## |
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 |
337 |
91 |
17788 |
◊ |
T |
x,y,z |
1_555 |
328 |
84 |
13551 |
3271.0 |
-31.6 |
0.064 |
53 |
15 |
0 |
0.344 |
2 |
|
L |
341 |
93 |
17858 |
◊ |
S |
x,y,z |
1_555 |
326 |
83 |
13655 |
3219.2 |
-31.9 |
0.077 |
50 |
14 |
0 |
0.344 |
Average: |
3245.1 |
-31.7 |
0.071 |
52 |
15 |
0 |
0.344 |
2 |
3 |
|
T |
39 |
16 |
13551 |
◊ |
L |
x,y-1,z |
1_545 |
41 |
14 |
17858 |
338.4 |
-4.6 |
0.234 |
1 |
1 |
0 |
0.000 |
3 |
4 |
|
T |
35 |
12 |
13551 |
◊ |
S |
x-1/2,-y-1/2,-z |
4_445 |
31 |
10 |
13655 |
337.6 |
-3.0 |
0.419 |
2 |
2 |
0 |
0.000 |
4 |
5 |
|
L |
34 |
13 |
17858 |
◊ |
S |
x-1/2,-y+1/2,-z |
4_455 |
45 |
11 |
13655 |
301.6 |
0.9 |
0.775 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
M |
22 |
8 |
17788 |
◊ |
L |
x,y,z |
1_555 |
34 |
9 |
17858 |
249.3 |
-3.1 |
0.132 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
M |
25 |
10 |
17788 |
◊ |
S |
x,y,z |
1_555 |
26 |
10 |
13655 |
191.6 |
2.0 |
0.840 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[SF4]S:301 |
8 |
1 |
305 |
f |
S |
x,y,z |
1_555 |
25 |
13 |
13655 |
181.9 |
-20.0 |
0.570 |
0 |
0 |
0 |
0.122 |
9 |
|
[SF4]T:301 |
8 |
1 |
308 |
f |
T |
x,y,z |
1_555 |
23 |
13 |
13551 |
181.7 |
-20.7 |
0.360 |
0 |
0 |
0 |
0.122 |
Average: |
181.8 |
-20.3 |
0.465 |
0 |
0 |
0 |
0.122 |
8 |
10 |
|
[SF4]S:303 |
8 |
1 |
310 |
f |
S |
x,y,z |
1_555 |
28 |
14 |
13655 |
170.0 |
-18.8 |
0.195 |
1 |
0 |
0 |
0.118 |
11 |
|
[SF4]T:303 |
8 |
1 |
309 |
f |
T |
x,y,z |
1_555 |
30 |
15 |
13551 |
169.6 |
-18.7 |
0.182 |
1 |
0 |
0 |
0.118 |
Average: |
169.8 |
-18.7 |
0.188 |
1 |
0 |
0 |
0.118 |
9 |
12 |
|
[SF4]S:302 |
8 |
1 |
307 |
f |
S |
x,y,z |
1_555 |
27 |
15 |
13655 |
165.2 |
-18.5 |
0.256 |
1 |
0 |
0 |
0.116 |
13 |
|
[SF4]T:302 |
8 |
1 |
307 |
f |
T |
x,y,z |
1_555 |
27 |
14 |
13551 |
164.8 |
-18.5 |
0.249 |
2 |
0 |
0 |
0.116 |
Average: |
165.0 |
-18.5 |
0.252 |
2 |
0 |
0 |
0.116 |
10 |
14 |
|
T |
22 |
9 |
13551 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
8 |
17858 |
157.4 |
2.1 |
0.871 |
2 |
3 |
0 |
0.000 |
11 |
15 |
|
S |
16 |
5 |
13655 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
5 |
17858 |
132.3 |
-0.5 |
0.579 |
1 |
2 |
0 |
0.000 |
12 |
16 |
|
[FCO]M:501 |
7 |
1 |
263 |
f |
M |
x,y,z |
1_555 |
16 |
9 |
17788 |
122.7 |
-1.6 |
0.327 |
0 |
0 |
0 |
0.010 |
17 |
|
[FCO]L:501 |
7 |
1 |
261 |
f |
L |
x,y,z |
1_555 |
16 |
9 |
17858 |
121.3 |
-1.6 |
0.300 |
0 |
0 |
0 |
0.010 |
Average: |
122.0 |
-1.6 |
0.313 |
0 |
0 |
0 |
0.010 |
13 |
18 |
|
[GOL]S:305 |
6 |
1 |
220 |
f |
M |
x,y,z |
1_555 |
19 |
6 |
17788 |
102.0 |
-1.1 |
0.416 |
0 |
0 |
0 |
0.006 |
14 |
19 |
|
[GOL]M:505 |
6 |
1 |
219 |
◊ |
M |
x,y,z |
1_555 |
16 |
6 |
17788 |
99.9 |
2.6 |
0.821 |
5 |
0 |
0 |
0.000 |
15 |
20 |
|
[GOL]M:506 |
6 |
1 |
219 |
f |
M |
x,y,z |
1_555 |
19 |
5 |
17788 |
96.4 |
-0.1 |
0.557 |
1 |
0 |
0 |
0.003 |
16 |
21 |
|
M |
14 |
4 |
17788 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
17858 |
93.4 |
1.1 |
0.755 |
2 |
1 |
0 |
0.000 |
17 |
22 |
|
[GOL]S:306 |
6 |
1 |
220 |
f |
S |
x,y,z |
1_555 |
13 |
4 |
13655 |
79.1 |
-0.3 |
0.620 |
2 |
0 |
0 |
0.007 |
18 |
23 |
|
[GOL]M:505 |
4 |
1 |
219 |
f |
S |
x,y,z |
1_555 |
11 |
3 |
13655 |
65.1 |
-0.6 |
0.445 |
0 |
0 |
0 |
0.004 |
19 |
24 |
|
[GOL]S:305 |
5 |
1 |
220 |
◊ |
S |
x,y,z |
1_555 |
6 |
2 |
13655 |
64.3 |
0.6 |
0.702 |
3 |
0 |
0 |
0.000 |
20 |
25 |
|
[SF4]T:303 |
4 |
1 |
309 |
◊ |
M |
x,y,z |
1_555 |
12 |
5 |
17788 |
63.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.028 |
26 |
|
[SF4]S:303 |
4 |
1 |
310 |
◊ |
L |
x,y,z |
1_555 |
13 |
5 |
17858 |
63.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
63.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.028 |
21 |
27 |
|
[H2S]L:504 |
1 |
1 |
133 |
f |
L |
x,y,z |
1_555 |
8 |
6 |
17858 |
63.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.031 |
28 |
|
[H2S]M:504 |
1 |
1 |
133 |
f |
M |
x,y,z |
1_555 |
5 |
5 |
17788 |
62.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
