| ## |
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 |
91 |
29 |
13076 |
◊ |
A |
x,y,z |
1_555 |
94 |
28 |
13361 |
961.9 |
-27.0 |
0.035 |
2 |
0 |
0 |
0.391 |
| 2 |
2 |
|
B |
49 |
14 |
13076 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
50 |
14 |
13361 |
524.7 |
-15.1 |
0.067 |
0 |
0 |
0 |
0.169 |
| 3 |
3 |
|
B |
33 |
10 |
13076 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
35 |
11 |
13361 |
274.1 |
-1.1 |
0.890 |
1 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
30 |
9 |
13076 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
30 |
9 |
13076 |
267.7 |
-7.2 |
0.277 |
0 |
0 |
0 |
0.080 |
5 |
|
A |
30 |
9 |
13361 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
30 |
9 |
13361 |
264.8 |
-7.0 |
0.306 |
0 |
0 |
0 |
0.080 |
| Average: |
266.2 |
-7.1 |
0.292 |
0 |
0 |
0 |
0.080 |
| 5 |
6 |
|
[LDA]B:603 |
15 |
1 |
509 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
13076 |
243.4 |
2.0 |
0.476 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[LDA]A:605 |
14 |
1 |
508 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
13361 |
243.1 |
4.4 |
0.670 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[LDA]B:606 |
15 |
1 |
510 |
◊ |
B |
x,y,z |
1_555 |
38 |
9 |
13076 |
242.8 |
1.5 |
0.445 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[LDA]B:605 |
14 |
1 |
510 |
f |
B |
x,y,z |
1_555 |
31 |
10 |
13076 |
242.3 |
1.6 |
0.456 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[LDA]A:606 |
15 |
1 |
509 |
◊ |
A |
x,y,z |
1_555 |
41 |
10 |
13361 |
236.7 |
2.4 |
0.530 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[LDA]A:603 |
14 |
1 |
512 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
13361 |
234.7 |
1.9 |
0.523 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[LDA]B:608 |
15 |
1 |
507 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
13076 |
234.0 |
2.4 |
0.403 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[LDA]B:602 |
14 |
1 |
512 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
13076 |
214.1 |
1.3 |
0.417 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[LDA]A:604 |
13 |
1 |
511 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
13076 |
191.7 |
1.3 |
0.440 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[LDA]A:602 |
12 |
1 |
508 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
13361 |
170.5 |
2.0 |
0.501 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[LDA]A:607 |
10 |
1 |
507 |
f |
A |
x,y,z |
1_555 |
28 |
7 |
13361 |
164.8 |
0.2 |
0.438 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[LDA]B:610 |
11 |
1 |
511 |
f |
B |
x,y,z |
1_555 |
21 |
5 |
13076 |
153.6 |
1.4 |
0.452 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[LDA]A:601 |
12 |
1 |
506 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
13361 |
145.8 |
1.1 |
0.379 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
B |
17 |
5 |
13076 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
16 |
6 |
13361 |
137.1 |
-0.5 |
0.826 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[LDA]A:604 |
12 |
1 |
511 |
f |
A |
x,y,z |
1_555 |
20 |
3 |
13361 |
133.1 |
2.1 |
0.465 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[LDA]B:601 |
11 |
1 |
512 |
◊ |
B |
x,y,z |
1_555 |
19 |
4 |
13076 |
126.1 |
1.7 |
0.456 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[LDA]A:602 |
7 |
1 |
508 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
13076 |
121.4 |
-1.1 |
0.270 |
0 |
0 |
0 |
0.015 |
| 22 |
23 |
|
[LDA]A:601 |
7 |
1 |
506 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
13076 |
116.1 |
0.2 |
0.402 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[LDA]B:609 |
10 |
1 |
506 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13076 |
111.5 |
0.4 |
0.346 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[LDA]B:606 |
8 |
1 |
510 |
f |
A |
-x+1,y,-z+1 |
2_656 |
8 |
4 |
13361 |
103.8 |
0.2 |
0.226 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[LDA]A:606 |
8 |
1 |
509 |
f |
B |
-x+1,y,-z+1 |
2_656 |
8 |
4 |
13076 |
103.4 |
-0.2 |
0.208 |
0 |
0 |
0 |
0.003 |
| 26 |
27 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
13361 |
101.3 |
-17.7 |
0.807 |
8 |
0 |
0 |
0.299 |
| 27 |
28 |
|
[LDA]B:602 |
9 |
1 |
512 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
13361 |
90.8 |
0.6 |
0.340 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[LDA]B:609 |
10 |
1 |
506 |
f |
[LDA]B:608 |
x,y,z |
1_555 |
10 |
1 |
507 |
82.1 |
4.0 |
0.260 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[LDA]B:603 |
8 |
1 |
509 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
6 |
2 |
13076 |
65.8 |
0.8 |
0.256 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13076 |
64.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.246 |
32 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13361 |
63.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.246 |
| Average: |
63.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.246 |
| 31 |
33 |
|
[LDA]A:603 |
8 |
1 |
512 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
6 |
2 |
13361 |
63.3 |
0.2 |
0.235 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[LDA]B:601 |
3 |
1 |
512 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13361 |
61.4 |
-1.7 |
0.256 |
0 |
0 |
0 |
0.023 |
| 33 |
35 |
|
[CL]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13076 |
60.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.264 |
36 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
13361 |
56.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.264 |
| Average: |
58.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.264 |
| 34 |
37 |
|
[LDA]B:603 |
7 |
1 |
509 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
13361 |
53.9 |
0.1 |
0.246 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[LDA]B:605 |
5 |
1 |
510 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
13361 |
51.0 |
-0.9 |
0.245 |
0 |
0 |
0 |
0.012 |
| 36 |
39 |
|
[LDA]A:603 |
6 |
1 |
512 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
13076 |
49.9 |
-0.2 |
0.224 |
0 |
0 |
0 |
0.003 |
| 37 |
40 |
|
[LDA]B:603 |
3 |
1 |
509 |
f |
[LDA]A:604 |
x,y,z |
1_555 |
2 |
1 |
511 |
37.4 |
-1.0 |
0.130 |
0 |
0 |
0 |
0.013 |
| 38 |
41 |
|
[LDA]A:605 |
6 |
1 |
508 |
f |
[CL]A:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.034 |
| 39 |
42 |
|
[LDA]B:605 |
3 |
1 |
510 |
f |
[CL]B:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.027 |
| 40 |
43 |
|
[LDA]B:608 |
1 |
1 |
507 |
f |
A |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
13361 |
21.6 |
-0.2 |
0.471 |
0 |
0 |
0 |
0.003 |
| 41 |
44 |
|
[LDA]B:609 |
3 |
1 |
506 |
f |
[LDA]A:601 |
x,y,z |
1_555 |
1 |
1 |
506 |
17.3 |
-0.5 |
0.220 |
0 |
0 |
0 |
0.006 |
| 42 |
45 |
|
[LDA]B:608 |
1 |
1 |
507 |
f |
[LDA]A:601 |
x,y,z |
1_555 |
2 |
1 |
506 |
17.2 |
-0.3 |
0.280 |
0 |
0 |
0 |
0.005 |
| 43 |
46 |
|
B |
1 |
1 |
13076 |
◊ |
[CL]A:402 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
125 |
6.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[LDA]B:610 |
2 |
1 |
511 |
f |
[LDA]B:605 |
x,y,z |
1_555 |
1 |
1 |
510 |
2.9 |
0.1 |
0.312 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
[LDA]B:610 |
1 |
1 |
511 |
f |
[CL]B:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|