## |
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 |
96 |
25 |
11799 |
◊ |
A |
x,-y+1,-z |
2_565 |
89 |
25 |
11730 |
931.8 |
-17.2 |
0.019 |
1 |
3 |
0 |
0.047 |
2 |
|
C |
87 |
24 |
11775 |
◊ |
B |
x,y,z |
1_555 |
89 |
24 |
11598 |
908.9 |
-17.3 |
0.015 |
2 |
4 |
0 |
0.047 |
Average: |
920.4 |
-17.3 |
0.017 |
2 |
4 |
0 |
0.047 |
2 |
3 |
|
A |
55 |
15 |
11730 |
◊ |
A |
x,-y+1,-z |
2_565 |
55 |
15 |
11730 |
536.0 |
-3.0 |
0.566 |
4 |
0 |
0 |
0.000 |
4 |
|
B |
54 |
15 |
11598 |
◊ |
B |
x,-y,-z |
2_555 |
54 |
15 |
11598 |
517.8 |
-2.2 |
0.633 |
4 |
0 |
0 |
0.000 |
Average: |
526.9 |
-2.6 |
0.599 |
4 |
0 |
0 |
0.000 |
3 |
5 |
|
C |
46 |
14 |
11775 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
40 |
9 |
11799 |
396.4 |
0.1 |
0.765 |
4 |
9 |
0 |
0.000 |
4 |
6 |
|
B |
31 |
10 |
11598 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
11730 |
298.0 |
-3.2 |
0.335 |
1 |
1 |
0 |
0.000 |
7 |
|
B |
35 |
10 |
11598 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
10 |
11730 |
288.5 |
-2.9 |
0.448 |
0 |
0 |
0 |
0.000 |
Average: |
293.2 |
-3.1 |
0.391 |
1 |
1 |
0 |
0.000 |
5 |
8 |
|
[GSH]C:306 |
19 |
1 |
516 |
f |
C |
x,y,z |
1_555 |
42 |
14 |
11775 |
296.8 |
-4.5 |
0.599 |
8 |
0 |
0 |
0.038 |
9 |
|
[GSH]D:304 |
19 |
1 |
514 |
f |
D |
x,y,z |
1_555 |
41 |
14 |
11799 |
289.8 |
-4.0 |
0.625 |
6 |
0 |
0 |
0.038 |
10 |
|
[GSH]A:306 |
19 |
1 |
519 |
f |
A |
x,y,z |
1_555 |
42 |
14 |
11730 |
289.7 |
-4.4 |
0.591 |
7 |
0 |
0 |
0.038 |
11 |
|
[GSH]B:304 |
19 |
1 |
519 |
f |
B |
x,y,z |
1_555 |
40 |
14 |
11598 |
288.9 |
-4.0 |
0.624 |
7 |
0 |
0 |
0.038 |
Average: |
291.3 |
-4.2 |
0.610 |
7 |
0 |
0 |
0.038 |
6 |
12 |
|
D |
30 |
11 |
11799 |
x |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
32 |
7 |
11799 |
264.7 |
-2.2 |
0.453 |
1 |
2 |
0 |
0.000 |
7 |
13 |
|
[PEG]A:305 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
11730 |
147.0 |
5.1 |
0.575 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
[K]C:302 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
22 |
12 |
11775 |
131.2 |
-75.1 |
0.000 |
0 |
0 |
0 |
0.399 |
15 |
|
[K]B:302 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
11598 |
125.2 |
-83.4 |
0.000 |
0 |
0 |
0 |
0.399 |
16 |
|
[K]A:301 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
11730 |
111.4 |
-69.3 |
0.000 |
0 |
0 |
0 |
0.399 |
Average: |
122.6 |
-76.0 |
0.000 |
0 |
0 |
0 |
0.399 |
9 |
17 |
|
C |
16 |
6 |
11775 |
x |
C |
-x-2,y-1/2,-z+1/2 |
3_345 |
12 |
4 |
11775 |
130.8 |
-1.2 |
0.413 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
[K]D:302 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
11799 |
129.0 |
-95.6 |
0.000 |
0 |
0 |
0 |
0.247 |
11 |
19 |
|
[EDO]A:304 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
11730 |
116.2 |
3.7 |
0.526 |
4 |
0 |
0 |
0.000 |
12 |
20 |
|
[EDO]C:304 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
11775 |
108.8 |
3.9 |
0.733 |
4 |
0 |
0 |
0.000 |
13 |
21 |
|
[K]C:303 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
11775 |
106.9 |
-66.1 |
0.000 |
0 |
0 |
0 |
0.166 |
14 |
22 |
|
[EDO]D:303 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
22 |
13 |
11799 |
104.2 |
2.0 |
0.334 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
[K]B:301 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11598 |
101.9 |
-68.4 |
0.000 |
0 |
0 |
0 |
0.172 |
16 |
24 |
|
[EDO]C:305 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
11775 |
99.7 |
3.1 |
0.484 |
4 |
0 |
0 |
0.000 |
17 |
25 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
11598 |
94.3 |
3.1 |
0.686 |
1 |
0 |
0 |
0.000 |
18 |
26 |
|
C |
13 |
3 |
11775 |
◊ |
D |
-x-2,y-1/2,-z+1/2 |
3_345 |
7 |
3 |
11799 |
85.2 |
-0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[K]A:303 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
