| ## |
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 |
87 |
29 |
14262 |
◊ |
G |
-x-1/2,y-1/2,-z+1 |
4_446 |
80 |
24 |
14210 |
869.4 |
-3.9 |
0.409 |
5 |
0 |
0 |
0.000 |
2 |
|
H |
81 |
24 |
14206 |
◊ |
C |
x,y,z |
1_555 |
88 |
29 |
14282 |
867.5 |
-4.0 |
0.412 |
5 |
0 |
0 |
0.000 |
3 |
|
I |
80 |
24 |
14209 |
◊ |
A |
x,y,z |
1_555 |
84 |
29 |
14287 |
864.2 |
-3.9 |
0.411 |
5 |
0 |
0 |
0.000 |
| Average: |
867.0 |
-3.9 |
0.411 |
5 |
0 |
0 |
0.000 |
| 2 |
4 |
|
D |
70 |
22 |
14219 |
◊ |
A |
x,y,z |
1_555 |
74 |
23 |
14287 |
671.5 |
-4.2 |
0.350 |
5 |
3 |
0 |
0.000 |
5 |
|
C |
72 |
23 |
14282 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
70 |
22 |
14215 |
667.4 |
-3.4 |
0.416 |
4 |
2 |
0 |
0.000 |
6 |
|
F |
68 |
22 |
14215 |
◊ |
B |
x,y,z |
1_555 |
73 |
23 |
14262 |
666.6 |
-4.3 |
0.345 |
4 |
2 |
0 |
0.000 |
| Average: |
668.5 |
-4.0 |
0.370 |
4 |
2 |
0 |
0.000 |
| 3 |
7 |
|
B |
68 |
22 |
14262 |
◊ |
D |
-x-1/2,y-1/2,-z+1 |
4_446 |
71 |
24 |
14219 |
667.7 |
-4.2 |
0.262 |
3 |
0 |
0 |
0.000 |
8 |
|
E |
75 |
24 |
14215 |
◊ |
A |
x,y,z |
1_555 |
67 |
22 |
14287 |
666.6 |
-4.3 |
0.271 |
3 |
0 |
0 |
0.000 |
9 |
|
F |
74 |
24 |
14215 |
◊ |
C |
x,y,z |
1_555 |
69 |
23 |
14282 |
664.5 |
-4.2 |
0.274 |
3 |
0 |
0 |
0.000 |
| Average: |
666.3 |
-4.2 |
0.269 |
3 |
0 |
0 |
0.000 |
| 4 |
10 |
|
E |
61 |
17 |
14215 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
79 |
25 |
14282 |
616.9 |
1.6 |
0.761 |
6 |
5 |
0 |
0.000 |
11 |
|
D |
61 |
16 |
14219 |
◊ |
B |
x,y,z |
1_555 |
75 |
24 |
14262 |
612.9 |
1.8 |
0.764 |
6 |
5 |
0 |
0.000 |
12 |
|
F |
62 |
17 |
14215 |
◊ |
A |
x,y,z |
1_555 |
75 |
25 |
14287 |
611.8 |
1.7 |
0.765 |
6 |
5 |
0 |
0.000 |
| Average: |
613.9 |
1.7 |
0.763 |
6 |
5 |
0 |
0.000 |
| 5 |
13 |
|
I |
27 |
7 |
14209 |
◊ |
F |
x,y,z |
1_555 |
31 |
12 |
14215 |
266.4 |
-2.1 |
0.340 |
1 |
0 |
0 |
0.000 |
14 |
|
E |
31 |
12 |
14215 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
27 |
7 |
14206 |
265.7 |
-2.1 |
0.342 |
1 |
0 |
0 |
0.000 |
15 |
|
D |
30 |
12 |
14219 |
◊ |
G |
-x-1/2,y-1/2,-z+1 |
4_446 |
27 |
7 |
14210 |
264.4 |
-2.1 |
0.339 |
1 |
0 |
0 |
0.000 |
| Average: |
265.5 |
-2.1 |
0.340 |
1 |
0 |
0 |
0.000 |
| 6 |
16 |
|
F |
25 |
11 |
14215 |
◊ |
G |
x,y-1,z |
1_545 |
30 |
12 |
14210 |
257.7 |
1.0 |
0.699 |
3 |
0 |
0 |
0.000 |
17 |
|
D |
26 |
11 |
14219 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
31 |
12 |
14206 |
257.2 |
1.0 |
0.690 |
3 |
0 |
0 |
0.000 |
18 |
|
I |
31 |
12 |
14209 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
26 |
11 |
14215 |
256.5 |
1.0 |
0.688 |
3 |
0 |
0 |
0.000 |
| Average: |
257.2 |
1.0 |
0.693 |
3 |
0 |
0 |
0.000 |
| 7 |
19 |
|
G |
27 |
8 |
14210 |
◊ |
D |
x,y,z |
1_555 |
23 |
8 |
14219 |
232.4 |
0.3 |
0.641 |
1 |
0 |
0 |
0.000 |
20 |
|
H |
27 |
8 |
14206 |
◊ |
F |
x,y,z |
1_555 |
23 |
8 |
14215 |
231.3 |
0.2 |
0.638 |
1 |
0 |
0 |
0.000 |
21 |
|
I |
27 |
8 |
14209 |
◊ |
E |
x,y,z |
1_555 |
23 |
8 |
14215 |
230.5 |
0.3 |
0.645 |
1 |
0 |
0 |
0.000 |
| Average: |
231.4 |
0.3 |
0.641 |
1 |
0 |
0 |
0.000 |
| 8 |
22 |
|
I |
20 |
7 |
14209 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
27 |
9 |
14282 |
196.3 |
0.8 |
0.710 |
2 |
1 |
0 |
0.000 |
23 |
|
B |
26 |
9 |
