## |
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 |
|
M |
332 |
91 |
17756 |
◊ |
T |
x,y,z |
1_555 |
332 |
84 |
13590 |
3260.7 |
-31.9 |
0.068 |
50 |
16 |
0 |
0.301 |
2 |
|
L |
342 |
92 |
17822 |
◊ |
S |
x,y,z |
1_555 |
327 |
83 |
13662 |
3215.3 |
-31.8 |
0.080 |
49 |
12 |
0 |
0.301 |
Average: |
3238.0 |
-31.8 |
0.074 |
50 |
14 |
0 |
0.301 |
2 |
3 |
|
T |
45 |
17 |
13590 |
◊ |
L |
x,y-1,z |
1_545 |
44 |
14 |
17822 |
360.1 |
-5.0 |
0.161 |
1 |
1 |
0 |
0.000 |
3 |
4 |
|
T |
35 |
12 |
13590 |
◊ |
S |
x-1/2,-y-1/2,-z |
4_445 |
31 |
10 |
13662 |
335.6 |
-2.9 |
0.433 |
2 |
2 |
0 |
0.000 |
4 |
5 |
|
L |
35 |
14 |
17822 |
◊ |
S |
x-1/2,-y+1/2,-z |
4_455 |
44 |
11 |
13662 |
301.0 |
0.9 |
0.780 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
M |
24 |
8 |
17756 |
◊ |
L |
x,y,z |
1_555 |
35 |
10 |
17822 |
251.3 |
-3.3 |
0.149 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
M |
25 |
11 |
17756 |
◊ |
S |
x,y,z |
1_555 |
27 |
10 |
13662 |
205.6 |
2.6 |
0.896 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[SF4]T:301 |
8 |
1 |
308 |
f |
T |
x,y,z |
1_555 |
24 |
13 |
13590 |
182.2 |
-20.1 |
0.596 |
0 |
0 |
0 |
0.109 |
9 |
|
[SF4]S:301 |
8 |
1 |
306 |
f |
S |
x,y,z |
1_555 |
25 |
13 |
13662 |
181.9 |
-20.0 |
0.607 |
0 |
0 |
0 |
0.109 |
Average: |
182.0 |
-20.1 |
0.602 |
0 |
0 |
0 |
0.109 |
8 |
10 |
|
[SF4]S:303 |
8 |
1 |
310 |
f |
S |
x,y,z |
1_555 |
29 |
15 |
13662 |
170.3 |
-18.8 |
0.191 |
1 |
0 |
0 |
0.105 |
11 |
|
[SF4]T:303 |
8 |
1 |
308 |
f |
T |
x,y,z |
1_555 |
31 |
15 |
13590 |
169.8 |
-18.7 |
0.186 |
1 |
0 |
0 |
0.105 |
Average: |
170.0 |
-18.7 |
0.188 |
1 |
0 |
0 |
0.105 |
9 |
12 |
|
[SF4]T:302 |
8 |
1 |
307 |
f |
T |
x,y,z |
1_555 |
28 |
14 |
13590 |
165.1 |
-18.5 |
0.268 |
1 |
0 |
0 |
0.103 |
13 |
|
[SF4]S:302 |
8 |
1 |
307 |
f |
S |
x,y,z |
1_555 |
29 |
15 |
13662 |
164.2 |
-18.4 |
0.279 |
1 |
0 |
0 |
0.103 |
Average: |
164.7 |
-18.5 |
0.274 |
1 |
0 |
0 |
0.103 |
10 |
14 |
|
T |
22 |
9 |
13590 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
8 |
17822 |
162.7 |
2.1 |
0.867 |
2 |
3 |
0 |
0.000 |
11 |
15 |
|
S |
16 |
5 |
13662 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
5 |
17822 |
130.3 |
-0.5 |
0.582 |
1 |
2 |
0 |
0.000 |
12 |
16 |
|
[GOL]M:505 |
6 |
1 |
220 |
f |
M |
x,y,z |
1_555 |
19 |
5 |
17756 |
108.9 |
-0.6 |
0.491 |
2 |
0 |
0 |
0.008 |
13 |
17 |
|
[FCO]L:501 |
7 |
1 |
262 |
f |
L |
x,y,z |
1_555 |
17 |
11 |
17822 |
104.3 |
-1.7 |
0.297 |
0 |
0 |
0 |
0.009 |
18 |
|
[FCO]M:501 |
7 |
1 |
262 |
f |
M |
x,y,z |
1_555 |
16 |
11 |
17756 |
102.3 |
-1.7 |
0.290 |
0 |
0 |
0 |
0.009 |
Average: |
103.3 |
-1.7 |
0.293 |
0 |
0 |
0 |
0.009 |
14 |
19 |
|
[GOL]S:306 |
6 |
1 |
220 |
f |
M |
x,y,z |
1_555 |
20 |
6 |
17756 |
103.4 |
-1.2 |
0.400 |
0 |
0 |
0 |
0.006 |
15 |
20 |
|
[GOL]M:506 |
6 |
1 |
213 |
f |
M |
x,y,z |
1_555 |
14 |
5 |
17756 |
97.8 |
0.5 |
0.672 |
3 |
0 |
0 |
0.004 |
16 |
21 |
|
[UOX]L:492 |
7 |
1 |
268 |
f |
L |
x,y,z |
1_555 |
5 |
5 |
17822 |
97.7 |
-1.5 |
0.558 |
2 |
0 |
0 |
0.013 |
22 |
|
[UOX]M:492 |
7 |
1 |
266 |
f |
M |
x,y,z |
1_555 |
9 |
7 |
17756 |
97.4 |
-1.6 |
0.583 |
2 |
0 |
0 |
0.013 |
Average: |
97.6 |
-1.6 |
