## |
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 |
207 |
59 |
31623 |
◊ |
A |
x,y,z |
1_555 |
207 |
59 |
31820 |
1915.1 |
-14.0 |
0.160 |
22 |
4 |
0 |
1.000 |
2 |
2 |
|
D |
106 |
10 |
2573 |
◊ |
B |
x,y,z |
1_555 |
120 |
35 |
31623 |
961.1 |
-12.8 |
0.397 |
13 |
0 |
0 |
1.000 |
3 |
|
C |
104 |
9 |
2562 |
◊ |
A |
x,y,z |
1_555 |
119 |
35 |
31820 |
933.3 |
-12.1 |
0.345 |
13 |
0 |
0 |
1.000 |
Average: |
947.2 |
-12.5 |
0.371 |
13 |
0 |
0 |
1.000 |
3 |
4 |
|
A |
74 |
20 |
31820 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
69 |
20 |
31820 |
612.3 |
-4.4 |
0.200 |
6 |
0 |
0 |
0.000 |
4 |
5 |
|
E |
50 |
4 |
1246 |
◊ |
A |
x,y,z |
1_555 |
70 |
19 |
31820 |
451.2 |
-0.9 |
0.546 |
7 |
0 |
0 |
0.218 |
6 |
|
F |
47 |
4 |
1250 |
◊ |
B |
x,y,z |
1_555 |
62 |
18 |
31623 |
429.1 |
-1.4 |
0.487 |
7 |
0 |
0 |
0.218 |
Average: |
440.1 |
-1.1 |
0.517 |
7 |
0 |
0 |
0.218 |
5 |
7 |
|
A |
39 |
13 |
31820 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
39 |
14 |
31623 |
395.1 |
-2.6 |
0.249 |
1 |
1 |
0 |
0.000 |
6 |
8 |
|
A |
35 |
10 |
31820 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
36 |
13 |
31623 |
326.9 |
2.1 |
0.760 |
3 |
2 |
0 |
0.000 |
7 |
9 |
|
F |
26 |
3 |
1250 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
31820 |
273.0 |
-2.1 |
0.449 |
5 |
0 |
0 |
0.855 |
10 |
|
E |
27 |
3 |
1246 |
◊ |
B |
x,y,z |
1_555 |
42 |
13 |
31623 |
270.1 |
-2.5 |
0.396 |
5 |
0 |
0 |
0.855 |
Average: |
271.6 |
-2.3 |
0.423 |
5 |
0 |
0 |
0.855 |
8 |
11 |
|
C |
31 |
7 |
2562 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
31623 |
269.4 |
-5.3 |
0.444 |
3 |
0 |
0 |
0.187 |
12 |
|
D |
30 |
7 |
2573 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
31820 |
267.7 |
-4.8 |
0.467 |
3 |
0 |
0 |
0.187 |
Average: |
268.6 |
-5.1 |
0.455 |
3 |
0 |
0 |
0.187 |
9 |
13 |
|
B |
32 |
9 |
31623 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
14 |
31820 |
268.1 |
-1.0 |
0.441 |
1 |
2 |
0 |
0.000 |
10 |
14 |
|
A |
28 |
7 |
31820 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
24 |
3 |
2562 |
235.3 |
0.2 |
0.541 |
4 |
0 |
0 |
0.000 |
11 |
15 |
|
[NAG]A:914 |
13 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
21 |
12 |
31820 |
165.1 |
5.2 |
0.479 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]B:911 |
13 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
21 |
12 |
31623 |
162.8 |
4.7 |
0.465 |
3 |
0 |
0 |
0.000 |
Average: |
163.9 |
5.0 |
0.472 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
[NAG]A:901 |
14 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
21 |
10 |
31820 |
161.8 |
4.4 |
0.382 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[NAG]B:901 |
11 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
20 |
10 |
31623 |
160.6 |
4.2 |
0.474 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[NAG]A:908 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
23 |
6 |
31820 |
154.2 |
5.2 |
0.562 |
4 |
0 |
0 |
0.000 |
15 |
20 |
|
[NAG]B:905 |
11 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
20 |
6 |
31623 |
142.9 |
5.1 |
0.528 |
3 |
0 |
0 |
0.000 |
16 |
21 |
|
E |
15 |
2 |
1246 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
16 |
4 |
31623 |
142.8 |
-0.2 |
0.444 |
2 |
0 |
0 |
0.000 |
17 |
22 |
|
[NAG]A:905 |
10 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
16 |
7 |
31820 |
130.8 |
3.7 |
0.462 |
1 |
0 |
0 |
0.000 |
23 |
|
[NAG]B:903 |
10 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
14 |
7 |
31623 |
125.1 |
3.8 |
0.487 |
1 |
0 |
0 |
0.000 |
Average: |
128.0 |
3.7 |
0.475 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[NAG]A:910 |
10 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
18 |
8 |
31820 |
120.8 |
3.0 |
0.407 |
1 |
0 |
0 |
0.000 |
25 |
|
[NAG]B:907 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
16 |
8 |
31623 |
118.4 |
