## |
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 |
237 |
58 |
13771 |
◊ |
B |
x,y,z |
1_555 |
243 |
59 |
13886 |
2082.4 |
-18.7 |
0.312 |
29 |
12 |
0 |
0.957 |
2 |
|
C |
243 |
60 |
13975 |
◊ |
A |
x,y,z |
1_555 |
238 |
58 |
13751 |
2053.4 |
-17.5 |
0.349 |
29 |
12 |
0 |
0.957 |
Average: |
2067.9 |
-18.1 |
0.331 |
29 |
12 |
0 |
0.957 |
2 |
3 |
|
D |
96 |
25 |
13771 |
◊ |
A |
x,y,z-1 |
1_554 |
97 |
25 |
13751 |
867.5 |
-1.2 |
0.806 |
17 |
5 |
0 |
0.000 |
3 |
4 |
|
C |
69 |
19 |
13975 |
◊ |
B |
x,y,z |
1_555 |
68 |
18 |
13886 |
598.3 |
-6.0 |
0.350 |
3 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
47 |
16 |
13751 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
17 |
13751 |
388.9 |
-0.7 |
0.712 |
5 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
33 |
9 |
13886 |
◊ |
D |
x,y-1,z |
1_545 |
35 |
14 |
13771 |
304.9 |
-2.2 |
0.484 |
5 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
32 |
11 |
13886 |
x |
B |
-x+2,y-1/2,-z |
2_745 |
26 |
10 |
13886 |
284.4 |
-0.6 |
0.652 |
5 |
4 |
0 |
0.000 |
7 |
8 |
|
A |
21 |
8 |
13751 |
x |
A |
x,y-1,z |
1_545 |
27 |
8 |
13751 |
203.3 |
-1.5 |
0.473 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
[DCD]A:1351 |
7 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
35 |
17 |
13751 |
195.5 |
-2.2 |
0.137 |
2 |
0 |
0 |
0.196 |
10 |
|
[DCD]C:1351 |
7 |
1 |
305 |
f |
C |
x,y,z |
1_555 |
31 |
16 |
13975 |
190.4 |
-2.6 |
0.087 |
2 |
0 |
0 |
0.196 |
Average: |
192.9 |
-2.4 |
0.112 |
2 |
0 |
0 |
0.196 |
9 |
11 |
|
[DCD]D:1351 |
7 |
1 |
303 |
f |
D |
x,y,z |
1_555 |
33 |
16 |
13771 |
193.8 |
-2.0 |
0.149 |
1 |
0 |
0 |
0.132 |
12 |
|
[DCD]B:1351 |
7 |
1 |
305 |
f |
B |
x,y,z |
1_555 |
31 |
16 |
13886 |
192.9 |
-2.0 |
0.151 |
2 |
0 |
0 |
0.132 |
Average: |
193.3 |
-2.0 |
0.150 |
2 |
0 |
0 |
0.132 |
10 |
13 |
|
C |
31 |
10 |
13975 |
x |
C |
x,y-1,z |
1_545 |
17 |
5 |
13975 |
176.5 |
0.2 |
0.713 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
[NAG]D:1357 |
11 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
17 |
7 |
13771 |
126.8 |
2.5 |
0.339 |
1 |
0 |
0 |
0.000 |
15 |
|
[NAG]B:1355 |
11 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
15 |
7 |
13886 |
121.7 |
2.6 |
0.330 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:1356 |
11 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
14 |
7 |
13751 |
120.5 |
2.6 |
0.360 |
1 |
0 |
0 |
0.000 |
Average: |
123.0 |
2.6 |
0.343 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[NAG]D:1353 |
12 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
16 |
3 |
13771 |
126.0 |
4.3 |
0.415 |
1 |
0 |
0 |
0.000 |
18 |
|
[NAG]C:1353 |
11 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
17 |
4 |
13975 |
125.0 |
4.6 |
0.542 |
0 |
0 |
0 |
0.000 |
19 |
|
[NAG]A:1353 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
16 |
3 |
13751 |
124.6 |
4.6 |
0.556 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]B:1353 |
11 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
16 |
3 |
13886 |
121.2 |
4.5 |
0.539 |
0 |
0 |
0 |
0.000 |
Average: |
124.2 |
4.5 |
