## |
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 |
287 |
72 |
19910 |
◊ |
A |
x,y,z |
1_555 |
285 |
74 |
19879 |
2732.9 |
-34.9 |
0.017 |
36 |
13 |
0 |
0.454 |
2 |
2 |
|
A |
90 |
27 |
19879 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
87 |
27 |
19910 |
706.1 |
-1.2 |
0.700 |
5 |
5 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
43 |
1 |
816 |
f |
B |
x,y,z |
1_555 |
78 |
24 |
19910 |
544.1 |
-19.1 |
0.263 |
1 |
0 |
0 |
0.334 |
4 |
|
[HEM]A:500 |
43 |
1 |
813 |
f |
A |
x,y,z |
1_555 |
78 |
25 |
19879 |
543.5 |
-18.9 |
0.268 |
1 |
0 |
0 |
0.334 |
Average: |
543.8 |
-19.0 |
0.265 |
1 |
0 |
0 |
0.334 |
4 |
5 |
|
A |
55 |
19 |
19879 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
48 |
16 |
19879 |
425.0 |
-2.9 |
0.461 |
2 |
2 |
0 |
0.000 |
5 |
6 |
|
B |
25 |
10 |
19910 |
x |
B |
x-1,y,z |
1_455 |
21 |
6 |
19910 |
207.8 |
-2.1 |
0.311 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[H4B]A:600 |
17 |
1 |
401 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19879 |
187.8 |
2.5 |
0.534 |
2 |
0 |
0 |
0.000 |
8 |
|
[H4B]B:601 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
19910 |
187.4 |
2.5 |
0.522 |
2 |
0 |
0 |
0.000 |
Average: |
187.6 |
2.5 |
0.528 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
[GOL]A:890 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
19879 |
124.6 |
0.2 |
0.629 |
4 |
0 |
0 |
0.014 |
8 |
10 |
|
[GOL]B:891 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
19910 |
122.8 |
0.8 |
0.685 |
7 |
0 |
0 |
0.020 |
9 |
11 |
|
[ATQ]B:801 |
6 |
1 |
236 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
19910 |
119.0 |
0.6 |
0.476 |
2 |
0 |
0 |
0.006 |
12 |
|
[ATQ]A:805 |
6 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
19879 |
116.9 |
0.6 |
0.488 |
2 |
0 |
0 |
0.006 |
Average: |
118.0 |
0.6 |
0.482 |
2 |
0 |
0 |
0.006 |
10 |
13 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19879 |
113.9 |
-1.4 |
0.493 |
2 |
0 |
0 |
0.020 |
11 |
14 |
|
[H4B]A:600 |
13 |
1 |
401 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
19910 |
112.1 |
-0.2 |
0.272 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]B:601 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
19879 |
111.7 |
-0.1 |
0.266 |
1 |
0 |
0 |
0.010 |
Average: |
111.9 |
-0.1 |
0.269 |
1 |
0 |
0 |
0.010 |
12 |
16 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
19910 |
111.5 |
-1.2 |
0.504 |
2 |
0 |
0 |
0.018 |
13 |
17 |
|
[GOL]B:881 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
19910 |
92.1 |
0.6 |
0.708 |
3 |
0 |
0 |
0.006 |
14 |
18 |
|
[GOL]A:880 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
19879 |
91.5 |
0.1 |
0.641 |
3 |
0 |
0 |
0.010 |
15 |
19 |
|
[CAD]A:950 |
3 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
19879 |
89.8 |
-0.7 |
0.172 |
0 |
0 |
0 |
0.006 |
16 |
20 |
|
[CAD]B:951 |
3 |
1 |
200 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
19910 |
88.4 |
-0.8 |
0.130 |
0 |
0 |
0 |
0.007 |
17 |
21 |
|
[ACT]A:850 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
19879 |
87.8 |
1.4 |
0.863 |
4 |
0 |
0 |
0.006 |
22 |
|
[ACT]B:851 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
