## |
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 |
73 |
19420 |
◊ |
A |
x,y,z |
1_555 |
297 |
78 |
19320 |
2798.9 |
-37.5 |
0.017 |
33 |
12 |
0 |
0.452 |
2 |
2 |
|
A |
92 |
29 |
19320 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
94 |
28 |
19420 |
778.3 |
-3.2 |
0.633 |
4 |
7 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
43 |
1 |
804 |
f |
B |
x,y,z |
1_555 |
76 |
24 |
19420 |
512.3 |
-17.6 |
0.324 |
1 |
0 |
0 |
0.302 |
4 |
|
[HEM]A:500 |
43 |
1 |
803 |
f |
A |
x,y,z |
1_555 |
75 |
24 |
19320 |
507.5 |
-17.5 |
0.306 |
1 |
0 |
0 |
0.302 |
Average: |
509.9 |
-17.6 |
0.315 |
1 |
0 |
0 |
0.302 |
4 |
5 |
|
A |
48 |
15 |
19320 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
45 |
14 |
19320 |
392.3 |
-4.1 |
0.359 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
[6J0]B:800 |
24 |
1 |
571 |
f |
B |
x,y,z |
1_555 |
49 |
19 |
19420 |
294.1 |
-1.6 |
0.273 |
0 |
0 |
0 |
0.027 |
7 |
|
[6J0]A:800 |
24 |
1 |
573 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
19320 |
291.3 |
-1.6 |
0.263 |
0 |
0 |
0 |
0.027 |
Average: |
292.7 |
-1.6 |
0.268 |
0 |
0 |
0 |
0.027 |
6 |
8 |
|
B |
33 |
13 |
19420 |
x |
B |
x-1,y,z |
1_455 |
26 |
9 |
19420 |
242.1 |
-2.5 |
0.415 |
0 |
2 |
0 |
0.000 |
7 |
9 |
|
[MTL]B:870 |
12 |
1 |
326 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
19420 |
181.5 |
2.2 |
0.487 |
10 |
0 |
0 |
0.039 |
10 |
|
[MTL]A:870 |
12 |
1 |
323 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
19320 |
180.9 |
2.0 |
0.486 |
10 |
0 |
0 |
0.039 |
Average: |
181.2 |
2.1 |
0.487 |
10 |
0 |
0 |
0.039 |
8 |
11 |
|
[H4B]B:600 |
17 |
1 |
392 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
19420 |
177.8 |
2.4 |
0.529 |
2 |
0 |
0 |
0.000 |
12 |
|
[H4B]A:600 |
17 |
1 |
394 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
19320 |
175.6 |
2.5 |
0.551 |
2 |
0 |
0 |
0.000 |
Average: |
176.7 |
2.4 |
0.540 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[6J0]A:800 |
12 |
1 |
573 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
29 |
1 |
803 |
123.8 |
-4.0 |
0.487 |
2 |
0 |
0 |
0.092 |
14 |
|
[6J0]B:800 |
12 |
1 |
571 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
28 |
1 |
804 |
120.9 |
-4.2 |
0.412 |
4 |
0 |
0 |
0.092 |
Average: |
122.3 |
-4.1 |
0.450 |
3 |
0 |
0 |
0.092 |
10 |
15 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
19420 |
113.1 |
-1.5 |
0.495 |
2 |
0 |
0 |
0.020 |
11 |
16 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19320 |
110.4 |
-1.3 |
0.524 |
2 |
0 |
0 |
0.018 |
12 |
17 |
|
[H4B]B:600 |
13 |
1 |
392 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
19320 |
108.5 |
-0.2 |
0.269 |
1 |
0 |
0 |
0.011 |
18 |
|
[H4B]A:600 |
13 |
1 |
394 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
19420 |
106.6 |
-0.2 |
0.277 |
1 |
0 |
0 |
0.011 |
Average: |
107.6 |
-0.2 |
0.273 |
1 |
0 |
0 |
0.011 |
13 |
19 |
|
[BME]A:960 |
4 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
19320 |
93.9 |
-0.2 |
0.333 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
A |
11 |
5 |
19320 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
19420 |
87.8 |
-0.5 |
0.554 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[GOL]A:880 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19320 |
84.9 |
0.2 |
0.626 |
3 |
0 |
0 |
0.017 |
22 |
|
[GOL]B:880 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19420 |
84.5 |
0.4 |
0.639 |
3 |
0 |
0 |
0.017 |
Average: |
84.7 |
0.3 |
0.632 |
3 |
0 |
0 |
0.017 |
