2IAN
structural basis for recognition of mutant self by a tumor- specific, mhc class ii-restricted tcr
Total interactions analyzed 190
Total true interactions 62
Strongest Interaction Chains K-L
Int. Res. 195
Norm. En. per Res. -5.5015
Hub Node B(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 -170.7152 -79.1471 -724.528 -974.3903 194 38 12 27438 8 63 51
A-C -55.0993 -11.9397 -153.159 -220.1979 53 7 5 5982 0 6 6
A-D 0.0 -3.6686 -30.2356 -33.9042 20 3 0 1235 0 1 1
A-E 0.0 6.342 -39.5343 -33.1923 32 0 4 2084 0 2 3
A-S 0.0 6.8924 -0.217 6.6754 6 0 0 36 0 2 3
A-T 0.0 0.0 -0.0042 -0.0042 2 0 0 2 0 0 1
B-C -30.6041 -5.9227 -158.642 -195.1688 59 3 6 5848 0 7 5
B-D -2.9425 -21.502 -81.8216 -106.2661 48 6 1 3495 2 8 7
B-E 0.0 5.5133 -46.0549 -40.5416 25 5 0 1517 0 6 4
B-I 0.0 0.0 -77.073 -77.073 58 11 0 4055 0 7 9
B-Q 0.0 0.0 -0.2629 -0.2629 2 0 0 51 0 0 1
B-S -22.6372 -11.5512 -66.5065 -100.6949 51 2 0 3267 3 29 28
B-T 0.0 5.1563 -9.2625 -4.1062 11 0 0 619 0 7 5
C-D -9.3043 20.5638 -45.5551 -34.2956 24 3 0 1872 0 1 1
C-E -21.9301 2.4692 -45.642 -65.1029 25 6 0 1690 0 2 2
D-E -79.3115 -7.1169 88.5233 2.0949 221 20 16 24511 6 39 28
D-G -2.7007 0.0 -68.5254 -71.2261 58 12 0 3876 0 7 9
D-P 0.0 3.8031 -0.1466 3.6565 6 0 0 32 0 4 4
D-Q -7.6519 -4.042 -74.5275 -86.2214 50 2 0 3407 2 29 27
D-S 0.0 0.0 -0.7463 -0.7463 10 0 0 128 0 0 1
E-P 0.0 0.0 -0.0343 -0.0343 2 0 0 6 0 0 1
E-Q 0.0 6.0062 -18.993 -12.9868 12 0 0 839 0 7 5
F-G -188.5606 -95.6526 -723.482 -1007.6952 195 39 11 27950 9 69 61
F-H -44.4087 -11.2685 -164.916 -220.5932 55 11 5 6199 1 7 6
F-I -5.4337 -3.8806 -21.1201 -30.4345 20 3 0 1246 0 1 1
F-J 0.0 6.2564 -39.9748 -33.7184 30 0 4 2098 0 2 4
F-N 0.0 6.5776 -0.2672 6.3104 6 0 0 43 0 4 4
F-O 0.0 0.0 -0.1485 -0.1485 4 0 0 29 0 0 1
G-H -35.6399 -5.9726 -160.323 -201.9354 58 9 6 5895 0 6 5
G-I -9.1411 -15.3222 -83.0646 -107.5279 49 3 1 3540 1 8 7
G-J 0.0 4.3281 -46.1287 -41.8006 25 4 0 1468 0 6 4
G-L 0.0 0.0 -1.1243 -1.1243 2 0 0 80 0 0 1
G-N -23.3846 -13.3801 -66.5603 -103.325 52 3 0 3284 2 28 28
G-O 0.0 5.3769 -12.3418 -6.9649 12 0 0 728 0 8 5
H-I 0.0 16.066 -40.0647 -23.9987 24 2 1 1767 0 1 1
H-J -6.3002 1.2726 -52.929 -57.9566 25 2 0 1609 0 2 2
I-J -103.0931 -11.998 115.592 0.5009 218 32 16 24305 6 39 29
I-K 0.0 5.3117 -0.1412 5.1704 6 0 0 28 0 4 4
I-L -14.3543 -14.6815 -74.7422 -103.7779 50 2 0 3349 3 29 28
I-N 0.0 0.0 -0.7104 -0.7104 9 0 0 139 0 0 1
J-K 0.0 0.0 -0.0725 -0.0725 3 0 0 24 0 0 1
J-L 0.0 4.4512 -15.4354 -10.9842 12 0 0 785 0 7 5
K-L -229.9482 -88.5667 -754.269 -1072.7839 195 35 11 27769 11 67 55
K-M -69.7067 -2.4388 -159.574 -231.7194 55 8 5 5994 0 7 6
K-N -8.3372 -2.8332 -32.3504 -43.5208 19 2 0 1292 0 1 1
K-O -2.7389 4.4284 -38.3117 -36.6223 31 1 4 2026 0 2 3
L-M -43.5949 -6.1805 -165.897 -215.6724 56 10 6 5994 0 6 3
L-N -8.1792 -19.9373 -73.3904 -101.5069 49 3 1 3299 2 8 7
L-O -6.6245 4.591 -44.8445 -46.878 25 6 0 1522 0 6 4
M-N 0.0 14.8968 -43.4514 -28.5546 24 1 1 1804 0 1 1
M-O -11.1532 1.2834 -53.2554 -63.1252 25 4 0 1641 0 2 2
N-O -113.4603 -11.6925 80.0525 -45.1002 212 36 17 24072 6 39 27
P-Q -190.1078 -103.6837 -744.022 -1037.8135 197 37 11 27953 10 67 55
P-R -59.7982 -6.8021 -158.9 -225.5003 53 7 5 5983 0 6 5
P-S -4.714 -3.5346 -30.9644 -39.213 19 1 0 1257 0 1 1
P-T 0.0 2.6917 -36.1721 -33.4804 30 1 3 1986 0 2 4
Q-R -26.8242 -6.1509 -153.322 -186.2971 56 6 6 5868 0 6 3
Q-S -6.1426 -27.6647 -78.5992 -112.4065 47 7 1 3439 3 7 7
Q-T 0.0 3.4854 -46.6688 -43.1834 25 2 0 1474 0 6 4
R-S -3.7855 14.3839 -45.7251 -35.1267 25 1 1 1818 0 1 1
R-T -11.7816 1.4361 -48.7989 -59.1444 24 4 0 1668 0 2 2
S-T -74.3974 -15.7771 187.881 97.7065 219 32 17 23942 6 39 26