## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
292 |
71 |
20383 |
◊ |
A |
x,y,z |
1_555 |
288 |
75 |
19907 |
2716.9 |
-37.4 |
0.018 |
33 |
7 |
0 |
0.548 |
2 |
2 |
|
A |
97 |
28 |
19907 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
93 |
27 |
20383 |
717.6 |
-0.8 |
0.780 |
6 |
5 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
41 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
79 |
25 |
20383 |
532.4 |
-18.6 |
0.328 |
1 |
0 |
0 |
0.394 |
4 |
|
[HEM]A:500 |
41 |
1 |
816 |
f |
A |
x,y,z |
1_555 |
80 |
26 |
19907 |
530.9 |
-18.6 |
0.329 |
1 |
0 |
0 |
0.394 |
Average: |
531.7 |
-18.6 |
0.329 |
1 |
0 |
0 |
0.394 |
4 |
5 |
|
A |
46 |
15 |
19907 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
49 |
16 |
19907 |
394.8 |
-3.2 |
0.462 |
3 |
2 |
0 |
0.000 |
5 |
6 |
|
[JSS]B:800 |
24 |
1 |
654 |
f |
B |
x,y,z |
1_555 |
47 |
19 |
20383 |
303.7 |
5.5 |
0.405 |
3 |
0 |
0 |
0.000 |
7 |
|
[JSS]A:800 |
24 |
1 |
650 |
f |
A |
x,y,z |
1_555 |
44 |
19 |
19907 |
300.4 |
4.7 |
0.318 |
3 |
0 |
0 |
0.000 |
Average: |
302.1 |
5.1 |
0.362 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
32 |
11 |
20383 |
x |
B |
x-1,y,z |
1_455 |
29 |
10 |
20383 |
260.2 |
-2.2 |
0.394 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:600 |
17 |
1 |
389 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
20383 |
177.2 |
2.4 |
0.449 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
19907 |
176.2 |
2.2 |
0.482 |
2 |
0 |
0 |
0.000 |
Average: |
176.7 |
2.3 |
0.466 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[JSS]A:800 |
18 |
1 |
650 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
34 |
1 |
816 |
160.8 |
-0.1 |
0.422 |
0 |
0 |
0 |
0.011 |
12 |
|
[JSS]B:800 |
17 |
1 |
654 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
34 |
1 |
819 |
160.6 |
-1.0 |
0.433 |
0 |
0 |
0 |
0.011 |
Average: |
160.7 |
-0.6 |
0.428 |
0 |
0 |
0 |
0.011 |
9 |
13 |
|
[H4B]B:600 |
13 |
1 |
389 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19907 |
107.6 |
-0.2 |
0.258 |
1 |
0 |
0 |
0.014 |
14 |
|
[H4B]A:600 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20383 |
107.1 |
-0.3 |
0.243 |
1 |
0 |
0 |
0.014 |
Average: |
107.3 |
-0.2 |
0.250 |
1 |
0 |
0 |
0.014 |
10 |
15 |
|
[CAD]B:950 |
3 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
20383 |
100.9 |
-0.7 |
0.237 |
0 |
0 |
0 |
0.007 |
11 |
16 |
|
[ACT]B:850 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
20383 |
94.6 |
-0.1 |
0.678 |
5 |
0 |
0 |
0.024 |
12 |
17 |
|
[ACT]A:850 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
19907 |
90.1 |
-0.3 |
0.667 |
1 |
0 |
0 |
0.008 |
13 |
18 |
|
[CAD]A:950 |
3 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
19907 |
89.9 |
-1.4 |
0.171 |
0 |
0 |
0 |
0.014 |
14 |
19 |
|
[GOL]B:880 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20383 |
83.0 |
0.6 |
0.686 |
3 |
0 |
0 |
0.007 |
15 |
20 |
|
A |
13 |
6 |
19907 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
208 |
79.9 |
2.3 |
0.425 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[GOL]A:880 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
19907 |
78.6 |
-0.1 |
0.546 |
1 |
0 |
0 |
0.006 |
17 |
22 |
|
[CAD]B:950 |
3 |
1 |
208 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
20383 |
72.1 |