0.513 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[NAG]C:1356 |
11 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
16 |
7 |
13975 |
125.7 |
2.7 |
0.351 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[NAG]A:1355 |
9 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
13975 |
115.2 |
3.0 |
0.462 |
2 |
0 |
0 |
0.000 |
23 |
|
[NAG]D:1355 |
10 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13886 |
114.0 |
2.8 |
0.397 |
2 |
0 |
0 |
0.000 |
24 |
|
[NAG]C:1355 |
9 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
13751 |
110.9 |
2.8 |
0.434 |
2 |
0 |
0 |
0.000 |
Average: |
113.4 |
2.9 |
0.431 |
2 |
0 |
0 |
0.000 |
15 |
25 |
|
[NAG]A:1357 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
13751 |
101.0 |
3.0 |
0.417 |
2 |
0 |
0 |
0.000 |
26 |
|
[NAG]D:1356 |
9 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
10 |
4 |
13771 |
98.0 |
3.0 |
0.461 |
2 |
0 |
0 |
0.000 |
Average: |
99.5 |
3.0 |
0.439 |
2 |
0 |
0 |
0.000 |
16 |
27 |
|
[NAG]B:1354 |
8 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
13771 |
98.5 |
1.8 |
0.394 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]A:1354 |
7 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
13975 |
84.2 |
1.3 |
0.365 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]C:1354 |
7 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
13751 |
83.1 |
1.3 |
0.367 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]D:1354 |
8 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
13886 |
80.5 |
1.1 |
0.340 |
0 |
0 |
0 |
0.000 |
Average: |
86.6 |
1.4 |
0.366 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
[NAG]C:1357 |
11 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
10 |
2 |
13975 |
90.2 |
3.4 |
0.350 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]B:1356 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
9 |
2 |
13886 |
87.8 |
3.3 |
0.380 |
0 |
0 |
0 |
0.000 |
Average: |
89.0 |
3.3 |
0.365 |
0 |
0 |
0 |
0.000 |
18 |
33 |
|
[NAG]C:1354 |
9 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
8 |
2 |
13975 |
79.3 |
2.0 |
0.323 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]A:1354 |
9 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
13751 |
78.7 |
2.0 |
0.370 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAG]D:1354 |
9 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
8 |
2 |
13771 |
78.4 |
2.0 |
0.403 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]B:1354 |
8 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
13886 |
76.9 |
2.1 |
0.419 |
0 |
0 |
0 |
0.000 |
Average: |
78.3 |
2.0 |
0.378 |
0 |
0 |
0 |
0.000 |
19 |
37 |
|
[NAG]D:1355 |
9 |
1 |
361 |
cf |
[NAG]D:1354 |
x,y,z |
1_555 |
7 |
1 |
360 |
76.0 |
2.0 |
0.113 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAG]C:1355 |
9 |
1 |
359 |
cf |
[NAG]C:1354 |
x,y,z |
1_555 |
7 |
1 |
359 |
74.1 |
2.0 |
0.093 |
0 |
0 |
0 |
0.000 |
39 |
|
[NAG]A:1355 |
9 |
1 |
359 |
cf |
[NAG]A:1354 |
x,y,z |
1_555 |
7 |
1 |
362 |
72.7 |
1.9 |
0.102 |
0 |
0 |
0 |
0.000 |
Average: |
74.3 |
2.0 |
0.102 |
0 |
0 |
0 |
0.000 |
20 |
40 |
|
[BMA]C:1358 |
7 |
1 |
