## |
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 |
|
C |
111 |
32 |
9270 |
◊ |
B |
x,y,z |
1_555 |
115 |
33 |
9035 |
1002.5 |
-3.1 |
0.583 |
7 |
4 |
0 |
0.373 |
2 |
|
D |
120 |
31 |
9002 |
◊ |
A |
x,y,z |
1_555 |
115 |
30 |
9402 |
994.5 |
-2.6 |
0.612 |
6 |
2 |
0 |
0.373 |
3 |
|
E |
107 |
33 |
8569 |
◊ |
F |
x,y-1,z |
1_545 |
101 |
36 |
8839 |
899.0 |
-9.8 |
0.343 |
5 |
1 |
0 |
0.373 |
Average: |
965.3 |
-5.2 |
0.513 |
6 |
2 |
0 |
0.373 |
2 |
4 |
|
C |
46 |
15 |
9270 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
59 |
20 |
9402 |
502.3 |
-2.8 |
0.384 |
7 |
0 |
0 |
0.000 |
5 |
|
E |
52 |
16 |
8569 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
44 |
12 |
9002 |
426.7 |
-0.2 |
0.667 |
7 |
0 |
0 |
0.000 |
6 |
|
C |
46 |
14 |
9270 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
37 |
10 |
9035 |
331.0 |
-2.4 |
0.440 |
5 |
0 |
0 |
0.000 |
Average: |
420.0 |
-1.8 |
0.497 |
6 |
0 |
0 |
0.000 |
3 |
7 |
|
B |
55 |
17 |
9035 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
9402 |
464.1 |
-7.2 |
0.144 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
[FMN]F:201 |
31 |
1 |
616 |
f |
F |
x,y,z |
1_555 |
57 |
22 |
8839 |
448.7 |
-5.3 |
0.630 |
13 |
0 |
0 |
0.667 |
9 |
|
[FMN]D:201 |
31 |
1 |
621 |
f |
D |
x,y,z |
1_555 |
53 |
22 |
9002 |
441.8 |
-5.4 |
0.553 |
12 |
0 |
0 |
0.667 |
10 |
|
[FMN]E:201 |
31 |
1 |
615 |
f |
E |
x,y,z |
1_555 |
56 |
23 |
8569 |
438.0 |
-5.5 |
0.591 |
12 |
0 |
0 |
0.667 |
11 |
|
[FMN]C:201 |
31 |
1 |
619 |
f |
C |
x,y,z |
1_555 |
57 |
22 |
9270 |
437.9 |
-5.2 |
0.487 |
12 |
0 |
0 |
0.667 |
12 |
|
[FMN]A:201 |
31 |
1 |
614 |
f |
A |
x,y,z |
1_555 |
55 |
23 |
9402 |
435.5 |
-5.3 |
0.492 |
12 |
0 |
0 |
0.667 |
13 |
|
[FMN]B:201 |
31 |
1 |
611 |
f |
B |
x,y,z |
1_555 |
51 |
22 |
9035 |
434.0 |
-5.1 |
0.569 |
13 |
0 |
0 |
0.667 |
Average: |
439.3 |
-5.3 |
0.554 |
12 |
0 |
0 |
0.667 |
5 |
14 |
|
E |
29 |
12 |
8569 |
◊ |
F |
-x+1,y-1/2,-z-1 |
2_644 |
44 |
14 |
8839 |
309.0 |
-2.0 |
0.523 |
5 |
0 |
0 |
0.000 |
6 |
15 |
|
A |
23 |
8 |
9402 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
28 |
10 |
9035 |
195.7 |
-0.5 |
0.573 |
3 |
2 |
0 |
0.000 |
7 |
16 |
|
F |
19 |
7 |
8839 |
◊ |
D |
x,y,z |
1_555 |
30 |
9 |
9002 |
190.8 |
-1.7 |
0.488 |
1 |
0 |
0 |
0.000 |
8 |
17 |
|
E |
19 |
7 |
8569 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
9002 |
124.3 |
-0.7 |
0.571 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
[SPD]B:204 |
5 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
9035 |
121.8 |
4.4 |
0.207 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
C |
15 |
4 |
9270 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
15 |
6 |
8839 |
112.8 |
0.1 |
0.664 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
[SPD]A:209 |
8 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
9035 |
98.6 |
2.0 |
0.055 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
[SPD]A:209 |
8 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
9402 |
97.7 |
3.0 |
0.063 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[SPD]A:208 |
3 |
1 |
178 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
9402 |
86.3 |
1.6 |
0.331 |
1 |
0 |
0 |
0.000 |
14 |
23 |
|
B |
8 |
2 |
9035 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
11 |
3 |
9402 |
76.9 |
0.8 |
0.719 |
1 |
1 |
0 |
0.000 |
15 |
24 |
|
[SPD]E:203 |
4 |
1 |
205 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
8569 |
74.6 |
2.0 |
0.730 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[SPD]E:203 |
4 |
1 |
205 |
f |
F |
-x+1,y-1/2,-z-1 |
2_644 |
12 |
3 |
8839 |
67.1 |
1.5 |
0.694 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
9402 |
66.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.016 |
18 |
27 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9402 |
66.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.016 |
19 |
28 |
|
[NA]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9035 |
63.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.041 |
20 |
29 |
|
[NA]D:204 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
9002 |
62.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.032 |
21 |
30 |
|
[CL]C:203 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9270 |
60.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.022 |
22 |
31 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
9402 |
58.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.015 |
23 |
32 |
|
[SPD]E:204 |
5 |
1 |
342 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
8569 |
58.4 |
2.2 |
0.166 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[CL]D:203 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
9002 |
56.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.021 |
25 |
34 |
|
[CL]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
9402 |
54.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.013 |
26 |
35 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
9002 |
53.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.037 |
36 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
9035 |
53.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.037 |
37 |
|
C |
13 |
4 |
9270 |
f |
[CL]A:202 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
52.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
53.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.037 |
27 |
38 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9402 |
51.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.012 |
28 |
39 |
|
[NA]C:205 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
9270 |
49.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.015 |
29 |
40 |
|
[CL]C:202 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
9270 |
48.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.015 |
30 |
41 |
|
[CL]A:202 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
9402 |
46.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
10 |
3 |
9270 |
◊ |
[CL]B:202 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
125 |
45.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
E |
11 |
3 |
8569 |
◊ |
[CL]D:202 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
125 |
45.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[CL]A:206 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
9035 |
45.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
45.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[CL]C:204 |
1 |
1 |
125 |
f |
A |
-x,y-1/2,-z |
2_545 |
6 |
3 |
9402 |
44.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.011 |
32 |
46 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
9035 |
42.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[CL]C:204 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
9270 |
32.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
C |
2 |
2 |
9270 |
◊ |
[CL]A:204 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
29.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
[NA]B:203 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9270 |
22.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[CL]A:207 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9002 |
17.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
[CL]E:202 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
8569 |
15.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.051 |
38 |
52 |
|
[NA]C:205 |
1 |
1 |
125 |
f |
[CL]C:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.005 |
39 |
53 |
|
[CL]C:202 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
2 |
9402 |
7.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
[FMN]D:201 |
3 |
1 |
621 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
8839 |
7.7 |
-0.5 |
0.448 |
0 |
0 |
0 |
0.000 |
41 |
55 |
|
[SPD]E:204 |
2 |
1 |
342 |
f |
[CL]E:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
42 |
56 |
|
[NA]B:203 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
9402 |
3.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
57 |
|
[CL]C:203 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9402 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
58 |
|
[NA]D:204 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9402 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|