62.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.031 |
22 |
29 |
|
[SF4]T:302 |
4 |
1 |
307 |
◊ |
M |
x,y,z |
1_555 |
8 |
2 |
17788 |
55.7 |
-3.0 |
0.000 |
1 |
0 |
0 |
0.021 |
30 |
|
[SF4]S:302 |
4 |
1 |
307 |
◊ |
L |
x,y,z |
1_555 |
8 |
2 |
17858 |
55.3 |
-3.0 |
0.000 |
1 |
0 |
0 |
0.021 |
Average: |
55.5 |
-3.0 |
0.000 |
1 |
0 |
0 |
0.021 |
23 |
31 |
|
[CA]L:503 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
12 |
7 |
17858 |
50.9 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.075 |
32 |
|
[CA]M:503 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
12 |
7 |
17788 |
50.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
50.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.075 |
24 |
33 |
|
L |
7 |
2 |
17858 |
◊ |
[GOL]S:306 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
220 |
45.0 |
0.8 |
0.720 |
2 |
0 |
0 |
0.000 |
25 |
34 |
|
L |
5 |
3 |
17858 |
f |
[CA]S:304 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
36.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.042 |
26 |
35 |
|
[NI]M:502 |
1 |
1 |
115 |
f |
[FCO]M:501 |
x,y,z |
1_555 |
3 |
1 |
263 |
35.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.039 |
36 |
|
[NI]L:502 |
1 |
1 |
115 |
f |
[FCO]L:501 |
x,y,z |
1_555 |
3 |
1 |
261 |
35.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
35.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.039 |
27 |
37 |
|
[CA]T:305 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
4 |
3 |
13551 |
35.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.040 |
28 |
38 |
|
[CA]T:306 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
6 |
3 |
13551 |
34.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.039 |
29 |
39 |
|
M |
3 |
1 |
17788 |
◊ |
L |
x,y-1,z |
1_545 |
2 |
1 |
17858 |
31.4 |
1.2 |
0.899 |
2 |
2 |
0 |
0.000 |
30 |
40 |
|
[CA]S:304 |
1 |
1 |
85 |
◊ |
S |
x,y,z |
1_555 |
7 |
3 |
13655 |
31.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[CA]T:306 |
1 |
1 |
85 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
17858 |
30.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[CA]T:304 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
5 |
2 |
13551 |
29.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.026 |
43 |
|
[CA]S:307 |
1 |
1 |
85 |
f |
S |
x,y,z |
1_555 |
5 |
2 |
13655 |
25.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
27.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
33 |
44 |
|
S |
2 |
1 |
13655 |
◊ |
M |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
17788 |
23.9 |
1.0 |
0.874 |
1 |
0 |
0 |
0.000 |
34 |
45 |
|
[GOL]S:305 |
3 |
1 |
220 |
◊ |
[GOL]M:505 |
x,y,z |
1_555 |
1 |
1 |
219 |
21.6 |
-0.0 |
0.479 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[CA]S:307 |
1 |
1 |
85 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
17858 |
17.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.018 |
47 |
|
[CA]T:304 |
1 |
1 |
85 |
◊ |
M |
x,y,z |
1_555 |
3 |
2 |
17788 |
15.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
16.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.018 |
36 |
48 |
|
M |
3 |
1 |
17788 |
◊ |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
17858 |
14.3 |
0.7 |
0.843 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
M |
2 |
2 |
17788 |
◊ |
S |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
13655 |
9.5 |
0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
[H2S]L:504 |
1 |
1 |
133 |
f |
[FCO]L:501 |
x,y,z |
1_555 |
2 |
1 |
261 |
8.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
51 |
|
[H2S]M:504 |
1 |
1 |
133 |
f |
[FCO]M:501 |
x,y,z |
1_555 |
2 |
1 |
263 |
8.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
8.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
39 |
52 |
|
[CA]T:305 |
1 |
1 |
85 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
17858 |
5.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
T |
1 |
1 |
13551 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
17788 |
0.4 |
0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
|