0.571 |
2 |
0 |
0 |
0.013 |
17 |
23 |
|
M |
12 |
4 |
17756 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
17822 |
85.6 |
2.2 |
0.894 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[GOL]S:307 |
6 |
1 |
220 |
f |
S |
x,y,z |
1_555 |
13 |
4 |
13662 |
78.8 |
-0.3 |
0.623 |
2 |
0 |
0 |
0.006 |
19 |
25 |
|
[CL]S:305 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
14 |
7 |
13662 |
76.9 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.065 |
20 |
26 |
|
[GOL]S:306 |
5 |
1 |
220 |
◊ |
S |
x,y,z |
1_555 |
6 |
2 |
13662 |
64.9 |
0.7 |
0.708 |
3 |
0 |
0 |
0.000 |
21 |
27 |
|
[SF4]T:303 |
4 |
1 |
308 |
◊ |
M |
x,y,z |
1_555 |
12 |
5 |
17756 |
63.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.025 |
28 |
|
[SF4]S:303 |
4 |
1 |
310 |
◊ |
L |
x,y,z |
1_555 |
13 |
5 |
17822 |
63.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
63.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.025 |
22 |
29 |
|
[H2S]L:504 |
1 |
1 |
133 |
f |
L |
x,y,z |
1_555 |
8 |
6 |
17822 |
62.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.027 |
30 |
|
[H2S]M:504 |
1 |
1 |
133 |
f |
M |
x,y,z |
1_555 |
5 |
5 |
17756 |
62.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
62.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.027 |
23 |
31 |
|
[GOL]M:506 |
5 |
1 |
213 |
◊ |
S |
x,y,z |
1_555 |
11 |
3 |
13662 |
58.7 |
-0.1 |
0.633 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
[SF4]S:302 |
4 |
1 |
307 |
◊ |
L |
x,y,z |
1_555 |
8 |
2 |
17822 |
55.8 |
-3.0 |
0.000 |
1 |
0 |
0 |
0.019 |
33 |
|
[SF4]T:302 |
4 |
1 |
307 |
◊ |
M |
x,y,z |
1_555 |
8 |
2 |
17756 |
55.6 |
-3.0 |
0.000 |
1 |
0 |
0 |
0.019 |
Average: |
55.7 |
-3.0 |
0.000 |
1 |
0 |
0 |
0.019 |
25 |
34 |
|
[CA]L:503 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
12 |
7 |
17822 |
50.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.067 |
35 |
|
[CA]M:503 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
12 |
6 |
17756 |
50.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
50.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.067 |
26 |
36 |
|
[CA]M:507 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
13 |
6 |
17756 |
44.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.048 |
27 |
37 |
|
[NI]L:502 |
1 |
1 |
115 |
cf |
[UOX]L:492 |
x,y,z |
1_555 |
2 |
1 |
268 |
44.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.035 |
38 |
|
[NI]M:502 |
1 |
1 |
115 |
cf |
[UOX]M:492 |
x,y,z |
1_555 |
2 |
1 |
266 |
42.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
43.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.035 |
28 |
39 |
|
L |
7 |
2 |
17822 |
◊ |
[GOL]S:307 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
220 |
43.7 |
0.9 |
0.724 |
2 |
0 |
0 |
0.000 |
29 |
40 |
|
[FCO]L:501 |
4 |
1 |
262 |
f |
[UOX]L:492 |
x,y,z |
1_555 |
5 |
1 |
268 |
43.3 |
-1.0 |
0.574 |
0 |
0 |
0 |
0.005 |
41 |
|
[FCO]M:501 |
4 |
1 |
262 |
cf |
[UOX]M:492 |
x,y,z |
1_555 |
5 |
1 |
266 |
43.2 |
-0.9 |
0.611 |
0 |
0 |
0 |
0.005 |
Average: |
43.3 |
-0.9 |
0.592 |
0 |
0 |
0 |
0.005 |
30 |
42 |
|
L |
5 |
3 |
17822 |
f |
[CA]S:304 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
