3ODL
crystal structure of cyclophilin a in complex with voclosporin z- isa247
Total interactions analyzed 190
Total true interactions 50
Strongest Interaction Chains O-Q
Int. Res. 37
Norm. En. per Res. -2.5336
Hub Node A(7)
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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 -4.6689 -4.6689 15 0 0 276 0 0 0
A-C -8.4495 -6.0123 -63.8189 -78.2807 39 0 0 2710 1 14 12
A-D 0.0 0.0 -6.9601 -6.9601 8 0 1 342 0 0 0
A-I -13.703 -5.0047 -63.5062 -82.2139 41 2 0 2856 3 12 12
A-K 0.0 0.0 -23.7874 -23.7874 22 0 0 1141 3 12 18
A-M 0.0 0.0 -4.9581 -4.9581 20 0 1 418 0 0 8
A-N 0.0 0.0 -5.4479 -5.4479 8 0 0 221 0 0 0
B-I 0.0 0.0 -6.6736 -6.6736 8 0 1 333 0 0 0
B-M -3.4057 0.0 -4.4987 -7.9044 8 1 0 200 0 0 0
C-D 0.0 0.0 -4.4491 -4.4491 14 0 0 287 0 0 0
C-E -3.6819 -2.1867 -60.5455 -66.4141 40 0 0 2623 3 13 12
C-F 0.0 0.0 -5.9912 -5.9912 8 0 1 337 0 0 0
C-K 0.0 0.0 -4.7694 -4.7694 21 0 1 425 0 0 7
C-L 0.0 0.0 -5.0693 -5.0693 8 0 0 205 0 0 0
C-S -7.0657 -6.2594 -21.7616 -35.0866 20 0 0 1095 3 12 17
D-K 0.0 0.0 -5.4579 -5.4579 8 0 0 235 0 0 0
E-F 0.0 0.0 -4.975 -4.975 15 0 0 301 0 0 0
E-G -13.4839 -7.6534 -66.1838 -87.3211 36 2 0 2810 1 13 12
E-H 0.0 0.0 -7.0244 -7.0244 8 0 1 340 0 0 0
E-Q 0.0 -6.504 -20.5421 -27.0461 20 0 0 1102 2 12 18
E-S 0.0 0.0 -3.444 -3.444 19 0 1 332 0 0 7
E-T -2.4752 0.0 -4.0878 -6.563 8 1 0 205 0 0 0
F-S -2.1113 0.0 -4.2351 -6.3465 8 0 0 158 0 0 0
G-H 0.0 0.0 -4.4902 -4.4902 15 0 0 304 0 0 0
G-I -3.1504 -2.28 -58.4019 -63.8323 41 0 0 2574 4 13 12
G-J 0.0 0.0 -6.7515 -6.7515 8 0 1 346 0 0 0
G-O -7.4424 -16.4344 -24.3697 -48.2465 21 0 0 1196 4 12 17
G-Q 0.0 0.0 -4.675 -4.675 20 0 1 411 0 0 8
G-R 0.0 0.0 -4.5597 -4.5597 8 0 0 180 0 0 0
H-Q -2.652 0.0 -4.9544 -7.6064 8 0 0 227 0 0 0
I-J 0.0 0.0 -5.2343 -5.2343 15 0 0 310 0 0 0
I-M 0.0 -6.1346 -23.1645 -29.2991 21 0 0 1141 3 12 18
I-O 0.0 0.0 -5.0838 -5.0838 20 0 1 451 0 0 9
I-P 0.0 0.0 -5.1118 -5.1118 8 0 0 197 0 0 0
J-O 0.0 0.0 -4.9264 -4.9264 8 0 0 189 0 0 0
K-L 0.0 0.0 -4.2174 -4.2174 16 0 0 296 0 0 0
K-M -12.1978 -6.2942 -64.9835 -83.4755 42 2 0 2761 2 16 12
K-N 0.0 0.0 -6.6172 -6.6172 8 0 1 339 0 0 0
K-S -3.7319 -2.0923 -66.0047 -71.8289 41 0 0 2793 1 12 12
L-S 0.0 0.0 -6.8001 -6.8001 8 0 1 321 0 0 0
M-N 0.0 0.0 -4.5952 -4.5952 15 0 0 295 0 0 0
M-O -16.7637 -8.1952 -61.8297 -86.7886 40 1 0 2686 4 13 12
M-P 0.0 0.0 -6.3823 -6.3823 8 0 1 331 0 0 0
O-P 0.0 0.0 -5.2342 -5.2342 15 0 0 308 0 0 0
O-Q -18.3592 -9.8101 -65.5751 -93.7444 37 3 0 2789 2 12 12
O-R 0.0 0.0 -6.7013 -6.7013 9 0 1 329 0 0 0
Q-R 0.0 0.0 -4.7682 -4.7682 15 0 0 304 0 0 0
Q-S -12.5719 -7.1883 -55.4658 -75.226 38 1 0 2468 1 14 12
Q-T 0.0 0.0 -6.0755 -6.0755 8 0 1 322 0 0 0
S-T 0.0 0.0 -4.407 -4.407 15 0 0 278 0 0 0