1N8J
crystal structure of ahpc with active site cysteine mutated to serine (c46s)
Total interactions analyzed 190
Total true interactions 48
Strongest Interaction Chains G-H
Int. Res. 191
Norm. En. per Res. -4.2062
Hub Node A(5)
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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 -173.0729 -16.9828 -560.378 -750.4337 189 28 34 23306 2 67 57
A-C 0.0 0.0 -47.0093 -47.0093 24 6 3 2027 0 3 3
A-D 0.0 13.6256 -123.219 -109.5934 70 0 7 5787 0 28 18
A-E 0.0 -4.3103 -48.5793 -52.8896 25 6 3 2065 0 3 3
A-R 0.0 -23.2765 -15.2273 -38.5038 18 1 0 668 3 12 10
B-D 0.0 -4.7168 -52.1813 -56.8982 26 9 3 2126 0 4 3
B-E 0.0 12.6683 -126.091 -113.4227 69 0 7 5792 0 28 18
B-F 0.0 -3.7552 -32.3532 -36.1084 25 11 3 2050 0 3 3
C-D -157.4812 -38.4622 -566.918 -762.8614 194 38 34 23725 3 67 54
C-I -4.3328 -3.6321 -48.3742 -56.3391 25 5 3 2008 0 3 3
C-J 0.0 13.4596 -122.914 -109.4544 71 0 7 5752 0 28 18
C-S 0.0 -4.6729 -19.2613 -23.9342 35 4 0 1481 2 24 26
D-J 0.0 -3.6448 -54.6844 -58.3293 26 5 3 2083 0 3 3
E-F -153.8656 -35.1168 -571.053 -760.0354 191 29 36 23378 2 67 56
E-H 0.0 -3.6444 -46.9622 -50.6065 25 6 3 2059 0 3 3
E-O 0.0 0.0 -18.5551 -18.5551 25 1 1 979 0 8 5
E-R 0.0 3.9229 -1.6049 2.318 9 0 0 223 0 12 11
F-G 0.0 -3.6261 -56.095 -59.7211 25 4 3 2121 0 4 3
F-H 0.0 12.1639 -128.593 -116.4291 71 0 7 5953 0 28 19
G-H -195.4111 -45.1539 -562.823 -803.388 191 26 34 23308 2 68 56
G-I 0.0 15.3112 -122.667 -107.3558 71 0 7 5813 0 28 18
G-J 0.0 -4.1586 -55.6258 -59.7844 26 5 3 2174 0 5 3
H-I 0.0 -3.6408 -56.0107 -59.6515 26 3 3 2189 0 4 3
H-K -8.8835 -32.086 -16.6196 -57.5892 22 2 0 697 3 11 9
H-O 0.0 16.1233 -1.6988 14.4245 12 0 0 267 0 12 15
I-J -160.0952 -43.8207 -560.426 -764.3419 192 21 33 23255 5 65 54
I-M 0.0 -0.6119 -29.1294 -29.7413 40 4 0 1588 2 25 27
I-S 0.0 0.0 -3.6048 -3.6048 8 0 0 243 0 2 2
K-L -156.3888 -47.8762 -574.089 -778.354 195 28 34 23622 2 67 58
K-M 0.0 -3.8308 -50.0985 -53.9293 26 7 3 2067 0 3 3
K-N 0.0 14.2211 -121.697 -107.4759 72 0 7 5796 0 28 18
K-O 0.0 -3.3449 -54.2474 -57.5923 25 7 3 2175 0 3 3
L-N 0.0 -3.8552 -56.3196 -60.1748 26 5 3 2117 0 4 3
L-O 0.0 13.0493 -126.83 -113.7807 70 0 7 5794 0 28 18
L-P 0.0 -3.8935 -50.1627 -54.0562 25 8 3 2128 0 3 3
M-N -161.3313 -16.7019 -580.251 -758.2842 194 38 35 24046 2 67 56
M-S -3.408 -3.4189 -44.6649 -51.4918 24 10 3 1996 0 3 3
M-T 0.0 13.0256 -125.082 -112.0564 72 0 7 5900 0 28 18
N-T 0.0 -4.1517 -55.5119 -59.6636 25 5 3 2109 0 4 3
O-P -170.1032 -38.4506 -565.702 -774.2558 193 27 35 23548 3 65 56
O-R 0.0 -3.4503 -54.3429 -57.7932 26 5 3 2181 0 4 3
P-Q 0.0 -3.5522 -51.7096 -55.2618 26 3 3 2191 0 4 3
P-R 0.0 13.0331 -129.273 -116.2399 71 0 7 5864 0 28 18
Q-R -181.3469 -47.389 -572.885 -801.6208 191 28 34 23611 2 66 54
Q-S 0.0 13.6909 -128.355 -114.6641 69 1 7 5871 0 28 18
Q-T 0.0 -3.4409 -54.4409 -57.8818 26 10 3 2171 0 3 3
R-S -7.4766 -4.0933 -51.3888 -62.9587 25 6 3 2192 0 4 3
S-T -202.008 -25.034 -563.57 -790.612 192 48 35 23953 3 65 57