3KO0
structure of the tfp-ca2+-bound activated form of the s100a4 metastasis factor
Total interactions analyzed 190
Total true interactions 54
Strongest Interaction Chains A-B
Int. Res. 114
Norm. En. per Res. -3.8875
Hub Node A(5)
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 -46.0616 -8.5988 -388.52 -443.1804 114 10 15 14957 0 23 22
A-C 0.0 0.0 -14.6612 -14.6612 26 0 0 893 0 4 1
A-D -14.5081 2.2935 -48.7196 -60.9342 25 4 0 1734 0 8 10
A-I 0.0 0.0 -0.5769 -0.5769 5 0 0 95 0 8 5
A-J -23.9136 4.2593 -48.3451 -67.9994 29 6 0 2134 0 9 12
B-C 0.0 3.89 -37.3422 -33.4522 25 2 0 1490 0 8 10
B-D 0.0 0.0 -0.0943 -0.0943 6 0 0 22 0 8 5
B-I 0.0 0.0 -2.1621 -2.1621 12 0 0 233 0 7 8
B-J 0.0 0.0 -15.019 -15.019 30 0 0 976 0 5 1
C-D -44.4636 -2.2618 -370.47 -417.1954 110 15 15 14698 0 22 21
C-E -9.7522 -3.577 -37.6014 -50.9306 25 1 0 1422 0 8 11
C-F 0.0 0.0 -0.0152 -0.0152 7 0 0 14 0 8 5
C-O -12.8292 -4.9211 -52.2062 -69.9565 33 8 0 2183 0 14 11
D-E 0.0 0.0 -16.0404 -16.0404 29 0 0 945 0 4 2
D-F -11.5449 3.6967 -22.672 -30.5201 23 3 0 1133 0 9 11
D-O 0.0 0.0 -0.6107 -0.6107 10 0 0 90 0 3 0
D-P -10.9096 -31.4993 -24.7007 -67.1095 19 1 0 1088 1 9 11
E-F -28.6345 -5.0263 -364.183 -397.8438 111 25 15 14770 0 22 20
E-G 0.0 4.0258 -15.7851 -11.7593 20 1 0 840 0 4 5
E-H 0.0 0.0 -0.005 -0.005 4 0 0 4 0 8 5
E-Q 0.0 0.0 -0.0183 -0.0183 2 0 0 2 0 0 1
F-G 0.0 0.0 -13.7327 -13.7327 26 0 0 851 0 1 1
F-H 0.0 0.0 -0.2406 -0.2406 10 0 0 52 0 1 0
G-H -36.3831 -4.8388 -354.373 -395.5949 113 17 16 14486 0 23 18
G-I -7.8277 5.759 -42.0821 -44.1508 26 3 0 1751 0 8 11
G-J 0.0 0.0 -0.1007 -0.1007 4 0 0 43 0 8 5
H-I 0.0 5.6015 -21.6472 -16.0457 31 0 0 1142 0 3 3
H-J 0.0 15.2338 -16.1758 -0.942 21 6 0 971 0 8 10
I-J -50.2631 -3.8632 -362.937 -417.0633 112 10 17 14785 0 22 19
K-L -49.7318 -7.4584 -384.882 -442.0723 114 11 15 14723 0 21 20
K-M 0.0 0.0 -0.0015 -0.0015 2 0 0 1 0 8 5
K-N -13.4094 6.445 -43.9707 -50.9351 28 4 0 1933 0 8 11
K-S 0.0 0.0 -15.9287 -15.9287 29 0 0 1011 0 4 1
K-T 0.0 0.0 -4.6143 -4.6143 19 7 0 507 0 6 10
L-M -2.1607 -0.9262 -38.6746 -41.7615 27 3 0 1423 0 8 11
L-N 0.0 0.0 -16.8867 -16.8867 28 0 0 873 0 4 1
L-S -14.5132 7.3023 -48.1634 -55.3743 28 9 0 2286 0 9 12
L-T 0.0 0.0 -0.032 -0.032 9 0 0 29 0 8 5
M-N -30.3752 -7.4475 -349.025 -386.8476 112 16 17 14780 0 22 22
M-O 0.0 4.1735 -26.0194 -21.8458 22 1 0 1162 0 8 10
M-P 0.0 0.0 -14.3587 -14.3587 29 0 0 823 0 4 1
N-O 0.0 0.0 -0.1509 -0.1509 6 0 0 68 0 8 5
N-P 0.0 -0.2548 -31.8029 -32.0577 23 1 0 1091 0 8 11
O-P -27.7503 -6.5322 -358.826 -393.1085 113 13 15 14647 0 21 20
O-Q 0.0 0.0 -15.7987 -15.7987 29 0 0 878 0 1 1
O-R -19.6579 3.3547 -35.5349 -51.838 25 4 0 1585 0 8 10
P-Q 0.0 0.0 -0.4962 -0.4962 10 0 0 62 0 0 0
P-R 0.0 0.0 -0.0006 -0.0006 3 0 0 2 0 8 4
Q-R -32.9953 -5.9916 -378.98 -417.9668 115 11 16 14770 0 21 20
Q-S 0.0 0.0 -0.0007 -0.0007 3 0 0 2 0 8 5
Q-T 0.0 1.7544 -23.5334 -21.779 15 3 0 737 0 4 8
R-S -13.1173 11.9986 -47.2449 -48.3636 27 12 0 2162 0 10 11
R-T 0.0 -2.0957 -15.5568 -17.6526 31 0 0 1020 0 5 1
S-T -58.3513 -2.5281 -370.457 -431.3364 111 14 16 14636 0 21 19