3HAE
rational development of high-affinity t-cell receptor-like antibodies
Total interactions analyzed 190
Total true interactions 38
Strongest Interaction Chains R-S
Int. Res. 20
Norm. En. per Res. -3.9457
Hub Node J(6)
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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 -43.2329 -94.6737 -341.573 -479.4796 128 25 2 13006 4 41 39
A-D 0.0 0.0 -16.8494 -16.8494 19 2 0 736 0 2 3
A-C -35.9213 0.0 -239.795 -275.7163 85 16 6 9160 0 0 0
A-L -3.4639 -40.982 -54.2603 -98.7062 49 9 1 2901 4 6 8
A-H -9.4892 -3.5165 -116.46 -129.4657 68 4 1 4977 0 9 11
D-E -29.428 -77.7067 -346.013 -453.1478 124 16 2 12792 4 43 40
D-F -39.3056 0.0 -255.107 -294.4126 86 21 8 9655 0 0 0
D-G -6.2883 -47.7793 -67.0557 -121.1233 52 5 2 2944 3 7 9
D-I -11.9709 -3.2048 -112.178 -127.3537 73 13 1 5259 0 10 12
J-K -45.3701 -78.352 -314.012 -437.7342 127 22 2 12598 3 44 42
J-M -43.4879 0.0 -239.358 -282.8459 82 20 5 9408 0 0 0
J-G 0.0 0.0 -0.0385 -0.0385 5 0 0 12 0 1 1
J-N -23.0815 -43.9342 -58.5666 -125.5823 44 6 1 2608 3 7 7
J-H 0.0 0.0 -0.1991 -0.1991 4 0 0 41 0 0 0
J-O -10.4615 -2.3687 -58.8965 -71.7266 52 2 1 3017 0 9 8
K-I -22.6782 -18.2476 -76.4582 -117.3839 43 6 0 3425 0 7 8
P-Q -38.8742 -68.6659 -364.964 -472.5041 126 20 2 12885 4 41 37
P-R -26.1834 0.0 -259.01 -285.1934 85 10 5 9408 0 0 0
P-G -7.9578 -0.0093 -33.2744 -41.2416 33 9 0 1903 0 7 6
P-S -8.4746 -43.4342 -73.3961 -125.3049 55 2 2 3219 4 7 8
P-T -9.2041 0.3322 -66.6124 -75.4843 50 3 1 3302 0 8 9
C-L -6.8859 0.0 -58.5234 -65.4093 23 10 0 2318 0 0 0
C-H -2.697 0.0 -77.4533 -80.1503 32 7 0 2522 0 0 0
F-G -10.0825 0.0 -67.7735 -77.856 22 6 0 2317 0 0 0
F-I -17.7509 0.0 -77.7484 -95.4993 30 3 0 2447 0 0 0
M-N -4.3277 0.0 -63.6947 -68.0224 22 2 0 2175 0 0 0
M-O -13.1795 0.0 -32.3774 -45.5569 26 2 0 1294 0 0 0
R-S -11.6065 0.0 -67.3078 -78.9143 20 3 0 2213 0 0 0
R-T 0.0 0.0 -37.3732 -37.3732 26 0 0 1404 0 0 0
L-N 0.0 0.0 -8.8918 -8.8918 31 1 1 727 0 12 11
L-H -27.5892 -28.3998 -475.214 -531.203 186 14 14 17953 2 21 18
L-O 0.0 0.0 -14.618 -14.618 19 1 0 700 0 2 4
G-I -22.7987 -17.0842 -445.544 -485.4269 189 18 14 17725 1 25 20
G-T 0.0 1.3048 -3.4186 -2.1138 10 0 0 342 0 2 4
N-H -7.7049 0.0 -41.5282 -49.2331 25 5 0 1807 0 1 2
N-O -59.5123 -29.7783 -466.628 -555.9186 192 11 14 17826 2 24 17
S-T -45.6422 -32.3346 -447.666 -525.6429 187 29 14 17391 2 25 19
H-O 0.0 0.0 -0.0912 -0.0912 3 0 0 24 0 3 1