1.2 |
0.351 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
A |
9 |
4 |
19907 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
20383 |
61.3 |
-0.6 |
0.455 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[GOL]A:880 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
20383 |
55.4 |
-0.1 |
0.603 |
1 |
0 |
0 |
0.006 |
20 |
25 |
|
[GOL]B:880 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
19907 |
53.6 |
0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
B |
6 |
3 |
20383 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
19907 |
47.3 |
1.3 |
0.900 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[H4B]A:600 |
5 |
1 |
397 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
816 |
44.0 |
-1.2 |
0.437 |
2 |
0 |
0 |
0.039 |
28 |
|
[H4B]B:600 |
5 |
1 |
389 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
819 |
42.9 |
-1.2 |
0.426 |
1 |
0 |
0 |
0.039 |
Average: |
43.4 |
-1.2 |
0.431 |
2 |
0 |
0 |
0.039 |
23 |
29 |
|
[GOL]A:880 |
4 |
1 |
216 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
6 |
1 |
397 |
41.1 |
-0.3 |
0.275 |
2 |
0 |
0 |
0.012 |
24 |
30 |
|
[JSS]B:800 |
4 |
1 |
654 |
f |
[ACT]B:850 |
x,y,z |
1_555 |
4 |
1 |
183 |
40.7 |
0.8 |
0.557 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[GOL]B:880 |
4 |
1 |
221 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
389 |
39.3 |
0.2 |
0.271 |
4 |
0 |
0 |
0.017 |
26 |
32 |
|
[JSS]A:800 |
4 |
1 |
650 |
f |
[ACT]A:850 |
x,y,z |
1_555 |
4 |
1 |
181 |
38.0 |
1.2 |
0.561 |
1 |
0 |
0 |
0.000 |
27 |
33 |
|
[JSS]B:800 |
7 |
1 |
654 |
f |
[GOL]B:880 |
x,y,z |
1_555 |
4 |
1 |
221 |
35.6 |
-0.6 |
0.146 |
0 |
0 |
0 |
0.006 |
28 |
34 |
|
[JSS]A:800 |
6 |
1 |
650 |
f |
[GOL]A:880 |
x,y,z |
1_555 |
3 |
1 |
216 |
35.1 |
0.3 |
0.262 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[JSS]B:800 |
6 |
1 |
654 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
19907 |
34.5 |
-0.9 |
0.104 |
0 |
0 |
0 |
0.017 |
36 |
|
[JSS]A:800 |
6 |
1 |
650 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20383 |
31.9 |
-0.8 |
0.094 |
0 |
0 |
0 |
0.017 |
Average: |
33.2 |
-0.8 |
0.099 |
0 |
0 |
0 |
0.017 |
30 |
37 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20383 |
34.3 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.295 |
38 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19907 |
34.2 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.295 |
Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.295 |
31 |
39 |
|
B |
3 |
1 |
20383 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
19907 |
14.1 |
-0.4 |
0.364 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[JSS]A:800 |
2 |
1 |
650 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
3 |
1 |
397 |
10.5 |
0.2 |
0.274 |
0 |
0 |
0 |
0.000 |
41 |
|
[JSS]B:800 |
1 |
1 |
654 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
1 |
1 |
389 |
8.6 |
0.1 |
0.272 |
0 |
0 |
0 |
0.000 |
Average: |
9.6 |
0.2 |
0.273 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
A |
2 |
1 |
19907 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
19907 |
4.9 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
[GOL]A:880 |
1 |
1 |
216 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
816 |
3.1 |
-0.1 |
0.506 |
0 |
0 |
0 |
0.001 |
|