11730 |
84.7 |
-48.0 |
0.000 |
0 |
0 |
0 |
0.124 |
20 |
28 |
|
[K]A:302 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11730 |
84.5 |
-44.8 |
0.000 |
0 |
0 |
0 |
0.116 |
21 |
29 |
|
B |
14 |
4 |
11598 |
◊ |
[K]A:303 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
72.7 |
-42.5 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[IOD]D:301 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
11799 |
70.4 |
-0.6 |
0.616 |
0 |
0 |
0 |
0.002 |
23 |
31 |
|
[IOD]C:301 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
11775 |
58.8 |
1.2 |
0.960 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[IOD]C:301 |
1 |
1 |
144 |
f |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
5 |
11799 |
56.2 |
-0.4 |
0.674 |
0 |
0 |
0 |
0.001 |
25 |
33 |
|
[GSH]A:306 |
7 |
1 |
519 |
f |
[K]A:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
56.0 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.079 |
26 |
34 |
|
[K]A:302 |
1 |
1 |
216 |
f |
[K]A:301 |
x,y,z |
1_555 |
1 |
1 |
216 |
50.2 |
-50.2 |
0.000 |
0 |
0 |
0 |
0.130 |
27 |
35 |
|
C |
9 |
4 |
11775 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
11799 |
46.1 |
-1.0 |
0.375 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[GSH]B:304 |
5 |
1 |
519 |
f |
[K]B:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
46.1 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.112 |
37 |
|
[GSH]C:306 |
5 |
1 |
516 |
f |
[K]C:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.2 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.112 |
38 |
|
[GSH]A:306 |
5 |
1 |
519 |
f |
[K]A:301 |
x,y,z |
1_555 |
1 |
1 |
216 |
40.6 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
43.0 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.112 |
29 |
39 |
|
[K]B:301 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11730 |
44.7 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
B |
x,-y,-z |
2_555 |
4 |
2 |
11598 |
44.3 |
1.3 |
0.938 |
1 |
0 |
0 |
0.000 |
31 |
41 |
|
[EDO]C:305 |
3 |
1 |
186 |
f |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
11799 |
35.9 |
1.4 |
0.967 |
1 |
0 |
0 |
0.000 |
32 |
42 |
|
[IOD]D:301 |
1 |
1 |
144 |
f |
[GSH]D:304 |
x,y,z |
1_555 |
5 |
1 |
514 |
29.7 |
-1.0 |
0.694 |
0 |
0 |
0 |
0.003 |
33 |
43 |
|
[K]C:303 |
1 |
1 |
216 |
f |
[K]C:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
29.4 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.074 |
34 |
44 |
|
[IOD]D:301 |
1 |
1 |
144 |
f |
[EDO]D:303 |
x,y,z |
1_555 |
3 |
1 |
186 |
28.6 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[GSH]D:304 |
2 |
1 |
514 |
f |
[EDO]D:303 |
x,y,z |
1_555 |
3 |
1 |
186 |
19.9 |
-0.4 |
0.557 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[GSH]C:306 |
1 |
1 |
516 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11598 |
16.1 |
0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
47 |
|
[GSH]B:304 |
1 |
1 |
519 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11775 |
15.0 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
48 |
|
[GSH]D:304 |
1 |
1 |
514 |
◊ |
A |
x,-y+1,-z |
2_565 |
3 |
1 |
11730 |
13.8 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
49 |
|
[GSH]A:306 |
1 |
1 |
519 |
◊ |
D |
x,-y+1,-z |
2_565 |
3 |
1 |
11799 |
13.2 |
-0.1 |
0.515 |
0 |
0 |
0 |
0.000 |
Average: |
14.5 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
B |
2 |
1 |
11598 |
◊ |
A |
x-1,-y+1,-z |
2_465 |
1 |
1 |
11730 |
15.8 |
-0.5 |
0.210 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
[PEG]A:305 |
2 |
1 |
255 |
f |
A |
x,-y+1,-z |
2_565 |
1 |
1 |
11730 |
7.8 |
0.2 |
0.324 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
B |
1 |
1 |
11598 |
◊ |
B |
x,-y+1,-z |
2_565 |
1 |
1 |
11598 |
3.2 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
|