## |
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 |
53 |
18 |
9820 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
53 |
15 |
9676 |
523.7 |
-6.4 |
0.277 |
1 |
5 |
0 |
0.000 |
2 |
|
D |
54 |
17 |
9904 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
56 |
18 |
9746 |
512.0 |
-4.0 |
0.431 |
0 |
7 |
0 |
0.000 |
Average: |
517.9 |
-5.2 |
0.354 |
1 |
6 |
0 |
0.000 |
2 |
3 |
|
E |
45 |
16 |
9342 |
◊ |
B |
x,y,z |
1_555 |
40 |
8 |
9820 |
381.2 |
-5.9 |
0.141 |
1 |
0 |
0 |
0.175 |
4 |
|
D |
38 |
9 |
9904 |
◊ |
C |
x,y,z |
1_555 |
41 |
14 |
9490 |
365.6 |
-6.4 |
0.104 |
2 |
0 |
0 |
0.175 |
5 |
|
F |
33 |
10 |
9746 |
◊ |
B |
x,y,z |
1_555 |
43 |
14 |
9820 |
335.5 |
-4.9 |
0.173 |
2 |
0 |
0 |
0.175 |
6 |
|
D |
40 |
14 |
9904 |
◊ |
A |
x,y,z |
1_555 |
34 |
9 |
9676 |
334.8 |
-2.6 |
0.392 |
3 |
0 |
0 |
0.175 |
7 |
|
F |
37 |
12 |
9746 |
◊ |
E |
x,y,z |
1_555 |
37 |
7 |
9342 |
308.5 |
-3.0 |
0.348 |
2 |
0 |
0 |
0.175 |
8 |
|
C |
33 |
8 |
9490 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
9676 |
302.6 |
-2.8 |
0.394 |
2 |
0 |
0 |
0.175 |
Average: |
338.0 |
-4.3 |
0.259 |
2 |
0 |
0 |
0.175 |
3 |
9 |
|
C |
41 |
12 |
9490 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
46 |
14 |
9820 |
345.0 |
-2.7 |
0.489 |
1 |
0 |
0 |
0.000 |
10 |
|
E |
42 |
14 |
9342 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
45 |
13 |
9904 |
332.7 |
-3.2 |
0.442 |
2 |
0 |
0 |
0.000 |
Average: |
338.8 |
-3.0 |
0.465 |
2 |
0 |
0 |
0.000 |
4 |
11 |
|
[PW2]B:502 |
25 |
1 |
555 |
f |
B |
x,y,z |
1_555 |
42 |
21 |
9820 |
337.9 |
-9.6 |
0.192 |
4 |
0 |
0 |
0.124 |
5 |
12 |
|
[PW2]F:502 |
25 |
1 |
561 |
f |
F |
x,y,z |
1_555 |
45 |
21 |
9746 |
337.5 |
-9.3 |
0.221 |
5 |
0 |
0 |
0.126 |
6 |
13 |
|
[PW2]D:502 |
25 |
1 |
555 |
f |
D |
x,y,z |
1_555 |
44 |
20 |
9904 |
334.0 |
-9.8 |
0.218 |
4 |
0 |
0 |
0.068 |
7 |
14 |
|
[PW2]A:502 |
25 |
1 |
553 |
f |
A |
x,y,z |
1_555 |
40 |
19 |
9676 |
305.3 |
-8.7 |
0.238 |
4 |
0 |
0 |
0.065 |
8 |
15 |
|
[PW2]E:502 |
24 |
1 |
563 |
f |
E |
x,y,z |
1_555 |
37 |
18 |
9342 |
296.0 |
-8.0 |
0.333 |
5 |
0 |
0 |
0.112 |
16 |
|
[PW2]C:502 |
25 |
1 |
559 |
f |
C |
x,y,z |
1_555 |
37 |
18 |
9490 |
292.8 |
-8.2 |
0.222 |
3 |
0 |
0 |
0.112 |
Average: |
294.4 |
-8.1 |
0.277 |
4 |
0 |
0 |
0.112 |
9 |
17 |
|
F |
29 |
9 |
9746 |
◊ |
C |
x-1/2,-y-1/2,-z-1 |
4_444 |
23 |
6 |
9490 |
248.8 |
-1.6 |
0.492 |
1 |
0 |
0 |
0.000 |
18 |
|
E |
25 |
6 |
9342 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
29 |
10 |
9676 |
234.9 |
-1.9 |
0.517 |
3 |
0 |
0 |
0.000 |
Average: |
241.8 |
-1.7 |
0.504 |
2 |
0 |
0 |
0.000 |
10 |
19 |
|
F |
28 |
8 |
9746 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
7 |
9676 |
202.9 |
-1.0 |
0.605 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
F |
14 |
5 |
9746 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
9676 |
118.8 |
-2.5 |
0.219 |
0 |
0 |
0 |
0.000 |
21 |
|
E |
11 |
5 |
9342 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
9490 |
109.2 |
-2.8 |
0.159 |
0 |
0 |
0 |
0.000 |
Average: |
114.0 |
-2.6 |
0.189 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
[PW2]E:502 |
15 |
1 |
563 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
9820 |
110.1 |
-3.0 |
0.285 |
0 |
0 |
0 |
0.033 |
13 |
23 |
|
[GOL]E:503 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
18 |
6 |
9342 |
109.2 |
-0.5 |
0.535 |
1 |
0 |
0 |
0.011 |
14 |
24 |
|
D |
12 |
4 |
9904 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
9820 |
107.3 |
-2.3 |
0.199 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
[PW2]C:502 |
13 |
1 |
559 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
9904 |
101.4 |
-2.8 |
0.319 |
0 |
0 |
0 |
0.004 |
16 |
26 |
|
[PW2]A:502 |
14 |
1 |
553 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