19910 |
85.1 |
1.4 |
0.865 |
4 |
0 |
0 |
0.006 |
Average: |
86.5 |
1.4 |
0.864 |
4 |
0 |
0 |
0.006 |
18 |
23 |
|
[ATQ]A:805 |
6 |
1 |
235 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
27 |
1 |
813 |
82.9 |
-1.0 |
0.562 |
0 |
0 |
0 |
0.017 |
24 |
|
[ATQ]B:801 |
6 |
1 |
236 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
28 |
1 |
816 |
82.9 |
-1.0 |
0.562 |
0 |
0 |
0 |
0.017 |
Average: |
82.9 |
-1.0 |
0.562 |
0 |
0 |
0 |
0.017 |
19 |
25 |
|
[CAD]B:951 |
3 |
1 |
200 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
3 |
19910 |
71.3 |
0.8 |
0.339 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
A |
11 |
6 |
19879 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
199 |
66.8 |
1.8 |
0.420 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[GOL]B:881 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
19879 |
64.9 |
-0.1 |
0.635 |
0 |
0 |
0 |
0.001 |
22 |
28 |
|
[GOL]A:880 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
19910 |
63.2 |
-0.2 |
0.605 |
0 |
0 |
0 |
0.002 |
23 |
29 |
|
A |
7 |
4 |
19879 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
19910 |
46.4 |
-0.5 |
0.399 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
B |
5 |
1 |
19910 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
19879 |
45.1 |
-0.5 |
0.459 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[GOL]A:880 |
6 |
1 |
220 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
6 |
1 |
401 |
44.0 |
0.1 |
0.305 |
4 |
0 |
0 |
0.014 |
26 |
32 |
|
[H4B]A:600 |
3 |
1 |
401 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
813 |
43.1 |
-1.5 |
0.435 |
1 |
0 |
0 |
0.032 |
33 |
|
[H4B]B:601 |
4 |
1 |
398 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
816 |
43.0 |
-1.4 |
0.446 |
1 |
0 |
0 |
0.032 |
Average: |
43.1 |
-1.4 |
0.440 |
1 |
0 |
0 |
0.032 |
27 |
34 |
|
[GOL]B:881 |
5 |
1 |
220 |
f |
[H4B]B:601 |
x,y,z |
1_555 |
6 |
1 |
398 |
41.8 |
0.1 |
0.290 |
4 |
0 |
0 |
0.014 |
28 |
35 |
|
[HEM]B:500 |
5 |
1 |
816 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
3 |
1 |
183 |
38.1 |
-1.2 |
0.751 |
0 |
0 |
0 |
0.010 |
29 |
36 |
|
B |
7 |
2 |
19910 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
19879 |
35.3 |
-1.0 |
0.222 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19879 |
34.6 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.259 |
38 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19910 |
34.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.259 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.259 |
31 |
39 |
|
[HEM]A:500 |
5 |
1 |
813 |
f |
[ACT]A:860 |
x,y,z |
1_555 |
2 |
1 |
183 |
33.7 |
-0.9 |
0.692 |
0 |
0 |
0 |
0.008 |
32 |
40 |
|
[HEM]A:500 |
2 |
1 |
813 |
f |
[ACT]A:850 |
x,y,z |
1_555 |
1 |
1 |
184 |
16.9 |
-1.1 |
0.469 |
0 |
0 |
0 |
0.018 |
41 |
|
[HEM]B:500 |
2 |
1 |
816 |
f |
[ACT]B:851 |
x,y,z |
1_555 |
1 |
1 |
183 |
16.6 |
-1.1 |
0.472 |
0 |
0 |
0 |
0.018 |
Average: |
16.8 |
-1.1 |
0.471 |
0 |
0 |
0 |
0.018 |
33 |
42 |
|
A |
1 |
1 |
19879 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
19879 |
9.6 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
|