## |
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 |
102 |
33 |
7854 |
◊ |
A |
x,y,z |
1_555 |
115 |
32 |
7687 |
955.5 |
-8.7 |
0.407 |
14 |
6 |
0 |
0.243 |
2 |
|
C |
116 |
32 |
7724 |
◊ |
A |
x,y,z |
1_555 |
105 |
34 |
7687 |
944.8 |
-11.3 |
0.232 |
11 |
3 |
0 |
0.243 |
3 |
|
F |
108 |
31 |
7731 |
◊ |
D |
x,y,z |
1_555 |
102 |
31 |
7730 |
932.2 |
-10.0 |
0.291 |
12 |
3 |
0 |
0.243 |
4 |
|
F |
104 |
32 |
7731 |
◊ |
E |
x,y,z |
1_555 |
108 |
30 |
7876 |
918.5 |
-8.4 |
0.341 |
12 |
4 |
0 |
0.243 |
5 |
|
E |
100 |
32 |
7876 |
◊ |
D |
x,y,z |
1_555 |
108 |
31 |
7730 |
916.7 |
-7.6 |
0.420 |
15 |
5 |
0 |
0.243 |
6 |
|
C |
95 |
32 |
7724 |
◊ |
B |
x,y,z |
1_555 |
103 |
28 |
7854 |
861.5 |
-9.7 |
0.268 |
9 |
2 |
0 |
0.243 |
Average: |
921.5 |
-9.3 |
0.326 |
12 |
4 |
0 |
0.243 |
2 |
7 |
|
A |
46 |
13 |
7687 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
47 |
13 |
7687 |
485.5 |
-5.9 |
0.272 |
2 |
0 |
0 |
0.000 |
8 |
|
D |
48 |
14 |
7730 |
◊ |
C |
x,y,z |
1_555 |
45 |
14 |
7724 |
484.6 |
-7.4 |
0.168 |
2 |
0 |
0 |
0.000 |
9 |
|
F |
46 |
13 |
7731 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
44 |
13 |
7854 |
479.9 |
-7.6 |
0.157 |
3 |
0 |
0 |
0.000 |
Average: |
483.3 |
-7.0 |
0.199 |
2 |
0 |
0 |
0.000 |
3 |
10 |
|
[C5P]B:901 |
18 |
1 |
450 |
f |
C |
x,y,z |
1_555 |
32 |
12 |
7724 |
246.1 |
-0.9 |
0.712 |
9 |
0 |
0 |
0.095 |
11 |
|
[C5P]D:901 |
18 |
1 |
462 |
f |
E |
x,y,z |
1_555 |
33 |
12 |
7876 |
232.4 |
-2.1 |
0.626 |
8 |
0 |
0 |
0.095 |
12 |
|
[C5P]C:901 |
19 |
1 |
457 |
f |
A |
x,y,z |
1_555 |
33 |
12 |
7687 |
227.0 |
-2.0 |
0.665 |
11 |
0 |
0 |
0.095 |
13 |
|
[C5P]F:901 |
18 |
1 |
446 |
f |
D |
x,y,z |
1_555 |
33 |
13 |
7730 |
225.7 |
-2.9 |
0.580 |
9 |
0 |
0 |
0.095 |
14 |
|
[C5P]A:901 |
19 |
1 |
447 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
7854 |
218.8 |
-2.3 |
0.632 |
9 |
0 |
0 |
0.095 |
Average: |
230.0 |
-2.1 |
0.643 |
9 |
0 |
0 |
0.095 |
4 |
15 |
|
[C5P]E:901 |
18 |
1 |
459 |
f |
F |
x,y,z |
1_555 |
31 |
12 |
7731 |
234.9 |
-2.8 |
0.595 |
8 |
0 |
0 |
0.033 |
5 |
16 |
|
[CDI]D:421 |
15 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
31 |
13 |
7730 |
214.3 |
4.3 |
0.405 |
8 |
0 |
0 |
0.000 |
17 |
|
[CDI]A:421 |
15 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
35 |
14 |
7687 |
208.2 |
4.8 |
0.478 |
9 |
0 |
0 |
0.000 |
18 |
|
[CDI]C:421 |
15 |
1 |
366 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
7724 |
205.8 |
4.3 |
0.436 |
8 |
0 |
0 |
0.000 |
Average: |
209.5 |
4.4 |
0.440 |
8 |
0 |
0 |
0.000 |
6 |
19 |
|
[CDI]F:421 |
15 |
1 |
360 |
f |
F |
x,y,z |
1_555 |
34 |
13 |
7731 |
213.1 |
4.6 |
0.498 |
5 |
0 |
0 |
0.000 |
20 |
|
[CDI]B:421 |
15 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
34 |
14 |
7854 |
213.0 |
5.4 |
0.443 |
7 |
0 |
0 |
0.000 |
Average: |
213.0 |
5.0 |
0.470 |
6 |
0 |
0 |
0.000 |
7 |
21 |
|
[CDI]E:421 |
15 |
1 |
361 |
f |
E |
x,y,z |
1_555 |
32 |
14 |
7876 |
206.1 |
4.0 |
0.373 |
8 |
0 |
0 |
0.000 |
8 |
22 |
|
F |
25 |
8 |
7731 |
◊ |
E |
x,y,z-1 |
1_554 |
30 |
9 |
7876 |
199.5 |
-2.2 |
0.483 |
0 |
0 |
0 |
0.000 |
9 |
23 |
|
[GPP]G:903 |
16 |
1 |
518 |
◊ |
C |
x,y,z |
1_555 |
23 |
10 |
7724 |
181.8 |
1.7 |
0.578 |
3 |
0 |
0 |
0.000 |
10 |
24 |
|
[GPP]H:903 |
18 |
1 |
520 |
◊ |
F |
x,y,z |
1_555 |
20 |
10 |
7731 |
179.1 |
1.2 |
0.541 |
3 |
0 |
0 |
0.000 |
11 |
25 |
|
[GPP]H:903 |
16 |
1 |
520 |
◊ |
E |
x,y,z |
1_555 |
20 |
9 |
7876 |
151.9 |
-1.8 |
0.413 |
3 |
0 |
0 |
0.018 |
26 |
|
[GPP]G:903 |
16 |
1 |
518 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
7854 |
151.6 |
-1.6 |
0.408 |
4 |
0 |
0 |
0.018 |
Average: |
151.8 |
-1.7 |
0.410 |
4 |
0 |
0 |
0.018 |
12 |
27 |
|
[GPP]H:903 |
13 |
1 |
520 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
7730 |
117.4 |
-3.1 |
0.410 |
4 |
0 |
0 |
0.025 |
13 |