3.1 |
0.424 |
1 |
0 |
0 |
0.000 |
Average: |
119.6 |
3.1 |
0.415 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[NAG]B:902 |
10 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
15 |
6 |
31623 |
115.7 |
2.2 |
0.305 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[NAG]A:904 |
10 |
1 |
367 |
cf |
A |
x,y,z |
1_555 |
17 |
7 |
31820 |
110.5 |
2.4 |
0.325 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[NAG]A:912 |
10 |
1 |
368 |
cf |
A |
x,y,z |
1_555 |
13 |
5 |
31820 |
99.8 |
2.4 |
0.326 |
1 |
0 |
0 |
0.000 |
22 |
29 |
|
[NAG]B:909 |
10 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
9 |
4 |
31623 |
95.5 |
2.5 |
0.360 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[SO4]A:917 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
31820 |
94.9 |
-14.8 |
0.382 |
3 |
0 |
0 |
0.716 |
24 |
31 |
|
[SO4]A:918 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
31820 |
92.6 |
-12.1 |
0.896 |
5 |
0 |
0 |
0.634 |
25 |
32 |
|
[SO4]A:916 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
31820 |
90.2 |
-11.9 |
0.732 |
3 |
0 |
0 |
0.589 |
26 |
33 |
|
[NAG]B:909 |
9 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
14 |
3 |
2562 |
85.7 |
2.1 |
0.402 |
2 |
0 |
0 |
0.000 |
27 |
34 |
|
[NAG]A:912 |
9 |
1 |
368 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
2573 |
82.0 |
2.1 |
0.380 |
2 |
0 |
0 |
0.000 |
28 |
35 |
|
[SO4]B:913 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
31623 |
81.6 |
-12.5 |
0.435 |
4 |
0 |
0 |
1.000 |
29 |
36 |
|
[NAG]B:906 |
10 |
1 |
366 |
cf |
[NAG]B:905 |
x,y,z |
1_555 |
6 |
1 |
364 |
77.9 |
1.9 |
0.082 |
1 |
0 |
0 |
0.000 |
30 |
37 |
|
[NAG]B:912 |
9 |
1 |
360 |
cf |
[NAG]B:911 |
x,y,z |
1_555 |
6 |
1 |
359 |
72.4 |
1.8 |
0.100 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAG]A:915 |
9 |
1 |
363 |
cf |
[NAG]A:914 |
x,y,z |
1_555 |
6 |
1 |
359 |
72.4 |
2.0 |
0.099 |
0 |
0 |
0 |
0.000 |
Average: |
72.4 |
1.9 |
0.099 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[NAG]B:910 |
8 |
1 |
364 |
cf |
[NAG]B:909 |
x,y,z |
1_555 |
6 |
1 |
362 |
71.9 |
1.8 |
0.118 |
0 |
0 |
0 |
0.000 |
40 |
|
[NAG]A:913 |
8 |
1 |
367 |
cf |
[NAG]A:912 |
x,y,z |
1_555 |
6 |
1 |
368 |
70.7 |
1.7 |
0.098 |
1 |
0 |
0 |
0.000 |
41 |
|
[NAG]B:904 |
9 |
1 |
368 |
cf |
[NAG]B:903 |
x,y,z |
1_555 |
6 |
1 |
363 |
68.0 |
1.5 |
0.102 |
0 |
0 |
0 |
0.000 |
Average: |
70.2 |
1.7 |
0.106 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[NAG]A:908 |
7 |
1 |
361 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
31623 |
71.8 |
1.3 |
0.296 |
1 |
0 |
0 |
0.000 |
33 |
43 |
|
[NAG]A:909 |
4 |
1 |
365 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
9 |
5 |
31623 |
71.1 |
1.3 |
0.352 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[NAG]B:908 |
9 |
1 |
367 |
cf |
[NAG]B:907 |
x,y,z |
1_555 |
6 |
1 |
361 |
70.9 |
2.0 |
0.124 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[NAG]A:902 |
8 |
1 |
364 |
cf |
[NAG]A:901 |
x,y,z |
1_555 |
6 |
1 |
355 |
68.1 |
1.6 |
0.116 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[NAG]A:906 |
8 |
1 |
366 |
cf |
[NAG]A:905 |
x,y,z |
1_555 |
7 |
1 |
365 |
68.1 |
1.2 |
0.082 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[SO4]A:916 |
4 |
1 |
184 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
4 |
31623 |
68.0 |
-8.8 |
0.789 |
2 |
0 |
0 |
0.000 |
38 |
48 |
|
[NAG]A:909 |
8 |
1 |
365 |
cf |
[NAG]A:908 |
x,y,z |
1_555 |
6 |
1 |
361 |
66.0 |
1.6 |
0.101 |
0 |
0 |
0 |
0.000 |
39 |
49 |
|
[NAG]A:911 |
8 |
1 |
366 |
cf |
[NAG]A:910 |
x,y,z |
1_555 |
6 |
1 |
363 |
63.1 |
1.0 |
0.078 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
[SO4]A:919 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
31820 |
62.1 |
-8.2 |
0.863 |
2 |
0 |
0 |
0.403 |
41 |
51 |
|
[NAG]A:906 |
3 |
1 |
366 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