16 |
23 |
|
A |
14 |
7 |
19320 |
f |
[BME]A:960 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
206 |
72.5 |
-1.0 |
0.409 |
0 |
0 |
0 |
0.009 |
17 |
24 |
|
[GOL]B:880 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
19320 |
56.4 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
25 |
|
[GOL]A:880 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
19420 |
54.5 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
Average: |
55.4 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[MTL]B:870 |
4 |
1 |
326 |
f |
[6J0]B:800 |
x,y,z |
1_555 |
9 |
1 |
571 |
48.2 |
2.3 |
0.493 |
0 |
0 |
0 |
0.000 |
27 |
|
[MTL]A:870 |
4 |
1 |
323 |
f |
[6J0]A:800 |
x,y,z |
1_555 |
9 |
1 |
573 |
43.7 |
2.0 |
0.485 |
0 |
0 |
0 |
0.000 |
Average: |
46.0 |
2.1 |
0.489 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[GOL]A:880 |
5 |
1 |
218 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
7 |
1 |
394 |
41.7 |
0.2 |
0.302 |
3 |
0 |
0 |
0.024 |
29 |
|
[GOL]B:880 |
5 |
1 |
220 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
392 |
39.5 |
0.1 |
0.290 |
4 |
0 |
0 |
0.024 |
Average: |
40.6 |
0.1 |
0.296 |
4 |
0 |
0 |
0.024 |
20 |
30 |
|
[H4B]A:600 |
5 |
1 |
394 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
803 |
41.3 |
-1.3 |
0.428 |
1 |
0 |
0 |
0.028 |
31 |
|
[H4B]B:600 |
5 |
1 |
392 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
804 |
40.3 |
-1.1 |
0.435 |
1 |
0 |
0 |
0.028 |
Average: |
40.8 |
-1.2 |
0.431 |
1 |
0 |
0 |
0.028 |
21 |
32 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19320 |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.253 |
33 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19420 |
34.2 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.253 |
Average: |
34.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.253 |
22 |
34 |
|
[6J0]B:800 |
3 |
1 |
571 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
19320 |
32.7 |
0.3 |
0.418 |
0 |
0 |
0 |
0.000 |
35 |
|
[6J0]A:800 |
3 |
1 |
573 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
19420 |
31.4 |
0.2 |
0.388 |
0 |
0 |
0 |
0.000 |
Average: |
32.1 |
0.3 |
0.403 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
803 |
32.7 |
-0.9 |
0.811 |
0 |
0 |
0 |
0.007 |
24 |
37 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
804 |
31.7 |
-0.9 |
0.815 |
0 |
0 |
0 |
0.007 |
25 |
38 |
|
B |
3 |
1 |
19420 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
19320 |
27.9 |
-0.3 |
0.391 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[GOL]B:880 |
3 |
1 |
220 |
f |
[6J0]B:800 |
x,y,z |
1_555 |
4 |
1 |
571 |
27.5 |
-0.5 |
0.381 |
0 |
0 |
0 |
0.011 |
40 |
|
[GOL]A:880 |
3 |
1 |
218 |
f |
[6J0]A:800 |
x,y,z |
1_555 |
2 |
1 |
573 |
26.1 |
-0.8 |
0.334 |
0 |
0 |
0 |
0.011 |
Average: |
26.8 |
-0.6 |
0.357 |
0 |
0 |
0 |
0.011 |
27 |
41 |
|
B |
4 |
1 |
19420 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19320 |
26.0 |
-0.0 |
0.231 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
A |
1 |
1 |
19320 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
19320 |
9.9 |
0.3 |
0.856 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
[6J0]A:800 |
2 |
1 |
573 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
1 |
1 |
394 |
7.4 |
-0.3 |
0.220 |
0 |
0 |
0 |
0.003 |
44 |
|
[6J0]B:800 |
3 |
1 |
571 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
1 |
1 |
392 |
5.8 |
-0.1 |
0.220 |
0 |
0 |
0 |
0.003 |
Average: |
6.6 |
-0.2 |
0.220 |
0 |
0 |
0 |
0.003 |
|