| ## |
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 |
62 |
22 |
11384 |
◊ |
A |
x-1,y,z |
1_455 |
66 |
21 |
11306 |
602.1 |
1.6 |
0.700 |
7 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
76 |
25 |
11384 |
◊ |
A |
x,y,z |
1_555 |
77 |
24 |
11306 |
593.6 |
-1.4 |
0.446 |
11 |
0 |
0 |
0.054 |
| 3 |
3 |
|
B |
53 |
17 |
11384 |
◊ |
A |
-y+1,x,z+1/4 |
3_655 |
44 |
15 |
11306 |
453.5 |
2.1 |
0.700 |
6 |
11 |
0 |
0.000 |
| 4 |
4 |
|
A |
39 |
10 |
11306 |
x |
A |
-y+1,x,z+1/4 |
3_655 |
47 |
16 |
11306 |
383.6 |
-2.1 |
0.378 |
5 |
1 |
0 |
0.000 |
| 5 |
5 |
|
I |
16 |
3 |
459 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
11306 |
217.7 |
-1.1 |
0.426 |
11 |
0 |
0 |
0.099 |
6 |
|
J |
16 |
3 |
458 |
◊ |
B |
x,y,z |
1_555 |
37 |
14 |
11384 |
213.5 |
-0.6 |
0.532 |
11 |
0 |
0 |
0.099 |
| Average: |
215.6 |
-0.9 |
0.479 |
11 |
0 |
0 |
0.099 |
| 6 |
7 |
|
[NAG]A:310 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
24 |
7 |
11306 |
179.2 |
4.7 |
0.485 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[NAG]B:310 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
25 |
7 |
11384 |
175.4 |
4.3 |
0.484 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[NAG]A:311 |
12 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
23 |
8 |
11306 |
151.0 |
4.5 |
0.400 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[NAG]B:311 |
14 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
20 |
8 |
11384 |
149.3 |
3.8 |
0.299 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[PHQ]J:300 |
10 |
1 |
300 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11384 |
138.4 |
4.1 |
0.063 |
0 |
0 |
0 |
0.000 |
12 |
|
[PHQ]I:300 |
10 |
1 |
303 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
11306 |
128.1 |
3.4 |
0.053 |
0 |
0 |
0 |
0.000 |
| Average: |
133.3 |
3.7 |
0.058 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
J |
9 |
3 |
458 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
11306 |
106.0 |
-0.3 |
0.528 |
2 |
0 |
0 |
0.029 |
14 |
|
I |
10 |
3 |
459 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
11384 |
103.7 |
-0.8 |
0.479 |
3 |
0 |
0 |
0.029 |
| Average: |
104.9 |
-0.6 |
0.504 |
3 |
0 |
0 |
0.029 |
| 12 |
15 |
|
B |
12 |
5 |
11384 |
x |
B |
-y+1,x,z+1/4 |
3_655 |
16 |
4 |
11384 |
102.8 |
1.2 |
0.731 |
1 |
1 |
0 |
0.000 |
| 13 |
16 |
|
[NAG]A:312 |
9 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
11306 |
101.3 |
2.6 |
0.395 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[NAG]B:312 |
9 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
11 |
4 |
11384 |
97.9 |
2.2 |
0.343 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
B |
15 |
7 |
11384 |
f |
[SO4]A:320 |
x-1,y,z |
1_455 |
5 |
1 |
187 |
94.8 |
-12.1 |
0.832 |
3 |
0 |
0 |
0.116 |
| 16 |
19 |
|
[SO4]B:320 |
5 |
1 |
188 |
f |
A |
x-1,y,z |
1_455 |
19 |
8 |
11306 |
92.1 |
-13.0 |
0.748 |
2 |
0 |
0 |
0.119 |
| 17 |
20 |
|
[HG]B:325 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
11384 |
76.1 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.400 |
21 |
|
[HG]A:325 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11306 |
68.5 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.400 |
| Average: |
72.3 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.400 |
| 18 |
22 |
|
[NAG]B:312 |
6 |
1 |
362 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
3 |
11306 |
71.9 |
1.4 |
0.368 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
9 |
3 |
11384 |
◊ |
[NAG]A:312 |
x-1,y,z |
1_455 |
6 |
1 |
361 |
59.7 |
0.8 |
0.327 |
0 |
0 |
0 |
0.000 |
| Average: |
65.8 |
1.1 |
0.347 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
A |
9 |
4 |
11306 |
◊ |
[PHQ]I:300 |
-y+1,x,z+1/4 |
3_655 |
6 |
1 |
303 |
62.8 |
2.1 |
