3ODI
crystal structure of cyclophilin a in complex with voclosporin e- isa247
Total interactions analyzed 190
Total true interactions 50
Strongest Interaction Chains G-M
Int. Res. 22
Norm. En. per Res. -4.344
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 -4.8145 -4.8145 15 0 0 320 0 0 0
A-C -10.982 -3.9112 -71.6922 -86.5855 42 0 0 2866 5 12 12
A-D 0.0 0.0 -6.9424 -6.9424 9 0 1 354 0 0 0
A-I -2.1282 -1.6766 -67.3539 -71.1587 40 0 0 2820 1 15 12
A-K 0.0 0.0 -4.3465 -4.3465 20 0 1 361 0 0 9
A-L 0.0 0.0 -6.402 -6.402 8 0 0 224 0 0 0
A-S -3.2221 0.0 -21.9736 -25.1957 19 0 0 1083 3 12 17
B-I 0.0 0.0 -6.4475 -6.4475 7 0 1 336 0 0 0
B-K 0.0 0.0 -5.7808 -5.7808 8 0 0 186 0 0 0
C-D 0.0 0.0 -5.0317 -5.0317 16 0 0 313 0 0 0
C-E -4.2264 -8.7738 -41.0194 -54.0197 29 1 0 1884 1 14 12
C-F 0.0 0.0 -6.6805 -6.6805 9 0 1 322 0 0 0
C-Q 0.0 0.0 -17.648 -17.648 20 0 0 990 2 12 17
C-S 0.0 0.0 -4.8432 -4.8432 20 0 1 391 0 0 9
C-T 0.0 0.0 -5.2471 -5.2471 8 0 0 189 0 0 0
D-S 0.0 0.0 -4.8218 -4.8218 8 0 0 191 0 0 0
E-F 0.0 0.0 -4.3317 -4.3317 14 0 0 288 0 0 0
E-G -3.6078 -2.4919 -64.4138 -70.5135 37 2 0 2749 1 12 12
E-H -7.8571 0.0 -12.1673 -20.0244 10 2 1 363 0 0 0
E-O -2.6465 0.0 -23.7002 -26.3467 20 0 0 1118 3 12 18
E-Q 0.0 0.0 -4.5357 -4.5357 18 0 1 364 0 0 8
E-R 0.0 0.0 -4.8696 -4.8696 8 0 0 205 0 0 0
F-Q 0.0 0.0 -5.1039 -5.1039 8 0 0 195 0 0 0
G-H 0.0 0.0 -4.4327 -4.4327 15 0 0 307 0 0 0
G-I -4.5851 -2.2704 -64.3565 -71.212 42 0 0 2754 4 15 12
G-J -10.6986 0.0 -11.9533 -22.6519 9 1 1 377 0 0 0
G-M -41.1359 -20.9467 -33.4846 -95.5672 22 3 0 1333 4 12 17
G-O 0.0 0.0 -4.0284 -4.0284 21 0 1 351 0 0 8
G-P 0.0 0.0 -4.4235 -4.4235 9 0 0 242 0 0 0
H-O 0.0 0.0 -4.9018 -4.9018 7 0 0 158 0 0 0
I-J 0.0 0.0 -4.0968 -4.0968 14 0 0 290 0 0 0
I-K 0.0 -6.7997 -17.2117 -24.0114 19 0 0 982 2 11 15
I-M 0.0 0.0 -5.4282 -5.4282 19 0 1 421 0 1 9
I-N 0.0 0.0 -5.6725 -5.6725 9 0 0 226 0 0 0
J-M -2.1919 0.0 -4.769 -6.9609 8 0 0 192 0 0 0
K-L 0.0 0.0 -4.0175 -4.0175 15 0 0 274 0 0 0
K-M -15.9837 -10.0747 -67.6924 -93.7508 39 1 0 2841 3 12 12
K-N 0.0 0.0 -6.9705 -6.9705 8 0 1 307 0 0 0
K-S -5.1858 -1.9249 -70.4028 -77.5136 40 1 0 2825 2 12 12
L-S 0.0 0.0 -7.1188 -7.1188 9 0 1 342 0 0 0
M-N 0.0 0.0 -4.0426 -4.0426 16 0 0 300 0 0 0
M-O -12.4992 -8.8227 -63.8964 -85.2183 39 2 0 2677 4 12 12
M-P 0.0 0.0 -7.0958 -7.0958 9 0 1 352 0 0 0
O-P 0.0 0.0 -3.6731 -3.6731 15 0 0 269 0 0 0
O-Q -2.7065 -3.2878 -67.3946 -73.3889 38 0 0 2836 1 14 12
O-R 0.0 0.0 -7.0737 -7.0737 9 0 1 335 0 0 0
Q-R 0.0 0.0 -3.9306 -3.9306 15 0 0 309 0 0 0
Q-S -2.3528 -2.9569 -57.8608 -63.1705 40 0 0 2598 2 15 12
Q-T 0.0 0.0 -6.596 -6.596 9 0 1 341 0 0 0
S-T 0.0 0.0 -4.4795 -4.4795 14 0 0 286 0 0 0