## |
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 |
79 |
24 |
11326 |
◊ |
A |
x,y,z |
1_555 |
78 |
22 |
11240 |
681.6 |
0.2 |
0.816 |
5 |
2 |
0 |
0.051 |
2 |
|
D |
76 |
23 |
11585 |
◊ |
C |
x,y,z |
1_555 |
77 |
24 |
11559 |
652.7 |
-0.5 |
0.800 |
7 |
2 |
0 |
0.051 |
Average: |
667.1 |
-0.1 |
0.808 |
6 |
2 |
0 |
0.051 |
2 |
3 |
|
E |
49 |
17 |
11479 |
◊ |
A |
x-1,y,z+1 |
1_456 |
52 |
14 |
11240 |
478.9 |
-5.3 |
0.299 |
5 |
1 |
0 |
0.000 |
3 |
4 |
|
F |
45 |
16 |
11437 |
◊ |
E |
x,y,z |
1_555 |
44 |
15 |
11479 |
396.5 |
-0.3 |
0.743 |
2 |
3 |
0 |
0.022 |
4 |
5 |
|
E |
34 |
11 |
11479 |
◊ |
C |
x,y,z |
1_555 |
33 |
13 |
11559 |
346.2 |
-4.1 |
0.303 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
E |
36 |
15 |
11479 |
◊ |
D |
x,y-1,z |
1_545 |
41 |
13 |
11585 |
315.2 |
-4.1 |
0.309 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
C |
36 |
12 |
11559 |
◊ |
B |
x,y-1,z |
1_545 |
37 |
13 |
11326 |
313.3 |
-2.3 |
0.500 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
F |
29 |
11 |
11437 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
9 |
11585 |
300.9 |
-3.7 |
0.299 |
5 |
0 |
0 |
0.000 |
9 |
|
D |
28 |
11 |
11585 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
8 |
11326 |
267.5 |
-2.0 |
0.465 |
3 |
0 |
0 |
0.000 |
Average: |
284.2 |
-2.8 |
0.382 |
4 |
0 |
0 |
0.000 |
8 |
10 |
|
F |
32 |
11 |
11437 |
x |
F |
x-1,y,z |
1_455 |
35 |
12 |
11437 |
280.9 |
-0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
11 |
|
E |
33 |
10 |
11479 |
x |
E |
x-1,y,z |
1_455 |
28 |
9 |
11479 |
262.9 |
0.6 |
0.732 |
2 |
2 |
0 |
0.000 |
Average: |
271.9 |
0.2 |
0.676 |
1 |
1 |
0 |
0.000 |
9 |
12 |
|
B |
28 |
10 |
11326 |
◊ |
F |
x,y,z-1 |
1_554 |
34 |
10 |
11437 |
280.8 |
-2.0 |
0.494 |
2 |
1 |
0 |
0.000 |
10 |
13 |
|
F |
37 |
12 |
11437 |
◊ |
A |
x-1,y+1,z+1 |
1_466 |
33 |
9 |
11240 |
257.8 |
-2.1 |
0.521 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
E |
31 |
12 |
11479 |
◊ |
D |
x-1,y-1,z |
1_445 |
29 |
11 |
11585 |
250.9 |
-2.6 |
0.433 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
D |
26 |
9 |
11585 |
x |
D |
x-1,y,z |
1_455 |
26 |
10 |
11585 |
248.4 |
-1.6 |
0.369 |
1 |
1 |
0 |
0.000 |
16 |
|
B |
29 |
8 |
11326 |
x |
B |
x-1,y,z |
1_455 |
23 |
9 |
11326 |
220.7 |
-1.5 |
0.362 |
1 |
0 |
0 |
0.000 |
Average: |
234.5 |
-1.6 |
0.365 |
1 |
1 |
0 |
0.000 |
13 |
17 |
|
C |
25 |
8 |
11559 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
11240 |
227.0 |
-3.8 |
0.232 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
E |
24 |
11 |
11479 |
◊ |
C |
x-1,y,z |
1_455 |
28 |
9 |
11559 |
225.6 |
-2.6 |
0.359 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
D |
24 |
8 |
11585 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
11326 |
202.9 |
-1.9 |
0.353 |
0 |
0 |
0 |
0.000 |
20 |
|
F |
21 |
10 |
11437 |
◊ |
B |
x-1,y,z+1 |
1_456 |
24 |
9 |
11326 |
182.0 |
-1.7 |
0.368 |
0 |
0 |
0 |
0.000 |
Average: |
192.5 |
-1.8 |
0.361 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
F |
22 |
8 |
11437 |
◊ |
D |
x,y,z |
1_555 |
24 |
10 |
11585 |
189.8 |
-1.6 |
0.370 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
A |
22 |
8 |
11240 |
◊ |
F |
x,y-1,z-1 |
1_544 |
22 |
10 |
11437 |
156.5 |
-1.3 |
0.482 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
E |
16 |
5 |
11479 |
◊ |
F |
x,y-1,z |
1_545 |
20 |
4 |
11437 |
134.6 |
-1.0 |
0.536 |
1 |
2 |
0 |
0.000 |
19 |
24 |
|
C |
18 |
7 |
11559 |
◊ |
B |
x-1,y-1,z |
1_445 |
17 |
7 |
11326 |
131.2 |
-1.4 |
