3PQY
crystal structure of 6218 tcr in complex with the h2db-pa224
Total interactions analyzed 190
Total true interactions 47
Strongest Interaction Chains A-C
Int. Res. 86
Norm. En. per Res. -4.3647
Hub Node A(9)
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 -42.9848 -68.7654 -334.17 -445.9202 117 22 1 12119 4 42 39
A-C -47.3909 1.2547 -329.231 -375.3673 86 25 7 10686 0 8 11
A-D 0.0 -0.511 -39.0443 -39.5553 42 1 0 1754 0 5 3
A-E -17.3233 -17.5334 -69.8619 -104.7186 45 7 1 3123 3 14 18
A-K 0.0 -9.4489 -115.727 -125.1758 50 1 3 4442 0 6 4
A-M 0.0 0.0 -0.0526 -0.0526 2 0 0 8 0 0 0
A-N 0.0 0.0 -0.0021 -0.0021 2 0 0 2 0 1 0
A-O -24.7399 -4.7817 -91.3529 -120.8745 52 5 0 3767 0 11 20
A-P -9.3911 -7.3926 -100.201 -116.9847 90 6 0 5148 0 38 30
B-O 0.0 -35.9565 -40.5337 -76.4902 54 2 0 2062 4 24 18
C-D -15.3734 0.0 -84.9985 -100.3719 25 5 0 2390 0 2 3
C-E -6.9833 1.2733 -33.9518 -39.6618 20 2 1 1339 0 3 2
C-K 0.0 0.0 -0.0381 -0.0381 2 0 0 7 0 0 0
D-E -33.7841 2.5216 284.821 253.5586 194 33 15 20911 0 47 32
D-I -5.9508 5.8826 -112.348 -112.4162 61 17 4 5365 0 4 10
E-K -17.2614 -6.8831 -76.0846 -100.2291 56 7 0 3901 0 10 17
E-L -2.1228 -19.9606 -34.595 -56.6784 51 6 0 2106 2 26 17
F-G -16.485 -60.4911 -327.027 -404.0032 115 33 1 12105 3 40 42
F-H -58.655 6.8367 -332.347 -384.1653 90 16 7 10615 0 9 10
F-I -3.1015 0.0 -25.9835 -29.085 39 0 0 1347 0 5 3
F-J -32.5859 -17.1012 -52.4989 -102.1859 44 8 1 2966 4 13 19
F-K -9.0005 -10.2744 -31.571 -50.8458 67 2 0 2135 0 23 22
F-P -5.1149 -8.5591 -115.23 -128.904 52 7 3 4439 0 6 3
F-R 0.0 0.0 -0.0369 -0.0369 2 0 0 10 0 0 0
F-T -22.6905 -5.3496 -77.7067 -105.7468 54 2 0 3341 1 10 18
G-T 0.0 -15.4388 -38.8216 -54.2604 52 4 0 2116 1 24 16
H-I -13.4079 0.0 -80.6771 -94.085 25 0 0 2314 0 2 3
H-J -8.2354 1.4169 -39.1124 -45.931 21 2 1 1388 0 3 2
H-P 0.0 0.0 -0.0559 -0.0559 3 0 0 12 0 0 0
I-J -35.4306 49.9702 298.734 313.2736 196 50 12 22420 2 50 30
J-P -8.8922 -6.1133 -71.3176 -86.3231 52 4 0 3380 0 9 17
J-Q 0.0 2.5435 -28.4292 -25.8857 42 1 0 1477 0 23 18
K-L -26.4595 -84.985 -323.264 -434.7085 118 30 1 12039 6 38 37
K-M -51.6782 5.0272 -330.77 -377.421 91 14 7 10683 0 9 12
K-N 0.0 0.0 -26.7351 -26.7351 38 1 0 1333 0 5 5
K-O -15.3211 -26.8165 -69.8806 -112.0182 45 6 1 3133 3 16 20
M-N -23.2234 0.0 -73.9243 -97.1477 26 10 0 2407 0 2 3
M-O 0.0 2.4962 -34.8356 -32.3394 21 0 1 1364 0 3 2
N-O -44.4115 13.7188 293.978 263.2853 187 30 14 20612 0 45 29
N-S -6.0881 5.8839 -117.225 -117.4292 60 14 3 5228 0 6 11
P-Q -22.5302 -67.7944 -325.687 -416.0116 119 26 1 11965 3 41 35
P-R -59.7982 0.5137 -332.128 -391.4125 91 24 7 10681 0 10 11
P-S 0.0 0.0 -37.6699 -37.6699 42 0 0 1693 0 5 3
P-T -16.0539 -21.6333 -68.2811 -105.9683 46 14 0 3091 3 12 21
R-S -25.3494 0.0 -79.2554 -104.6048 24 7 0 2409 0 2 3
R-T 0.0 1.213 -30.3023 -29.0893 19 2 1 1275 0 3 2
S-T -29.0666 15.9219 331.808 318.6633 186 27 13 19505 3 39 26