3KXF
crystal structure of sb27 tcr in complex with the 'restriction triad' mutant hla-b*3508-13mer
Total interactions analyzed 190
Total true interactions 52
Strongest Interaction Chains I-J
Int. Res. 125
Norm. En. per Res. -4.1206
Hub Node C(9)
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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 -44.1287 -110.5199 -359.955 -514.6037 125 18 2 12338 5 48 41
A-C 0.0 -8.6862 -75.9922 -84.6784 52 4 0 3286 0 12 12
A-D -2.5174 -19.8248 -91.716 -114.0582 48 2 2 3606 3 13 20
A-E -15.4129 0.0 -34.8083 -50.2212 32 1 4 1527 3 6 8
A-K -8.4916 -6.443 -93.0105 -107.9451 53 6 0 3542 2 26 20
A-L -3.4418 23.6936 -28.4309 -8.1792 27 1 0 1289 3 11 16
A-Q -19.7848 -11.4805 -296.1 -327.3653 95 11 5 10455 2 8 4
A-J 0.0 0.0 -0.1852 -0.1852 4 0 0 46 0 4 4
B-K 0.0 0.0 -0.0565 -0.0565 5 0 0 15 0 4 4
C-D -6.0766 -38.8886 -42.79 -87.7552 48 3 0 2532 1 16 21
C-E -7.992 -11.3451 -66.4879 -85.825 48 2 0 2670 1 20 17
C-F -56.0813 -96.1187 -341.566 -493.7661 121 16 2 12131 6 47 41
C-G -23.281 1.2532 -91.5509 -113.5786 48 4 2 3591 1 15 17
C-H -5.7918 -38.6593 -40.4537 -84.9048 31 2 4 1645 3 6 8
C-L 0.0 0.0 -0.5811 -0.5811 12 0 0 121 0 4 4
C-R 0.0 -33.0261 -292.181 -325.2071 96 18 6 10379 1 8 4
C-I -24.7672 -4.8996 -90.3128 -119.9796 45 3 0 3198 2 25 17
C-J 0.0 21.1163 -3.9632 17.1531 14 0 0 200 2 8 7
D-E -45.741 -24.0397 188.087 118.3062 221 25 16 23226 7 48 35
D-Q -17.8025 0.0 -73.3278 -91.1303 24 3 1 2217 0 0 1
D-I 0.0 0.0 -0.2458 -0.2458 3 0 0 42 0 0 0
D-O -14.7394 -6.3887 -38.2824 -59.4106 31 6 0 1534 0 10 12
E-K 0.0 -4.7348 -10.6082 -15.343 25 0 0 706 0 12 14
E-L 0.0 4.6111 -2.9985 1.6125 11 0 0 316 0 9 11
E-Q -25.8645 0.0 -79.1771 -105.0416 33 3 0 2701 0 0 0
E-O 0.0 -4.5636 -5.7334 -10.297 12 0 0 374 0 5 2
F-R 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
F-I 0.0 -10.242 -15.5397 -25.7817 25 1 0 887 1 15 14
F-O 0.0 -1.937 -1.5403 -3.4773 10 3 0 186 0 7 7
F-S 0.0 0.0 -0.1156 -0.1156 4 0 0 26 0 0 0
G-H -55.5051 -73.5823 147.091 18.0036 218 27 15 23259 6 46 37
G-K 0.0 0.0 -0.0465 -0.0465 3 0 0 23 0 0 0
G-P -12.6434 7.1608 -37.2346 -42.7172 29 3 0 1482 0 11 13
G-R -14.0205 0.0 -67.1014 -81.1219 23 3 1 2130 0 0 1
H-P 0.0 -14.7548 -9.0995 -23.8543 9 0 0 308 2 3 3
H-R -20.2772 0.0 -77.7592 -98.0364 32 4 0 2683 0 0 0
K-L -42.6161 -78.8258 -378.926 -500.3679 124 10 2 12862 3 47 42
K-N -6.569 -21.4672 -101.363 -129.3991 48 3 2 4255 2 14 19
K-P 0.0 0.0 -22.0314 -22.0314 30 0 1 1226 2 5 8
K-T -9.5168 -27.3427 -276.081 -312.9405 95 17 6 10160 2 8 4
L-Q 0.0 0.0 -1.8926 -1.8926 5 0 0 136 0 0 0
L-T 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
N-P -36.2035 5.5457 126.087 95.4293 220 25 17 23441 6 47 37
N-T -12.436 0.0 -65.985 -78.421 22 1 1 2148 0 0 2
P-T -22.5552 0.0 -69.1965 -91.7517 30 8 0 2539 0 0 0
I-J -54.2795 -107.0015 -353.792 -515.073 125 22 2 12536 5 46 40
I-M -2.1338 12.9477 -100.479 -89.6651 46 1 2 3906 0 12 18
I-O 0.0 0.0 -32.8133 -32.8133 31 1 2 1363 3 5 7
I-S -16.6619 -40.1332 -285.425 -342.2202 95 13 7 10336 2 8 4
M-O -49.3792 -23.7824 192.13 118.9685 225 35 16 22841 6 46 37
M-S -16.7163 0.0 -68.8924 -85.6087 24 3 1 2108 0 0 1
O-S -24.5146 0.0 -65.842 -90.3566 29 3 0 2447 0 0 0