28 |
|
[GPP]G:903 |
9 |
1 |
518 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7687 |
114.6 |
-3.7 |
0.311 |
3 |
0 |
0 |
0.026 |
14 |
29 |
|
[C5P]C:901 |
10 |
1 |
457 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
7724 |
108.1 |
-2.5 |
0.513 |
1 |
0 |
0 |
0.036 |
30 |
|
[C5P]A:901 |
10 |
1 |
447 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
7687 |
104.4 |
-2.9 |
0.478 |
0 |
0 |
0 |
0.036 |
31 |
|
[C5P]F:901 |
9 |
1 |
446 |
◊ |
F |
x,y,z |
1_555 |
15 |
6 |
7731 |
101.7 |
-2.0 |
0.538 |
0 |
0 |
0 |
0.036 |
32 |
|
[C5P]B:901 |
8 |
1 |
450 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
7854 |
83.7 |
-1.0 |
0.606 |
0 |
0 |
0 |
0.036 |
Average: |
99.5 |
-2.1 |
0.534 |
0 |
0 |
0 |
0.036 |
15 |
33 |
|
[C5P]E:901 |
8 |
1 |
459 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
7876 |
93.7 |
-1.1 |
0.602 |
1 |
0 |
0 |
0.013 |
34 |
|
[C5P]D:901 |
10 |
1 |
462 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
7730 |
82.5 |
-0.9 |
0.664 |
0 |
0 |
0 |
0.013 |
Average: |
88.1 |
-1.0 |
0.633 |
1 |
0 |
0 |
0.013 |
16 |
35 |
|
E |
9 |
3 |
7876 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
13 |
4 |
7854 |
92.3 |
-0.7 |
0.551 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
C |
14 |
4 |
7724 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
4 |
7730 |
78.0 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
18 |
37 |
|
[C5P]A:901 |
7 |
1 |
447 |
◊ |
[CDI]A:421 |
x,y,z |
1_555 |
8 |
1 |
362 |
52.6 |
-0.8 |
0.036 |
0 |
0 |
0 |
0.007 |
38 |
|
[C5P]C:901 |
7 |
1 |
457 |
◊ |
[CDI]C:421 |
x,y,z |
1_555 |
7 |
1 |
366 |
50.5 |
-0.5 |
0.067 |
0 |
0 |
0 |
0.007 |
Average: |
51.5 |
-0.6 |
0.051 |
0 |
0 |
0 |
0.007 |
19 |
39 |
|
[C5P]E:901 |
5 |
1 |
459 |
◊ |
[CDI]E:421 |
x,y,z |
1_555 |
5 |
1 |
361 |
46.3 |
-1.1 |
0.055 |
0 |
0 |
0 |
0.006 |
20 |
40 |
|
[C5P]D:901 |
6 |
1 |
462 |
◊ |
[CDI]D:421 |
x,y,z |
1_555 |
6 |
1 |
360 |
46.1 |
-0.9 |
0.070 |
0 |
0 |
0 |
0.005 |
21 |
41 |
|
[C5P]F:901 |
7 |
1 |
446 |
◊ |
[CDI]F:421 |
x,y,z |
1_555 |
6 |
1 |
360 |
45.8 |
-0.6 |
0.040 |
0 |
0 |
0 |
0.003 |
42 |
|
[C5P]B:901 |
4 |
1 |
450 |
◊ |
[CDI]B:421 |
x,y,z |
1_555 |
6 |
1 |
359 |
42.4 |
-0.6 |
0.018 |
0 |
0 |
0 |
0.003 |
Average: |
44.1 |
-0.6 |
0.029 |
0 |
0 |
0 |
0.003 |
22 |
43 |
|
[ZN]B:900 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
7854 |
37.2 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.373 |
44 |
|
[ZN]F:900 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
7731 |
36.3 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.373 |
45 |
|
[ZN]E:900 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
7876 |
35.0 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.373 |
46 |
|
[ZN]D:900 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
7730 |
34.2 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.373 |
47 |
|
[ZN]A:900 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7687 |
33.5 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.373 |
48 |
|
[ZN]C:900 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
7724 |
33.4 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.373 |
Average: |
34.9 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.373 |
23 |
49 |
|
A |
4 |
3 |
7687 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
2 |
7730 |
36.1 |
-1.0 |
0.259 |
0 |
0 |
0 |
0.000 |
24 |
50 |
|
[MN]C:902 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
7724 |
32.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.027 |
51 |
|
[MN]C:902 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7687 |
31.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.027 |
52 |
|
[MN]D:902 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7730 |
31.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.027 |
53 |
|