0.061 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[HG]B:326 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
11306 |
60.7 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.236 |
26 |
|
[HG]A:326 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
11384 |
55.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.236 |
| Average: |
57.9 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.236 |
| 21 |
27 |
|
[HG]A:326 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11306 |
58.0 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.231 |
28 |
|
[HG]B:326 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11384 |
52.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.231 |
| Average: |
55.5 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.231 |
| 22 |
29 |
|
[PHQ]I:300 |
7 |
1 |
303 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
11384 |
55.3 |
1.0 |
0.007 |
1 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[PHQ]J:300 |
7 |
1 |
300 |
◊ |
A |
x,y,z |
1_555 |
8 |
1 |
11306 |
55.1 |
1.5 |
0.009 |
1 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[PHQ]J:300 |
4 |
1 |
300 |
cf |
J |
x,y,z |
1_555 |
5 |
2 |
458 |
49.9 |
2.0 |
0.194 |
0 |
0 |
0 |
0.000 |
32 |
|
[PHQ]I:300 |
5 |
1 |
303 |
cf |
I |
x,y,z |
1_555 |
5 |
2 |
459 |
46.7 |
1.7 |
0.087 |
0 |
0 |
0 |
0.000 |
| Average: |
48.3 |
1.9 |
0.141 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
A |
6 |
4 |
11306 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
5 |
3 |
11384 |
45.1 |
0.8 |
0.771 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[SO4]B:320 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11384 |
43.4 |
-3.5 |
0.975 |
1 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[SO4]A:320 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11306 |
43.1 |
-3.4 |
0.975 |
2 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[0QE]J:304 |
1 |
1 |
129 |
c |
B |
x,y,z |
1_555 |
12 |
6 |
11384 |
38.7 |
2.0 |
0.737 |
0 |
0 |
0 |
0.000 |
37 |
|
[0QE]I:304 |
1 |
1 |
129 |
c |
A |
x,y,z |
1_555 |
10 |
5 |
11306 |
38.4 |
1.5 |
0.511 |
0 |
0 |
0 |
0.000 |
| Average: |
38.5 |
1.8 |
0.624 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[0QE]J:304 |
1 |
1 |
129 |
cf |
J |
x,y,z |
1_555 |
5 |
2 |
458 |
37.8 |
1.1 |
0.652 |
0 |
0 |
0 |
0.000 |
39 |
|
[0QE]I:304 |
1 |
1 |
129 |
cf |
I |
x,y,z |
1_555 |
6 |
2 |
459 |
37.3 |
1.0 |
0.645 |
0 |
0 |
0 |
0.000 |
| Average: |
37.6 |
1.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
[SO4]B:320 |
4 |
1 |
188 |
f |
[NAG]A:312 |
x-1,y,z |
1_455 |
4 |
1 |
361 |
35.4 |
-3.3 |
0.398 |
1 |
0 |
0 |
0.033 |
| 31 |
41 |
|
[NAG]B:312 |
6 |
1 |
362 |
f |
[SO4]A:320 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
34.8 |
-3.8 |
0.253 |
1 |
0 |
0 |
0.036 |
| 32 |
42 |
|
[0QE]I:304 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
11384 |
26.8 |
1.2 |
0.817 |
0 |
0 |
0 |
0.000 |
43 |
|
[0QE]J:304 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11306 |
25.0 |
1.1 |
0.830 |
0 |
0 |
0 |
0.000 |
| Average: |
25.9 |
1.1 |
0.824 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
A |
6 |
2 |
11306 |
◊ |
[HG]A:325 |
-y+1,x,z+1/4 |
3_655 |
1 |
1 |
137 |
21.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
45 |
|
B |
2 |
1 |
11384 |
◊ |
J |
-y+1,x,z+1/4 |
3_655 |
3 |
1 |
458 |
6.3 |
0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
| 35 |
46 |
|
B |
1 |
1 |
11384 |
◊ |
[PHQ]J:300 |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
300 |
5.3 |
0.2 |
0.150 |
0 |
0 |
0 |
0.000 |
| 36 |
47 |
|
A |
1 |
1 |
11306 |
◊ |
[NAG]A:312 |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
361 |
4.7 |
0.3 |
0.420 |
0 |
0 |
0 |
0.000 |
| 37 |
48 |
|
B |
1 |
1 |
11384 |
◊ |
[NAG]A:310 |
-y+1,x,z+1/4 |
3_655 |
3 |
1 |
362 |
4.2 |
0.3 |
0.374 |
0 |
0 |
0 |
0.000 |
|