3TCX
structure of engineered single domain icam-1 d1 with high-affinity al integrin i domain of native c-terminal helix conformation
Total interactions analyzed 378
Total true interactions 63
Strongest Interaction Chains Z-b
Int. Res. 67
Norm. En. per Res. -5.4717
Hub Node B(6)
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-B -35.3997 1.9712 -170.128 -203.5564 64 11 1 6601 2 18 18
A-C -8.6244 -27.4283 -53.0266 -89.0793 51 7 0 2768 3 6 3
A-D 0.0 0.0 -0.0036 -0.0036 4 0 0 5 0 0 0
A-S -7.2324 0.0 -58.2306 -65.463 36 4 0 2405 0 2 1
B-C 0.0 0.0 -0.0032 -0.0032 4 0 0 5 0 0 0
B-D -2.26 -95.7029 -96.036 -193.9989 64 21 0 4888 8 36 46
B-F -10.1964 4.77 -45.1609 -50.5873 48 10 0 3283 0 26 34
B-H 0.0 0.0 -0.0006 -0.0006 2 0 0 2 0 3 1
B-J 0.0 -4.9908 -23.8031 -28.7939 23 10 0 1283 0 19 17
B-T 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 0
C-D -21.4769 2.3043 -176.295 -195.4676 65 6 1 6624 2 17 17
C-V 0.0 0.0 -12.6416 -12.6416 15 0 0 702 0 2 2
C-X -3.1742 0.0 -38.7104 -41.8846 39 16 0 2329 0 5 8
C-a 0.0 0.0 -49.9299 -49.9299 36 1 0 2165 0 2 1
D-H -15.7047 -35.6286 -0.6359 -51.9692 21 22 0 1280 4 9 15
D-J 0.0 12.6171 -3.0481 9.569 32 0 0 591 0 23 23
D-N 0.0 0.0 -2.7279 -2.7279 15 0 0 268 0 6 8
D-X -18.5646 -27.2552 -21.9654 -67.7852 34 3 0 1504 1 21 25
D-b 0.0 0.0 -0.0021 -0.0021 2 0 0 3 0 0 0
E-F -37.5674 20.2491 -162.743 -180.0612 62 2 1 6212 2 15 17
E-G -10.3671 -37.8584 -41.2075 -89.433 51 11 0 2680 4 6 3
E-H 0.0 0.0 -0.0034 -0.0034 3 0 0 5 0 0 0
E-I -11.0114 4.8754 -26.065 -32.201 30 14 0 2164 0 1 1
F-G 0.0 0.0 -0.0038 -0.0038 3 0 0 6 0 0 0
F-H -68.3392 -106.2565 -111.683 -286.2787 67 8 0 4615 6 39 41
F-T -13.3196 -25.9854 -9.4369 -48.7418 26 5 0 1137 2 21 17
G-H -17.2709 0.869 -172.824 -189.226 65 12 1 6558 2 18 17
H-T 0.0 6.2395 -3.3517 2.8878 16 0 0 223 0 13 16
I-J -27.0981 20.2611 -163.388 -170.2251 61 5 1 6307 2 15 17
I-K -7.722 -31.8917 -36.2843 -75.898 40 9 0 1715 4 4 3
I-L 0.0 0.0 -0.0012 -0.0012 3 0 0 3 0 0 0
I-N 0.0 0.0 -20.5297 -20.5297 13 0 1 767 0 0 0
J-K 0.0 0.0 -0.0017 -0.0017 3 0 0 5 0 0 0
J-L -86.066 -117.0826 -136.045 -339.1936 64 13 0 4757 8 34 38
J-b 0.0 14.5296 -1.4588 13.0709 16 0 0 262 0 18 15
K-L -22.7082 22.5021 -150.599 -150.8051 60 8 1 6478 2 16 17
M-N -31.0978 19.2003 -166.035 -177.9324 62 5 1 6318 2 15 17
M-O -4.8188 -27.4785 -33.7574 -66.0547 44 8 0 1893 4 4 3
M-P 0.0 0.0 -0.0015 -0.0015 3 0 0 4 0 0 0
M-W 0.0 0.0 -52.0874 -52.0874 36 5 0 2335 0 2 1
N-O 0.0 0.0 -0.0007 -0.0007 3 0 0 2 0 0 0
N-P -92.7954 -111.0689 -122.81 -326.6743 61 6 0 4630 6 35 38
O-P -23.64 21.5968 -167.062 -169.1052 64 5 1 6322 2 16 17
Q-R -22.3138 21.7448 -161.257 -161.826 64 10 1 6529 2 16 18
Q-S -10.0875 -30.5621 -31.257 -71.9066 39 8 0 1675 4 4 3
Q-T 0.0 0.0 -0.0014 -0.0014 3 0 0 4 0 0 0
R-S 0.0 0.0 -0.0015 -0.0015 3 0 0 4 0 0 0
R-T -49.3429 -103.4545 -114.464 -267.2615 56 12 0 4129 7 34 38
S-T -28.0468 2.0521 -171.257 -197.2516 65 7 1 6615 2 16 18
U-V -26.6529 22.3458 -150.993 -155.3001 63 5 1 6384 2 15 17
U-W -6.1558 -31.6538 -34.4704 -72.2801 38 6 0 1562 4 4 3
U-X 0.0 0.0 -0.0007 -0.0007 3 0 0 2 0 0 0
V-W 0.0 0.0 -0.0008 -0.0008 3 0 0 2 0 0 0
V-X -63.0655 -104.7821 -116.848 -284.6955 58 4 0 4184 8 34 38
V-Y 0.0 0.0 -0.0005 -0.0005 2 0 0 1 0 0 0
V-Z 0.0 2.4055 -0.0018 2.4038 2 0 0 2 0 5 6
W-X -23.8541 21.2967 -164.519 -167.0764 62 7 1 6366 2 14 16
Y-Z -28.69 2.2128 -174.26 -200.7372 64 4 1 6500 2 17 17
Y-a 0.0 -16.8318 -18.3037 -35.1355 32 0 0 1119 0 4 3
Y-b 0.0 0.0 -0.0006 -0.0006 3 0 0 2 0 0 0
Z-a 0.0 0.0 -0.0006 -0.0006 3 0 0 2 0 0 0
Z-b -102.0355 -122.4624 -142.105 -366.6029 67 18 0 5027 8 36 39
a-b -33.3379 2.8471 -173.544 -204.0348 65 9 1 6516 2 17 18