## |
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 |
288 |
71 |
20235 |
◊ |
A |
x,y,z |
1_555 |
289 |
75 |
20056 |
2733.6 |
-38.9 |
0.011 |
30 |
8 |
0 |
0.420 |
2 |
2 |
|
A |
94 |
29 |
20056 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
95 |
30 |
20235 |
757.2 |
-1.1 |
0.752 |
6 |
8 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
41 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
76 |
25 |
20235 |
512.5 |
-17.2 |
0.331 |
0 |
0 |
0 |
0.270 |
4 |
|
[HEM]A:500 |
41 |
1 |
827 |
f |
A |
x,y,z |
1_555 |
73 |
23 |
20056 |
510.2 |
-17.2 |
0.271 |
0 |
0 |
0 |
0.270 |
Average: |
511.4 |
-17.2 |
0.301 |
0 |
0 |
0 |
0.270 |
4 |
5 |
|
A |
54 |
18 |
20056 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
50 |
16 |
20056 |
420.2 |
-4.0 |
0.369 |
2 |
1 |
0 |
0.000 |
5 |
6 |
|
[XFJ]B:800 |
26 |
1 |
627 |
f |
B |
x,y,z |
1_555 |
50 |
22 |
20235 |
337.4 |
-2.3 |
0.662 |
3 |
0 |
0 |
0.059 |
7 |
|
[XFJ]A:800 |
26 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
47 |
22 |
20056 |
332.1 |
-2.5 |
0.650 |
3 |
0 |
0 |
0.059 |
Average: |
334.8 |
-2.4 |
0.656 |
3 |
0 |
0 |
0.059 |
6 |
8 |
|
B |
30 |
10 |
20235 |
x |
B |
x-1,y,z |
1_455 |
26 |
8 |
20235 |
239.9 |
-1.5 |
0.474 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:600 |
17 |
1 |
394 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
20235 |
173.2 |
2.3 |
0.497 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
20056 |
172.3 |
2.4 |
0.505 |
2 |
0 |
0 |
0.000 |
Average: |
172.8 |
2.4 |
0.501 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[XFJ]A:800 |
21 |
1 |
631 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
35 |
1 |
827 |
173.1 |
-6.5 |
0.911 |
2 |
0 |
0 |
0.116 |
12 |
|
[XFJ]B:800 |
20 |
1 |
627 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
35 |
1 |
822 |
170.4 |
-6.5 |
0.879 |
2 |
0 |
0 |
0.116 |
Average: |
171.8 |
-6.5 |
0.895 |
2 |
0 |
0 |
0.116 |
9 |
13 |
|
[H4B]A:600 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
20235 |
117.2 |
-0.2 |
0.282 |
1 |
0 |
0 |
0.010 |
14 |
|
[H4B]B:600 |
13 |
1 |
394 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
20056 |
110.5 |
-0.2 |
0.269 |
1 |
0 |
0 |
0.010 |
Average: |
113.9 |
-0.2 |
0.275 |
1 |
0 |
0 |
0.010 |
10 |
15 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
20056 |
116.3 |
-1.4 |
0.494 |
2 |
0 |
0 |
0.018 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
20235 |
112.8 |
-1.4 |
0.465 |
2 |
0 |
0 |
0.018 |
12 |
17 |
|
[CAD]B:950 |
3 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20235 |
93.2 |
-0.1 |
0.133 |
0 |
0 |
0 |
0.001 |
13 |
18 |
|
[GOL]B:880 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
20235 |
87.4 |
0.3 |
0.666 |
2 |
0 |
0 |
0.004 |
14 |
19 |
|
[CAD]A:950 |
3 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20056 |
85.0 |
-1.6 |
0.165 |
0 |
0 |
0 |
0.013 |
15 |
20 |
|
[GOL]A:880 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
20056 |
80.2 |
-0.2 |
0.551 |
1 |
0 |
0 |
0.005 |
16 |
21 |
|
A |
12 |
6 |
20056 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
210 |
78.4 |
2.5 |
0.429 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[CAD]B:950 |
3 |
1 |
209 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
