| ## |
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 |
|
D |
356 |
94 |
19574 |
◊ |
C |
x,y,z |
1_555 |
364 |
94 |
12538 |
3511.5 |
-37.2 |
0.036 |
45 |
10 |
0 |
0.391 |
2 |
|
B |
360 |
92 |
19703 |
◊ |
A |
x,y,z |
1_555 |
365 |
93 |
12380 |
3499.8 |
-38.1 |
0.029 |
42 |
10 |
0 |
0.391 |
| Average: |
3505.6 |
-37.6 |
0.033 |
44 |
10 |
0 |
0.391 |
| 2 |
3 |
|
B |
43 |
14 |
19703 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
44 |
13 |
19574 |
417.1 |
-3.7 |
0.283 |
1 |
0 |
0 |
0.000 |
| 3 |
4 |
|
D |
43 |
18 |
19574 |
◊ |
C |
x-1,y,z |
1_455 |
43 |
16 |
12538 |
347.9 |
2.7 |
0.893 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
33 |
8 |
19703 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
9 |
12538 |
252.0 |
-0.6 |
0.605 |
1 |
1 |
0 |
0.000 |
| 5 |
6 |
|
D |
22 |
6 |
19574 |
◊ |
A |
x,y,z-1 |
1_554 |
31 |
12 |
12380 |
237.8 |
1.3 |
0.785 |
2 |
4 |
0 |
0.000 |
| 6 |
7 |
|
B |
16 |
6 |
19703 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
9 |
12538 |
195.7 |
-0.2 |
0.636 |
1 |
4 |
0 |
0.000 |
| 7 |
8 |
|
[SF4]C:268 |
8 |
1 |
310 |
f |
C |
x,y,z |
1_555 |
25 |
14 |
12538 |
185.5 |
-20.2 |
0.499 |
0 |
0 |
0 |
0.135 |
| 8 |
9 |
|
[SF4]A:268 |
8 |
1 |
310 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
12380 |
185.2 |
-20.1 |
0.454 |
0 |
0 |
0 |
0.135 |
| 9 |
10 |
|
[FSX]A:269 |
10 |
1 |
331 |
cf |
A |
x,y,z |
1_555 |
28 |
14 |
12380 |
179.6 |
-18.0 |
0.196 |
3 |
0 |
0 |
0.130 |
11 |
|
[FSX]C:269 |
10 |
1 |
327 |
cf |
C |
x,y,z |
1_555 |
29 |
15 |
12538 |
176.1 |
-17.8 |
0.207 |
2 |
0 |
0 |
0.130 |
| Average: |
177.9 |
-17.9 |
0.201 |
3 |
0 |
0 |
0.130 |
| 10 |
12 |
|
[F3S]C:267 |
7 |
1 |
305 |
f |
C |
x,y,z |
1_555 |
24 |
13 |
12538 |
173.4 |
-16.9 |
0.271 |
1 |
0 |
0 |
0.117 |
13 |
|
[F3S]A:267 |
7 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
12380 |
173.2 |
-16.9 |
0.285 |
1 |
0 |
0 |
0.117 |
| Average: |
173.3 |
-16.9 |
0.278 |
1 |
0 |
0 |
0.117 |
| 11 |
14 |
|
[FNE]D:543 |
9 |
1 |
305 |
f |
D |
x,y,z |
1_555 |
18 |
11 |
19574 |
162.0 |
-6.1 |
0.266 |
3 |
0 |
0 |
0.050 |
15 |
|
[FNE]B:543 |
9 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
19703 |
159.8 |
-6.0 |
0.261 |
2 |
0 |
0 |
0.050 |
| Average: |
160.9 |
-6.1 |
0.264 |
3 |
0 |
0 |
0.050 |
| 12 |
16 |
|
B |
20 |
7 |
19703 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
11 |
12380 |
161.6 |
2.3 |
0.885 |
0 |
1 |
0 |
0.000 |
| 13 |
17 |
|
D |
16 |
7 |
19574 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
12380 |
124.3 |
-0.7 |
0.555 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
B |
15 |
7 |
19703 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
14 |
7 |
19574 |
122.7 |
0.7 |
0.641 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
B |
12 |
5 |
19703 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
12 |
5 |
19574 |
85.3 |
2.0 |
0.876 |
0 |
2 |
0 |
0.000 |
| 16 |
20 |
|
[H2S]A:904 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
12380 |
77.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.036 |
21 |
|
[H2S]C:904 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
12538 |
77.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
77.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.036 |
| 17 |
22 |
|
[H2S]D:904 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
19574 |
66.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.035 |
23 |
|
[H2S]B:904 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
19703 |
64.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
65.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.035 |
| 18 |
24 |
|
[FSX]A:269 |
4 |
1 |
331 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
19703 |
61.9 |
-4.3 |
0.759 |
0 |
0 |
0 |
0.034 |
25 |
|
[FSX]C:269 |
4 |
1 |
327 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
19574 |
61.5 |
-5.0 |
0.462 |
0 |
0 |
0 |
0.034 |
| Average: |
61.7 |
-4.7 |
0.610 |
0 |
0 |
0 |
0.034 |
| 19 |
26 |
|
C |
6 |
4 |
12538 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12380 |
59.9 |
-0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[F3S]C:267 |
5 |
1 |
305 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
19574 |
54.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
28 |
|
[F3S]A:267 |
5 |
1 |
305 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
19703 |
54.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
54.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| 21 |
29 |
|
[MG]B:901 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
19703 |
54.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.064 |
30 |
|
[MG]D:901 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
19574 |
51.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
52.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.064 |
| 22 |
31 |
|
D |
7 |
3 |
19574 |
x |
D |
x,y,z-1 |
1_554 |
4 |
2 |
19574 |
28.1 |
-0.2 |
0.496 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
B |
4 |
2 |
19703 |
x |
B |
x,y,z-1 |
1_554 |
4 |
2 |
19703 |
26.1 |
0.2 |
0.634 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
B |
4 |
3 |
19703 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
19574 |
23.1 |
0.7 |
0.860 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[FNE]B:543 |
2 |
1 |
302 |
f |
[H2S]B:904 |
x,y,z |
1_555 |
1 |
1 |
133 |
6.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
35 |
|
[FNE]D:543 |
2 |
1 |
305 |
f |
[H2S]D:904 |
x,y,z |
1_555 |
1 |
1 |
133 |
4.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
5.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| 26 |
36 |
|
A |
4 |
4 |
12380 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
3 |
19574 |
5.1 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|