2AK4
crystal structure of sb27 tcr in complex with hla-b*3508- 13mer peptide
Total interactions analyzed 190
Total true interactions 47
Strongest Interaction Chains F-G
Int. Res. 122
Norm. En. per Res. -4.5675
Hub Node A(10)
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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 -64.8772 -102.1289 -375.852 -542.8581 124 9 2 12668 5 47 43
A-C -9.5539 -34.1457 -308.279 -351.9786 96 12 4 10864 2 8 4
A-D -8.0206 13.0107 -83.2181 -78.228 50 3 1 3730 0 12 17
A-E -7.3534 0.0 -26.1535 -33.5069 37 0 1 1513 1 7 9
A-F 0.0 -4.3538 -70.9678 -75.3216 53 5 0 3258 0 12 13
A-I -11.5611 10.4431 -123.854 -124.972 59 21 0 5445 0 25 26
A-J 0.0 -6.8086 -41.0091 -47.8177 29 3 0 1566 0 10 10
A-K -26.4763 -3.2378 -89.4624 -119.1765 47 2 0 3328 3 24 19
A-L 0.0 6.7502 -0.4061 6.344 8 0 0 66 0 4 6
A-P 0.0 0.0 -0.5526 -0.5526 7 0 0 76 0 2 1
B-K 0.0 -12.6053 -15.2787 -27.884 19 0 0 887 0 10 10
B-P 0.0 4.0101 -0.9998 3.0103 9 0 0 139 0 5 6
C-D -17.8172 0.0 -69.6237 -87.4409 23 2 1 2207 0 0 1
C-E -21.5165 0.0 -85.511 -107.0275 34 2 0 2764 0 0 0
D-E -75.2411 -55.4794 245.669 114.9485 215 29 17 23001 6 37 34
D-U -35.5923 10.642 -34.4287 -59.379 36 8 0 1583 0 7 7
E-U 0.0 0.0 -2.4253 -2.4253 6 0 0 187 0 1 0
F-G -68.7116 -108.7931 -379.731 -557.2356 122 8 2 12669 5 47 43
F-H -8.6131 -33.2725 -303.092 -344.9776 95 17 4 10950 2 8 4
F-I -8.7915 9.0479 -91.3607 -91.1043 46 4 1 3890 0 12 17
F-J 0.0 -0.7941 -26.4134 -27.2075 37 0 1 1571 1 7 8
F-Q -22.7053 -8.7763 -81.7141 -113.1957 45 8 0 3164 1 23 22
F-R 0.0 2.4909 -15.7974 -13.3065 18 1 0 851 1 11 12
G-H 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
G-Q 0.0 0.0 -0.1032 -0.1032 3 0 0 10 0 3 4
H-I -15.7019 0.0 -71.2131 -86.915 22 2 1 2203 0 0 1
H-J -30.7628 0.0 -89.864 -120.6268 33 6 0 2773 0 0 0
H-R 0.0 0.0 -0.0341 -0.0341 4 0 0 18 0 0 0
I-J -59.4449 -67.9144 235.16 107.8007 219 23 16 23012 6 41 35
I-P -16.9738 7.9438 -24.7741 -33.8041 29 5 0 1197 0 5 8
J-P 0.0 0.0 -0.2427 -0.2427 5 0 0 56 0 0 0
J-Q 0.0 0.0 -8.407 -8.407 27 0 0 465 0 11 14
J-R -3.6772 0.0 -5.536 -9.2132 14 0 0 293 0 5 10
K-L -62.404 -107.6324 -389.521 -559.5573 124 9 2 13053 6 47 43
K-M -14.1714 -33.5538 -293.113 -340.8382 96 20 3 10679 2 8 4
K-N -17.1549 -20.631 -115.014 -152.7999 47 8 1 4387 1 14 20
K-P 0.0 0.0 -25.9705 -25.9705 29 0 0 1210 0 6 7
M-N -10.4415 0.0 -71.0256 -81.4671 22 1 1 2164 0 0 1
M-P -23.1613 0.0 -66.7165 -89.8778 28 5 0 2124 0 0 0
N-P -51.5006 -13.638 118.855 53.7165 224 28 16 24033 6 45 34
Q-R -57.3999 -93.5897 -377.282 -528.2715 124 12 2 12710 3 46 42
Q-S -10.7208 -34.9941 -298.75 -344.465 97 11 3 10692 2 8 4
Q-T -14.6883 -21.156 -119.098 -154.9423 46 10 1 4472 1 14 19
Q-U 0.0 0.0 -13.4412 -13.4412 23 0 1 733 0 5 5
S-T -10.4823 0.0 -66.7432 -77.2255 22 1 1 2120 0 0 2
S-U -18.3707 0.0 -73.3352 -91.7059 30 2 0 2360 0 0 0
T-U -56.1431 -17.6497 115.991 42.1982 213 26 17 21573 6 37 28