EMPIRE: EMpirical Protein- InteRaction Energy with a simple reference state makes a significant improvement in near-native selections

(Academic use only)

Prediction of Binding Afinity

PDB file:

Or PDB ID(lower case):

Protein Complex Interface:

number of chain(s) (first component):
chain name(s) of first component(upper case):
number of chain(s) (second component):
chain name(s) of second component(upper case):

Note:
(1) Prediction of binding affinity for structrally refined protein complexes .
(2) The pdbfile files should contain polar hydrogen atoms.

Usage: for example, in pdb file 1abi, there are three chains: H,L,I. Chains H and L are antibody, and Chains I is antigene. Thus, its input and output are like the following:

Input

The number of chain(s) (first component): 2

chain name(s) of first component(upper case): HL

The number of chain(s) (second component): 1

chain name(s) of second component(upper case): I

Output

Buried interface: 2122.6 A*A

Binding affinity: -8.3 kcal/mol

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Input
	The number of chain(s) (first component): 2
	chain name(s) of first component(upper case): HL
	The number of chain(s) (second component): 1
	chain name(s) of second component(upper case): I
Output
	Buried interface: 2122.6 A*A
	Binding affinity: -8.3 kcal/mol