1BBZ
crystal structure of the abl-sh3 domain complexed with a designed high-affinity peptide ligand: implications for sh3-ligand interactions
Total interactions analyzed 28
Total true interactions 16
Strongest Interaction Chains G-H
Int. Res. 41
Norm. En. per Res. -4.1271
Hub Node A(5)
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Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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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 int. res.
A-B 0.0 0.0 -157.16 -157.16 40 1 0 4953 0 0 0
A-C 0.0 0.0 -30.9002 -30.9002 33 3 0 1359 0 2 3
A-D -16.2597 0.0 -99.3385 -115.5982 36 4 2 3578 0 0 0
A-E -24.3793 0.0 -39.2147 -63.594 36 5 0 1449 0 2 3
A-F 0.0 0.0 -0.0749 -0.0749 3 0 0 11 0 0 0
B-C 0.0 0.0 -0.0545 -0.0545 2 0 0 8 0 0 0
B-D 0.0 0.0 -0.0418 -0.0418 2 0 0 16 0 0 0
B-E -8.9719 0.0 -93.5246 -102.4965 35 2 2 3416 0 0 0
B-F 0.0 0.0 -0.0633 -0.0633 2 0 0 21 0 0 0
C-D 0.0 0.0 -163.457 -163.457 40 4 0 5001 0 0 0
E-F 0.0 0.0 -163.051 -163.051 40 5 0 4956 0 0 0
E-G -9.8323 0.0 -28.5248 -38.3571 33 1 0 1171 0 2 2
E-H 0.0 0.0 -0.0594 -0.0594 2 0 0 9 0 0 0
F-G -7.9955 0.0 -96.8545 -104.85 34 1 1 3402 0 0 0
F-H 0.0 0.0 -0.0519 -0.0519 2 0 0 15 0 0 0
G-H 0.0 0.0 -169.213 -169.213 41 2 0 5130 0 0 0