36.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.037 |
31 |
43 |
|
[CA]T:305 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
4 |
3 |
13590 |
35.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.036 |
32 |
44 |
|
[CA]T:306 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
5 |
3 |
13590 |
34.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.034 |
33 |
45 |
|
M |
3 |
1 |
17756 |
◊ |
L |
x,y-1,z |
1_545 |
2 |
1 |
17822 |
32.7 |
1.2 |
0.900 |
1 |
2 |
0 |
0.000 |
34 |
46 |
|
[NI]M:502 |
1 |
1 |
115 |
f |
[FCO]M:501 |
x,y,z |
1_555 |
3 |
1 |
262 |
32.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.031 |
47 |
|
[NI]L:502 |
1 |
1 |
115 |
f |
[FCO]L:501 |
x,y,z |
1_555 |
3 |
1 |
262 |
31.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
31.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.031 |
35 |
48 |
|
[CA]T:306 |
1 |
1 |
85 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
17822 |
32.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
[CA]S:304 |
1 |
1 |
85 |
◊ |
S |
x,y,z |
1_555 |
7 |
3 |
13662 |
31.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[CA]T:304 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
5 |
2 |
13590 |
28.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.022 |
51 |
|
[CA]S:308 |
1 |
1 |
85 |
f |
S |
x,y,z |
1_555 |
5 |
2 |
13662 |
24.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
26.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.022 |
38 |
52 |
|
S |
2 |
1 |
13662 |
◊ |
M |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
17756 |
24.4 |
1.0 |
0.875 |
1 |
0 |
0 |
0.000 |
39 |
53 |
|
[CA]M:507 |
1 |
1 |
85 |
◊ |
T |
x,y,z |
1_555 |
7 |
3 |
13590 |
21.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.018 |
40 |
54 |
|
[GOL]S:306 |
3 |
1 |
220 |
f |
[GOL]M:506 |
x,y,z |
1_555 |
3 |
1 |
213 |
20.2 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
41 |
55 |
|
[CA]S:308 |
1 |
1 |
85 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
17822 |
17.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.016 |
56 |
|
[CA]T:304 |
1 |
1 |
85 |
◊ |
M |
x,y,z |
1_555 |
3 |
2 |
17756 |
16.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
17.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.016 |
42 |
57 |
|
[H2S]L:504 |
1 |
1 |
133 |
f |
[FCO]L:501 |
x,y,z |
1_555 |
2 |
1 |
262 |
8.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
58 |
|
[H2S]M:504 |
1 |
1 |
133 |
f |
[FCO]M:501 |
x,y,z |
1_555 |
2 |
1 |
262 |
7.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
8.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
43 |
59 |
|
[CL]S:305 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
17822 |
7.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
44 |
60 |
|
[CA]T:305 |
1 |
1 |
85 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
17822 |
7.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
61 |
|
T |
1 |
1 |
13590 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
17756 |
2.8 |
-0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
46 |
62 |
|
M |
1 |
1 |
17756 |
◊ |
S |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
13662 |
2.0 |
0.1 |
0.751 |
0 |
0 |
0 |
0.000 |
|