9 |
4 |
31623 |
59.0 |
1.7 |
0.629 |
1 |
0 |
0 |
0.000 |
42 |
52 |
|
[BMA]A:903 |
6 |
1 |
295 |
cf |
[NAG]A:902 |
x,y,z |
1_555 |
5 |
1 |
364 |
55.3 |
1.2 |
0.134 |
0 |
0 |
0 |
0.000 |
43 |
53 |
|
[BMA]A:907 |
5 |
1 |
296 |
cf |
[NAG]A:906 |
x,y,z |
1_555 |
4 |
1 |
366 |
54.5 |
0.8 |
0.139 |
0 |
0 |
0 |
0.000 |
44 |
54 |
|
[NAG]A:902 |
4 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
31820 |
47.6 |
1.0 |
0.396 |
0 |
0 |
0 |
0.000 |
45 |
55 |
|
[NAG]A:915 |
3 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
31820 |
45.6 |
0.8 |
0.401 |
1 |
0 |
0 |
0.000 |
46 |
56 |
|
[NAG]B:912 |
3 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
31623 |
43.1 |
0.7 |
0.411 |
1 |
0 |
0 |
0.000 |
47 |
57 |
|
B |
4 |
1 |
31623 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
31623 |
41.4 |
0.1 |
0.490 |
1 |
0 |
0 |
0.000 |
48 |
58 |
|
[NAG]A:910 |
3 |
1 |
363 |
◊ |
F |
x,y,z |
1_555 |
9 |
1 |
1250 |
37.6 |
0.8 |
0.514 |
1 |
0 |
0 |
0.000 |
49 |
59 |
|
[NAG]B:907 |
3 |
1 |
361 |
◊ |
E |
x,y,z |
1_555 |
8 |
1 |
1246 |
35.6 |
0.8 |
0.509 |
0 |
0 |
0 |
0.000 |
50 |
60 |
|
E |
6 |
1 |
1246 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
2573 |
33.3 |
-0.4 |
0.503 |
0 |
0 |
0 |
0.000 |
51 |
61 |
|
[NAG]B:909 |
1 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
31820 |
29.1 |
0.7 |
0.382 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
[NAG]B:908 |
3 |
1 |
367 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
31820 |
25.6 |
1.2 |
0.482 |
1 |
0 |
0 |
0.000 |
53 |
63 |
|
A |
2 |
1 |
31820 |
◊ |
[BMA]A:903 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
295 |
23.3 |
0.2 |
0.364 |
0 |
0 |
0 |
0.000 |
54 |
64 |
|
[NAG]B:908 |
1 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
6 |
1 |
31623 |
20.6 |
0.6 |
0.646 |
0 |
0 |
0 |
0.000 |
55 |
65 |
|
[NAG]A:912 |
1 |
1 |
368 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
31623 |
18.8 |
0.3 |
0.474 |
0 |
0 |
0 |
0.000 |
56 |
66 |
|
[NAG]B:910 |
4 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
2562 |
11.2 |
0.5 |
0.308 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
[NAG]A:913 |
2 |
1 |
367 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
2573 |
10.4 |
0.3 |
0.369 |
0 |
0 |
0 |
0.000 |
58 |
68 |
|
A |
4 |
3 |
31820 |
◊ |
[NAG]A:902 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
364 |
10.3 |
0.4 |
0.380 |
0 |
0 |
0 |
0.000 |
59 |
69 |
|
[NAG]A:906 |
1 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
31820 |
9.7 |
0.5 |
0.518 |
0 |
0 |
0 |
0.000 |
60 |
70 |
|
[NAG]A:911 |
1 |
1 |
366 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
31623 |
8.0 |
0.2 |
0.465 |
0 |
0 |
0 |
0.000 |
61 |
71 |
|
[NAG]A:909 |
1 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
31820 |
7.0 |
0.3 |
0.482 |
0 |
0 |
0 |
0.000 |
62 |
72 |
|
[NAG]B:906 |
1 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
31623 |
4.4 |
0.2 |
0.470 |
0 |
0 |
0 |
0.000 |
63 |
73 |
|
A |
1 |
1 |
31820 |
◊ |
[NAG]A:901 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
355 |
3.3 |
0.2 |
0.550 |
0 |
0 |
0 |
0.000 |
64 |
74 |
|
[NAG]A:911 |
1 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
31820 |
3.0 |
0.0 |
0.317 |
0 |
0 |
0 |
0.000 |
65 |
75 |
|
[NAG]B:907 |
2 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
31820 |
2.7 |
0.2 |
0.410 |
0 |
0 |
0 |
0.000 |
76 |
|
[NAG]A:910 |
1 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
31623 |
0.6 |
0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
Average: |
1.7 |
0.1 |
0.356 |
0 |
0 |
0 |
0.000 |
66 |
77 |
|
[NAG]A:905 |
1 |
1 |
365 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
31623 |
2.1 |
-0.0 |
0.322 |
0 |
0 |
0 |
0.000 |
67 |
78 |
|
[NAG]A:913 |
2 |
1 |
367 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
31623 |
2.0 |
0.1 |
0.407 |
0 |
0 |
0 |
0.000 |
|