14262 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
21 |
7 |
14206 |
195.7 |
0.7 |
0.704 |
2 |
1 |
0 |
0.000 |
24 |
|
A |
26 |
9 |
14287 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
20 |
6 |
14210 |
195.0 |
0.8 |
0.708 |
2 |
1 |
0 |
0.000 |
| Average: |
195.7 |
0.8 |
0.707 |
2 |
1 |
0 |
0.000 |
| 9 |
25 |
|
F |
24 |
11 |
14215 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
18 |
7 |
14206 |
185.0 |
2.0 |
0.717 |
2 |
4 |
0 |
0.000 |
26 |
|
D |
22 |
11 |
14219 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
19 |
7 |
14210 |
184.8 |
2.1 |
0.729 |
2 |
4 |
0 |
0.000 |
27 |
|
I |
18 |
7 |
14209 |
◊ |
E |
x,y-1,z |
1_545 |
23 |
11 |
14215 |
183.3 |
2.0 |
0.716 |
2 |
4 |
0 |
0.000 |
| Average: |
184.4 |
2.0 |
0.721 |
2 |
4 |
0 |
0.000 |
| 10 |
28 |
|
E |
16 |
5 |
14215 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
14282 |
118.8 |
-0.2 |
0.586 |
1 |
0 |
0 |
0.000 |
29 |
|
A |
15 |
5 |
14287 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
15 |
4 |
14215 |
118.7 |
-0.2 |
0.575 |
1 |
0 |
0 |
0.000 |
30 |
|
B |
16 |
5 |
14262 |
◊ |
D |
x,y-1,z |
1_545 |
15 |
4 |
14219 |
117.5 |
-0.2 |
0.580 |
1 |
0 |
0 |
0.000 |
| Average: |
118.3 |
-0.2 |
0.580 |
1 |
0 |
0 |
0.000 |
| 11 |
31 |
|
E |
8 |
3 |
14215 |
◊ |
E |
-x-1,y,-z |
2_455 |
8 |
3 |
14215 |
95.1 |
0.2 |
0.652 |
0 |
0 |
0 |
0.000 |
32 |
|
F |
8 |
3 |
14215 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
14219 |
94.3 |
0.2 |
0.662 |
0 |
0 |
0 |
0.000 |
| Average: |
94.7 |
0.2 |
0.657 |
0 |
0 |
0 |
0.000 |
| 12 |
33 |
|
[CO3]C:600 |
4 |
1 |
161 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
14282 |
67.0 |
0.7 |
0.736 |
6 |
0 |
0 |
0.015 |
34 |
|
[CO3]A:600 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14287 |
66.9 |
0.7 |
0.737 |
6 |
0 |
0 |
0.015 |
35 |
|
[CO3]B:600 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14262 |
66.5 |
0.7 |
0.726 |
6 |
0 |
0 |
0.015 |
36 |
|
[CO3]E:600 |
4 |
1 |
162 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
14215 |
66.4 |
0.7 |
0.731 |
5 |
0 |
0 |
0.015 |
37 |
|
[CO3]D:600 |
4 |
1 |
162 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
14219 |
66.2 |
0.7 |
0.728 |
6 |
0 |
0 |
0.015 |
38 |
|
[CO3]I:600 |
4 |
1 |
160 |
f |
I |
x,y,z |
1_555 |
9 |
6 |
14209 |
65.8 |
0.7 |
0.719 |
7 |
0 |
0 |
0.015 |
39 |
|
[CO3]F:600 |
4 |
1 |
161 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
14215 |
65.4 |
0.7 |
0.726 |
6 |
0 |
0 |
0.015 |
| Average: |
66.3 |
0.7 |
0.729 |
6 |
0 |
0 |
0.015 |
| 13 |
40 |
|
[CO3]G:600 |
4 |
1 |
162 |
f |
G |
x,y,z |
1_555 |
8 |
6 |
14210 |
66.4 |
0.7 |
0.717 |
6 |
0 |
0 |
0.013 |
41 |
|
[CO3]H:600 |
4 |
1 |
161 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
14206 |
65.6 |
0.7 |
0.724 |
5 |
0 |
0 |
0.013 |
| Average: |
66.0 |
0.7 |
0.720 |
6 |
0 |
0 |
0.013 |
| 14 |
42 |
|
B |
8 |
3 |
14262 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14287 |
60.6 |
1.4 |
0.851 |
2 |
0 |
0 |
0.000 |
43 |
|
C |
8 |
3 |
14282 |
◊ |
C |
-x,y,-z |
2_555 |
8 |
3 |
14282 |
60.4 |
1.5 |
0.855 |
2 |
0 |
0 |
0.000 |
| Average: |
60.5 |
1.4 |
0.853 |
2 |
0 |
0 |
0.000 |
| 15 |
44 |
|
[FE]A:500 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
14287 |
