094	2	0	0	7	0	0	2

Interface residues

• A-C: ALA100C, ALA113A, ALA114A, ALA11C, ALA126A, ALA12C, ALA132C, ALA42C, ALA43C, ALA44C, ALA67C, ALA75C, ALA76C, ALA85A, ALA87A, ALA92A, ALA9C, ARG115A, ARG2A, ARG33A, ARG89A, ARG99C, ASN107A, ASN127A, ASN34C, ASN45C, ASN53A, ASN55A, ASN83A, ASP131C, ASP32C, ASP33C, ASP65C, ASP78C, ASP98C, GLN113C, GLN116A, GLN144C, GLN146C, GLN14C, GLU32A, GLU8C, GLY101C, GLY112C, GLY134C, GLY35C, GLY46C, GLY68C, HIS106C, HIS40C, HIS73C, HIS80C, ILE140C, ILE4A, ILE69C, LEU107C, LEU110C, LEU112A, LEU133C, LEU135C, LEU36C, LEU41C, LEU72C, LEU74C, LEU7C, LYS30A, LYS4C, LYS86A, PHE90A, PRO104C, PRO111A, PRO54A, PRO71C, PRO84A, SER111C, SER66C, THR103C, THR108A, THR37C, THR70C, TRP102C, TRP88A, TYR109A, TYR110A, TYR56A, TYR77C, TYR93A
• B-C: ALA23C, ALA26C, ALA30C, ALA35B, ARG132B, ARG33B, ASN24C, ASN36B, ASP1C, ASP27C, ASP34B, GLN0C, GLU32B, GLU44B, GLY-1C, GLY25C, GLY3C, HIS45B, ILE37B, LEU2C, LYS135B, LYS30B, LYS40B, MET131B, MET22C, PHE-2C, PRO31B, THR31C, TYR41B, VAL28C, VAL38B
• B-D: ALA100D, ALA10D, ALA113B, ALA114B, ALA11D, ALA126B, ALA12D, ALA42D, ALA43D, ALA44D, ALA67D, ALA75D, ALA76D, ALA85B, ALA87B, ALA92B, ALA9D, ARG2B, ARG33B, ARG89B, ARG99D, ASN107B, ASN127B, ASN34D, ASN45D, ASN55B, ASN83B, ASP32D, ASP33D, ASP65D, ASP78D, ASP98D, GLN113D, GLN144D, GLN146D, GLN14D, GLU32B, GLU8D, GLY101D, GLY112D, GLY35D, GLY46D, GLY68D, HIS106D, HIS40D, HIS73D, HIS80D, ILE4B, ILE69D, LEU107D, LEU110D, LEU112B, LEU133D, LEU36D, LEU41D, LEU72D, LEU74D, LEU7D, LYS30B, LYS4D, LYS86B, PRO104D, PRO111B, PRO71D, PRO84B, SER111D, SER66D, THR103D, THR108B, THR37D, THR70D, TRP102D, TRP88B, TYR109B, TYR110B, TYR56B, TYR77D, TYR93B
• C-D: GLN0C, GLN14D