0.441 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
C |
13 |
4 |
11559 |
x |
C |
x-1,y,z |
1_455 |
14 |
6 |
11559 |
126.3 |
0.2 |
0.696 |
0 |
2 |
0 |
0.000 |
26 |
|
A |
9 |
3 |
11240 |
x |
A |
x-1,y,z |
1_455 |
10 |
5 |
11240 |
58.0 |
-0.2 |
0.608 |
0 |
1 |
0 |
0.000 |
Average: |
92.2 |
0.0 |
0.652 |
0 |
2 |
0 |
0.000 |
21 |
27 |
|
C |
16 |
6 |
11559 |
◊ |
D |
x,y-1,z |
1_545 |
11 |
4 |
11585 |
108.2 |
-1.3 |
0.412 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
C |
21 |
6 |
11559 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
2 |
11240 |
104.6 |
-0.5 |
0.555 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
[SO4]A:500 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
11240 |
99.7 |
-15.0 |
0.783 |
5 |
0 |
0 |
0.447 |
30 |
|
[SO4]E:504 |
5 |
1 |
181 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
11479 |
99.4 |
-14.0 |
0.895 |
5 |
0 |
0 |
0.447 |
31 |
|
[SO4]F:505 |
5 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
11437 |
98.4 |
-14.1 |
0.902 |
5 |
0 |
0 |
0.447 |
32 |
|
[SO4]D:503 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
11585 |
97.9 |
-14.0 |
0.896 |
5 |
0 |
0 |
0.447 |
33 |
|
[SO4]B:501 |
5 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
11326 |
97.4 |
-14.7 |
0.794 |
5 |
0 |
0 |
0.447 |
34 |
|
[SO4]C:502 |
5 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
11559 |
90.2 |
-14.0 |
0.761 |
5 |
0 |
0 |
0.447 |
Average: |
97.2 |
-14.3 |
0.838 |
5 |
0 |
0 |
0.447 |
24 |
35 |
|
C |
10 |
3 |
11559 |
◊ |
F |
x,y-1,z-1 |
1_544 |
9 |
3 |
11437 |
71.6 |
-1.0 |
0.380 |
1 |
0 |
0 |
0.000 |
25 |
36 |
|
E |
11 |
2 |
11479 |
◊ |
B |
x-1,y-1,z |
1_445 |
11 |
2 |
11326 |
66.9 |
-0.8 |
0.482 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
A |
9 |
5 |
11240 |
◊ |
B |
x,y-1,z |
1_545 |
10 |
3 |
11326 |
65.2 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[ZN]E:603 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
11479 |
37.1 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.537 |
39 |
|
[ZN]D:602 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
11585 |
36.8 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.537 |
40 |
|
[ZN]D:602 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
11559 |
36.5 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.537 |
41 |
|
[ZN]A:601 |
1 |
1 |
98 |
c |
A |
x,y,z |
1_555 |
5 |
3 |
11240 |
36.2 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.537 |
42 |
|
[ZN]E:603 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
11437 |
36.1 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.537 |
43 |
|
[ZN]A:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11326 |
35.8 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.537 |
Average: |
36.4 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.537 |
28 |
44 |
|
F |
4 |
1 |
11437 |
◊ |
A |
x-1,y,z+1 |
1_456 |
2 |
1 |
11240 |
19.9 |
-0.3 |
0.372 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
A |
4 |
2 |
11240 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
2 |
11479 |
19.5 |
-0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
D |
2 |
2 |
11585 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
11559 |
14.3 |
0.2 |
0.386 |
0 |
0 |
0 |
0.000 |
47 |
|
B |
2 |
2 |
11326 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
11240 |
8.7 |
-0.3 |
0.281 |
0 |
0 |
0 |
0.000 |
Average: |
11.5 |
-0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
A |
2 |
1 |
11240 |
◊ |
D |
x,y-1,z-1 |
1_544 |
3 |
2 |
11585 |
12.4 |
-0.6 |
0.275 |
0 |
0 |
0 |
0.000 |
|