52.2 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.067 |
45 |
|
[FE]I:500 |
1 |
1 |
137 |
cf |
I |
x,y,z |
1_555 |
9 |
6 |
14209 |
52.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.067 |
46 |
|
[FE]C:500 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
9 |
4 |
14282 |
52.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.067 |
47 |
|
[FE]G:500 |
1 |
1 |
137 |
cf |
G |
x,y,z |
1_555 |
8 |
6 |
14210 |
51.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.067 |
48 |
|
[FE]B:500 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
8 |
5 |
14262 |
51.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.067 |
49 |
|
[FE]H:500 |
1 |
1 |
137 |
cf |
H |
x,y,z |
1_555 |
9 |
6 |
14206 |
51.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.067 |
50 |
|
[FE]D:500 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
14219 |
51.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.067 |
51 |
|
[FE]E:500 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
14215 |
51.7 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.067 |
52 |
|
[FE]F:500 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
14215 |
51.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
51.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.067 |
| 16 |
53 |
|
[CO3]C:600 |
3 |
1 |
161 |
f |
[FE]C:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
54 |
|
[CO3]B:600 |
3 |
1 |
161 |
f |
[FE]B:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
55 |
|
[CO3]I:600 |
3 |
1 |
160 |
f |
[FE]I:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
56 |
|
[CO3]F:600 |
3 |
1 |
161 |
f |
[FE]F:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
57 |
|
[CO3]H:600 |
3 |
1 |
161 |
f |
[FE]H:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
58 |
|
[CO3]A:600 |
3 |
1 |
161 |
f |
[FE]A:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
59 |
|
[CO3]E:600 |
3 |
1 |
162 |
f |
[FE]E:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.023 |
60 |
|
[CO3]G:600 |
3 |
1 |
162 |
f |
[FE]G:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.023 |
61 |
|
[CO3]D:600 |
3 |
1 |
162 |
f |
[FE]D:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
35.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| 17 |
62 |
|
B |
2 |
1 |
14262 |
x |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
14262 |
12.1 |
-0.0 |
0.534 |
0 |
0 |
0 |
0.000 |
63 |
|
A |
2 |
1 |
14287 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
14282 |
12.1 |
0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
64 |
|
C |
2 |
1 |
14282 |
x |
A |
x,y,z |
1_555 |
2 |
1 |
14287 |
11.9 |
-0.0 |
0.534 |
0 |
0 |
0 |
0.000 |
| Average: |
12.0 |
-0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
| 18 |
65 |
|
G |
1 |
1 |
14210 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14262 |
2.5 |
-0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
66 |
|
I |
1 |
1 |
14209 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
14282 |
2.3 |
-0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
67 |
|
H |
1 |
1 |
14206 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14287 |
2.2 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
| Average: |
2.3 |
-0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
|