289 |
cf |
[NAG]C:1355 |
x,y,z |
1_555 |
5 |
1 |
359 |
59.6 |
1.1 |
0.109 |
0 |
0 |
0 |
0.000 |
41 |
|
[BMA]A:1358 |
7 |
1 |
291 |
cf |
[NAG]A:1355 |
x,y,z |
1_555 |
5 |
1 |
359 |
56.3 |
1.1 |
0.102 |
0 |
0 |
0 |
0.000 |
Average: |
58.0 |
1.1 |
0.106 |
0 |
0 |
0 |
0.000 |
21 |
42 |
|
A |
8 |
3 |
13751 |
◊ |
[NAG]D:1353 |
x,y-1,z+1 |
1_546 |
6 |
1 |
362 |
55.8 |
0.2 |
0.196 |
0 |
0 |
0 |
0.000 |
22 |
43 |
|
[NAG]C:1357 |
5 |
1 |
358 |
◊ |
[NAG]B:1356 |
x,y,z |
1_555 |
5 |
1 |
361 |
55.1 |
0.5 |
0.100 |
1 |
0 |
0 |
0.000 |
23 |
44 |
|
D |
9 |
4 |
13771 |
◊ |
[NAG]A:1357 |
x,y,z-1 |
1_554 |
5 |
1 |
362 |
54.3 |
-0.1 |
0.214 |
0 |
0 |
0 |
0.000 |
45 |
|
[NAG]D:1356 |
5 |
1 |
362 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
3 |
13751 |
52.4 |
-0.1 |
0.186 |
0 |
0 |
0 |
0.000 |
Average: |
53.3 |
-0.1 |
0.200 |
0 |
0 |
0 |
0.000 |
24 |
46 |
|
[CU]B:1352 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
13886 |
50.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.573 |
47 |
|
[CU]A:1352 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
13751 |
50.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.573 |
48 |
|
[CU]C:1352 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
13975 |
49.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.573 |
49 |
|
[CU]D:1352 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
13771 |
49.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.573 |
Average: |
50.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.573 |
25 |
50 |
|
B |
6 |
3 |
13886 |
◊ |
[NAG]B:1354 |
-x+2,y-1/2,-z |
2_745 |
4 |
1 |
360 |
47.0 |
1.5 |
0.522 |
0 |
0 |
0 |
0.000 |
26 |
51 |
|
[BMA]A:1358 |
5 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13975 |
43.0 |
0.2 |
0.202 |
0 |
0 |
0 |
0.000 |
52 |
|
[BMA]C:1358 |
5 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
13751 |
37.6 |
0.2 |
0.211 |
0 |
0 |
0 |
0.000 |
Average: |
40.3 |
0.2 |
0.206 |
0 |
0 |
0 |
0.000 |
27 |
53 |
|
B |
8 |
3 |
13886 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
3 |
2 |
13771 |
40.6 |
-0.6 |
0.268 |
0 |
0 |
0 |
0.000 |
28 |
54 |
|
[CU]A:1352 |
1 |
1 |
125 |
f |
[DCD]A:1351 |
x,y,z |
1_555 |
2 |
1 |
305 |
39.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.346 |
55 |
|
[CU]D:1352 |
1 |
1 |
125 |
f |
[DCD]D:1351 |
x,y,z |
1_555 |
3 |
1 |
303 |
39.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.346 |
56 |
|
[CU]C:1352 |
1 |
1 |
125 |
f |
[DCD]C:1351 |
x,y,z |
1_555 |
2 |
1 |
305 |
39.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.346 |
57 |
|
[CU]B:1352 |
1 |
1 |
125 |
f |
[DCD]B:1351 |
x,y,z |
1_555 |
2 |
1 |
305 |
38.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.346 |
Average: |
39.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.346 |
29 |
58 |
|
B |
3 |
2 |
13886 |
◊ |
[NAG]D:1354 |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
360 |
28.8 |
1.2 |
0.741 |
0 |
0 |
0 |
0.000 |
30 |
59 |
|
[NAG]A:1354 |
1 |
1 |
362 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
13751 |
12.7 |
0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
|