3E3Q
structure of the 3alpham13 high-affinity mutant of the 2c tcr in complex with ld/ql9
Total interactions analyzed 496
Total true interactions 70
Strongest Interaction Chains U-X
Int. Res. 84
Norm. En. per Res. -3.919
Hub Node C(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-Q -23.3062 -4.9317 -295.962 -324.2 83 32 7 10541 0 6 2
A-D -4.3694 -2.1787 -111.31 -117.8581 48 3 3 3693 0 7 5
A-E -16.5688 -0.8046 -52.0042 -69.3776 46 1 1 2739 0 4 7
A-R -28.6318 -48.3492 -59.9668 -136.9479 45 23 3 3645 5 16 18
Q-D 0.0 0.0 -29.49 -29.49 22 1 0 1221 0 0 0
Q-E -18.3695 -5.553 -51.4477 -75.3702 22 3 0 1283 0 2 2
D-E -16.7951 15.0977 -189.744 -191.4415 82 2 4 8035 0 6 9
D-P -10.3855 -33.8001 -62.7587 -106.9442 45 6 2 2924 3 17 17
D-R 0.0 8.3104 -25.4785 -17.1681 12 0 0 722 0 4 5
D-V 0.0 18.4746 -26.1279 -7.6533 38 17 0 2037 0 8 14
D-W 0.0 0.0 -0.0378 -0.0378 3 0 0 25 0 0 2
E-W 0.0 0.0 -1.4947 -1.4947 6 0 0 183 0 0 1
B-G -24.7798 -4.9841 -298.532 -328.296 85 32 7 10475 0 6 2
B-C 0.0 -2.1849 -115.036 -117.2209 50 5 3 3701 0 7 5
B-F -16.6669 1.8484 -52.0017 -66.8202 46 1 1 2656 0 4 7
B-Z -24.9951 -44.4623 -74.5583 -144.0157 47 21 3 3644 6 17 18
G-C 0.0 0.0 -30.5643 -30.5643 22 1 0 1222 0 0 0
G-F -18.3656 -5.7032 -51.6189 -75.6877 23 3 0 1315 0 2 2
C-F -32.5101 9.1329 -196.088 -219.4652 82 8 4 8239 0 6 9
C-d 0.0 24.7294 -28.4371 -3.7077 39 16 0 1882 0 8 13
C-e 0.0 0.0 -0.0353 -0.0353 3 0 0 26 0 0 2
C-Y -23.3753 -39.0662 -59.0011 -121.4426 45 9 2 3002 3 17 17
C-Z 0.0 7.995 -23.8548 -15.8598 12 0 0 716 0 4 3
F-d 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 1
F-e 0.0 0.0 -1.519 -1.519 7 0 0 184 0 0 1
c-f -24.3416 -5.0754 -299.199 -328.6159 87 30 7 10528 0 6 2
c-d -5.8172 -1.1436 -107.357 -114.3178 48 2 2 3776 0 7 7
c-e -15.0718 -0.8495 -54.005 -69.9262 45 3 1 2666 0 4 7
c-M -10.2696 -34.6302 -57.0427 -101.9425 45 6 2 2899 3 17 17
f-d 0.0 0.0 -32.102 -32.102 22 2 0 1295 0 0 0
f-e -16.6971 -5.64 -49.2281 -71.5652 22 2 0 1318 0 2 2
d-e -21.078 11.4069 -199.563 -209.2341 82 7 3 8365 0 5 9
d-L -35.4445 -44.5002 -66.5439 -146.4886 47 16 3 3590 5 17 18
d-M 0.0 8.1245 -24.7515 -16.627 11 0 0 708 0 4 5
H-K -22.0788 -4.8442 -295.003 -321.926 84 33 7 10483 0 6 2
H-I 0.0 -2.1932 -114.647 -116.8402 50 5 3 3698 0 7 5
H-J -17.9005 -0.8146 -51.9463 -70.6613 46 1 1 2652 0 4 7
H-P -70.0412 5.0653 -272.567 -337.5429 127 25 0 11324 10 65 59
H-V -28.1666 -41.7219 -81.3314 -151.2199 48 20 3 3641 5 17 18
K-I 0.0 0.0 -28.1785 -28.1785 22 1 0 1186 0 0 0
K-J -18.446 -5.5208 -51.5184 -75.4852 22 3 0 1302 0 2 2
I-J -32.7 15.1155 -185.894 -203.4785 82 8 4 8162 0 6 9
I-U -12.1891 -35.8492 -59.041 -107.0794 43 6 1 2877 3 17 16
I-V 0.0 8.1079 -23.1982 -15.0903 10 0 0 693 0 4 3
L-O -18.6002 -5.2149 -299.419 -323.234 83 32 7 10507 0 6 2
L-M -2.8638 -2.1579 -117.28 -122.3017 50 5 3 3749 0 7 5
L-N -18.178 -0.8072 -53.1032 -72.0883 46 2 1 2768 0 4 7
L-S 0.0 0.0 -5.5023 -5.5023 11 0 0 356 0 4 4
L-Y -69.0219 5.178 -266.573 -330.417 127 26 0 11236 11 65 59
O-M 0.0 0.0 -28.5819 -28.5819 22 1 0 1203 0 0 0
O-N -17.1055 -5.5613 -49.7995 -72.4663 23 2 0 1294 0 2 2
M-N -18.0985 14.7362 -186.495 -189.8573 82 4 4 7987 0 6 9
P-T -29.4542 -5.1148 -297.288 -331.857 87 32 7 10545 0 6 2
P-R -6.1748 -1.1322 -106.367 -113.674 47 2 2 3710 0 7 7
P-S -15.7666 -0.8332 -56.914 -73.5138 45 3 1 2723 0 4 8
T-R 0.0 0.0 -31.018 -31.018 22 2 0 1256 0 0 0
T-S -17.1637 -5.5954 -55.0855 -77.8446 22 2 0 1354 0 2 2
R-S -30.4604 11.2602 -190.976 -210.1762 82 6 3 8240 0 5 9
U-X -21.1107 -5.0649 -303.021 -329.1966 84 35 7 10486 0 6 2
U-V -11.3772 -1.1729 -107.382 -119.9321 48 4 2 3727 0 7 8
U-W -13.8416 -0.8469 -55.678 -70.3664 47 4 1 2722 0 4 7
X-V 0.0 0.0 -33.4401 -33.4401 22 2 0 1324 0 0 0
X-W -18.0857 -5.739 -50.461 -74.2857 22 3 0 1334 0 2 2
V-W -20.8936 9.9832 -204.288 -215.1984 84 7 3 8445 0 5 9
Y-b -18.9444 -5.1156 -303.419 -327.479 84 28 7 10504 0 6 2
Y-Z -12.3807 -1.1252 -98.6306 -112.1364 47 3 2 3682 0 7 7
Y-a -16.6039 -0.8446 -56.5924 -74.0409 45 4 1 2747 0 4 7
b-Z 0.0 0.0 -31.636 -31.636 22 2 0 1313 0 0 0
b-a -11.0341 -5.5568 -54.17 -70.761 22 1 0 1339 0 2 2
Z-a -24.1538 11.338 -199.091 -211.9068 81 9 4 8394 0 5 9