9490 |
97.4 |
-2.5 |
0.370 |
0 |
0 |
0 |
0.003 |
17 |
27 |
|
[PW2]B:502 |
15 |
1 |
555 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
9746 |
95.8 |
-2.5 |
0.332 |
0 |
0 |
0 |
0.028 |
18 |
28 |
|
[PW2]F:502 |
15 |
1 |
561 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
9342 |
91.0 |
-2.1 |
0.443 |
0 |
0 |
0 |
0.023 |
19 |
29 |
|
[PW2]D:502 |
14 |
1 |
555 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
9676 |
89.5 |
-2.2 |
0.394 |
0 |
0 |
0 |
0.003 |
20 |
30 |
|
[SO4]E:504 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
9342 |
84.2 |
-12.0 |
0.911 |
5 |
0 |
0 |
0.155 |
21 |
31 |
|
E |
11 |
3 |
9342 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
4 |
9490 |
82.7 |
-0.7 |
0.462 |
0 |
1 |
0 |
0.000 |
22 |
32 |
|
B |
5 |
1 |
9820 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
9490 |
47.1 |
-0.1 |
0.190 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[MN]C:501 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
9490 |
46.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.124 |
34 |
|
[MN]A:501 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
9676 |
45.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.124 |
35 |
|
[MN]B:501 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
9820 |
45.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.124 |
36 |
|
[MN]F:501 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
9746 |
45.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.124 |
37 |
|
[MN]D:501 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
9904 |
45.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.124 |
38 |
|
[MN]E:501 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
11 |
8 |
9342 |
44.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.124 |
Average: |
45.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.124 |
24 |
39 |
|
[PW2]F:502 |
5 |
1 |
561 |
f |
[MN]F:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
40.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.020 |
25 |
40 |
|
[PW2]A:502 |
5 |
1 |
553 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
40.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
41 |
|
[PW2]C:502 |
5 |
1 |
559 |
f |
[MN]C:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
39.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.012 |
26 |
42 |
|
[PW2]B:502 |
4 |
1 |
555 |
f |
[MN]B:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.039 |
43 |
|
[PW2]D:502 |
5 |
1 |
555 |
f |
[MN]D:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.039 |
44 |
|
[PW2]E:502 |
5 |
1 |
563 |
f |
[MN]E:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
38.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.039 |
27 |
45 |
|
[MN]E:501 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9820 |
14.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.030 |
46 |
|
[MN]D:501 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9676 |
14.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.030 |
47 |
|
[MN]B:501 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
9746 |
13.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.030 |
48 |
|
[MN]F:501 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
9342 |
13.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.030 |
49 |
|
[MN]C:501 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9904 |
12.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.030 |
50 |
|
[MN]A:501 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9490 |
12.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
13.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.030 |
28 |
51 |
|
B |
1 |
1 |
9820 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
9904 |
11.0 |
-0.4 |
0.263 |
0 |
0 |
0 |
0.000 |
|