20235 |
71.0 |
0.6 |
0.341 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[GOL]B:880 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
20056 |
59.3 |
0.3 |
0.652 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
A |
9 |
4 |
20056 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
20235 |
55.4 |
-0.6 |
0.438 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[GOL]A:880 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
20235 |
47.4 |
0.3 |
0.645 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[H4B]B:600 |
5 |
1 |
394 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
822 |
43.4 |
-1.3 |
0.420 |
1 |
0 |
0 |
0.030 |
27 |
|
[H4B]A:600 |
5 |
1 |
395 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
827 |
42.1 |
-1.2 |
0.437 |
2 |
0 |
0 |
0.030 |
Average: |
42.8 |
-1.2 |
0.429 |
2 |
0 |
0 |
0.030 |
22 |
28 |
|
[H4B]B:600 |
7 |
1 |
394 |
f |
[GOL]B:880 |
x,y,z |
1_555 |
4 |
1 |
221 |
41.5 |
0.2 |
0.294 |
3 |
0 |
0 |
0.009 |
23 |
29 |
|
[XFJ]A:800 |
7 |
1 |
631 |
f |
[GOL]A:880 |
x,y,z |
1_555 |
2 |
1 |
220 |
38.6 |
-0.5 |
0.641 |
0 |
0 |
0 |
0.004 |
24 |
30 |
|
B |
3 |
3 |
20235 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
20056 |
36.5 |
1.2 |
0.902 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[H4B]A:600 |
4 |
1 |
395 |
f |
[GOL]A:880 |
x,y,z |
1_555 |
6 |
1 |
220 |
34.5 |
-0.0 |
0.246 |
3 |
0 |
0 |
0.011 |
26 |
32 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20056 |
34.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.242 |
33 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20235 |
33.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.242 |
Average: |
34.1 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.242 |
27 |
34 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
822 |
34.0 |
-1.0 |
0.756 |
0 |
0 |
0 |
0.008 |
28 |
35 |
|
[ACT]A:860 |
1 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
827 |
33.9 |
-1.1 |
0.491 |
0 |
0 |
0 |
0.009 |
29 |
36 |
|
[XFJ]B:800 |
1 |
1 |
627 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20056 |
29.4 |
-0.9 |
0.154 |
0 |
0 |
0 |
0.015 |
37 |
|
[XFJ]A:800 |
1 |
1 |
631 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20235 |
28.9 |
-0.9 |
0.128 |
0 |
0 |
0 |
0.015 |
Average: |
29.1 |
-0.9 |
0.141 |
0 |
0 |
0 |
0.015 |
30 |
38 |
|
B |
4 |
1 |
20235 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
20056 |
25.4 |
-0.5 |
0.301 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[XFJ]B:800 |
7 |
1 |
627 |
f |
[GOL]B:880 |
x,y,z |
1_555 |
2 |
1 |
221 |
22.1 |
-0.5 |
0.413 |
0 |
0 |
0 |
0.004 |
32 |
40 |
|
A |
3 |
1 |
20056 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
2 |
20056 |
5.7 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[H4B]B:600 |
1 |
1 |
394 |
f |
[XFJ]B:800 |
x,y,z |
1_555 |
3 |
1 |
627 |
5.6 |
-0.2 |
0.287 |
0 |
0 |
0 |
0.003 |
42 |
|
[H4B]A:600 |
1 |
1 |
395 |
f |
[XFJ]A:800 |
x,y,z |
1_555 |
2 |
1 |
631 |
3.5 |
-0.1 |
0.289 |
0 |
0 |
0 |
0.003 |
Average: |
4.6 |
-0.2 |
0.288 |
0 |
0 |
0 |
0.003 |
34 |
43 |
|
[GOL]A:880 |
1 |
1 |
220 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
827 |
4.8 |
-0.2 |
0.470 |
0 |
0 |
0 |
0.002 |
|