1YE1
t-to-t(high) quaternary transitions in human hemoglobin: betay35a oxy (2mm ihp, 20% peg) (1 test set)
Total interactions analyzed 6
Total true interactions 6
Strongest Interaction Chains A-B
Int. Res. 91
Norm. En. per Res. -2.8075
Hub Node A(3)
Click on the Nodes or Edges in the network to see the details
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 -12.3656 11.952 -255.072 -255.4856 91 24 8 10172 0 16 19
A-C -25.3804 -48.6726 -41.3017 -115.3548 52 13 0 1957 2 6 11
A-D -23.5769 44.9158 -81.9333 -60.5943 52 5 0 4431 0 18 17
B-C -18.3565 42.0183 -86.1881 -62.5264 53 9 0 4688 0 17 16
B-D 0.0 3.0886 -0.0326 3.0561 6 0 0 18 0 2 12
C-D -12.0853 13.0373 -232.802 -231.8499 91 16 9 9522 0 16 18