[MN]D:902 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
7876 |
30.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
54 |
|
[MN]D:902 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
7731 |
30.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
55 |
|
[MN]C:902 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7854 |
28.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
30.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
25 |
56 |
|
C |
3 |
2 |
7724 |
◊ |
C |
-x+1,y,-z+3 |
2_658 |
3 |
2 |
7724 |
32.1 |
0.7 |
0.863 |
0 |
0 |
0 |
0.000 |
26 |
57 |
|
[ZN]D:900 |
1 |
1 |
98 |
f |
[CDI]D:421 |
x,y,z |
1_555 |
6 |
1 |
360 |
31.2 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.221 |
58 |
|
[ZN]B:900 |
1 |
1 |
98 |
f |
[CDI]B:421 |
x,y,z |
1_555 |
7 |
1 |
359 |
29.7 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.221 |
59 |
|
[ZN]A:900 |
1 |
1 |
98 |
f |
[CDI]A:421 |
x,y,z |
1_555 |
6 |
1 |
362 |
29.2 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.221 |
60 |
|
[ZN]F:900 |
1 |
1 |
98 |
f |
[CDI]F:421 |
x,y,z |
1_555 |
7 |
1 |
360 |
29.1 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.221 |
61 |
|
[ZN]E:900 |
1 |
1 |
98 |
f |
[CDI]E:421 |
x,y,z |
1_555 |
6 |
1 |
361 |
29.1 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.221 |
62 |
|
[ZN]C:900 |
1 |
1 |
98 |
f |
[CDI]C:421 |
x,y,z |
1_555 |
5 |
1 |
366 |
27.8 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.221 |
Average: |
29.4 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.221 |
27 |
63 |
|
[CDI]C:421 |
4 |
1 |
366 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7687 |
29.7 |
0.6 |
0.090 |
0 |
0 |
0 |
0.000 |
64 |
|
[CDI]B:421 |
4 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
7724 |
29.1 |
0.7 |
0.037 |
0 |
0 |
0 |
0.000 |
65 |
|
[CDI]E:421 |
3 |
1 |
361 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
7731 |
26.9 |
0.6 |
0.083 |
0 |
0 |
0 |
0.000 |
66 |
|
[CDI]A:421 |
4 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7854 |
26.5 |
0.6 |
0.068 |
0 |
0 |
0 |
0.000 |
67 |
|
[CDI]F:421 |
4 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
7730 |
26.0 |
0.7 |
0.061 |
0 |
0 |
0 |
0.000 |
68 |
|
[CDI]D:421 |
2 |
1 |
360 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
7876 |
16.6 |
0.4 |
0.243 |
0 |
0 |
0 |
0.000 |
Average: |
25.8 |
0.6 |
0.097 |
0 |
0 |
0 |
0.000 |
28 |
69 |
|
[GPP]H:903 |
2 |
1 |
520 |
◊ |
[MN]D:902 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[GPP]G:903 |
2 |
1 |
518 |
◊ |
[MN]C:902 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
12.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
71 |
|
F |
1 |
1 |
7731 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
7687 |
10.0 |
0.2 |
0.459 |
0 |
0 |
0 |
0.000 |
30 |
72 |
|
[C5P]C:901 |
2 |
1 |
457 |
◊ |
[ZN]C:900 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.022 |
73 |
|
[C5P]E:901 |
1 |
1 |
459 |
◊ |
[ZN]E:900 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.022 |
74 |
|
[C5P]A:901 |
3 |
1 |
447 |
◊ |
[ZN]A:900 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.022 |
75 |
|
[C5P]F:901 |
1 |
1 |
446 |
◊ |
[ZN]F:900 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
76 |
|
[C5P]D:901 |
1 |
1 |
462 |
◊ |
[ZN]D:900 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
3.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.022 |
31 |
77 |
|
A |
1 |
1 |
7687 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
7854 |
5.4 |
0.1 |
0.544 |
0 |
0 |
0 |
0.000 |
32 |
78 |
|
[ZN]C:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7687 |
1.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
79 |
|
[ZN]E:900 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7731 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
0.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|