## |
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 |
|
A |
344 |
88 |
16928 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
342 |
88 |
16928 |
3370.7 |
-48.0 |
0.002 |
28 |
16 |
0 |
0.300 |
2 |
|
C |
326 |
88 |
17089 |
◊ |
B |
-x+3,y,-z+3 |
2_858 |
330 |
83 |
16588 |
3248.2 |
-49.8 |
0.002 |
27 |
16 |
0 |
0.300 |
Average: |
3309.5 |
-48.9 |
0.002 |
28 |
16 |
0 |
0.300 |
2 |
3 |
|
B |
75 |
22 |
16588 |
◊ |
A |
x,y,z |
1_555 |
78 |
21 |
16928 |
708.4 |
-1.2 |
0.685 |
7 |
6 |
0 |
0.000 |
3 |
4 |
|
C |
62 |
19 |
17089 |
◊ |
A |
x,y,z |
1_555 |
63 |
19 |
16928 |
589.1 |
-1.4 |
0.614 |
5 |
6 |
0 |
0.000 |
4 |
5 |
|
A |
44 |
12 |
16928 |
◊ |
C |
x-1/2,y-1/2,z-1 |
3_444 |
45 |
11 |
17089 |
423.0 |
-3.4 |
0.436 |
7 |
6 |
0 |
0.019 |
5 |
6 |
|
A |
24 |
6 |
16928 |
◊ |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
25 |
8 |
16588 |
238.8 |
0.9 |
0.757 |
2 |
0 |
0 |
0.000 |
7 |
|
A |
26 |
8 |
16928 |
◊ |
C |
-x+5/2,y-1/2,-z+3 |
4_748 |
25 |
6 |
17089 |
233.5 |
0.8 |
0.760 |
1 |
0 |
0 |
0.000 |
Average: |
236.2 |
0.8 |
0.758 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
[P9P]C:402 |
11 |
1 |
305 |
f |
C |
x,y,z |
1_555 |
26 |
15 |
17089 |
181.8 |
-7.0 |
0.328 |
2 |
0 |
0 |
0.074 |
9 |
|
[P9P]A:402 |
11 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
26 |
15 |
16928 |
176.1 |
-6.8 |
0.321 |
3 |
0 |
0 |
0.074 |
10 |
|
[P9P]B:403 |
11 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
27 |
15 |
16588 |
174.4 |
-6.7 |
0.334 |
3 |
0 |
0 |
0.074 |
Average: |
177.4 |
-6.8 |
0.328 |
3 |
0 |
0 |
0.074 |
7 |
11 |
|
[P9P]C:404 |
11 |
1 |
301 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
17089 |
181.5 |
-6.9 |
0.372 |
1 |
0 |
0 |
0.063 |
12 |
|
[P9P]A:403 |
11 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
16928 |
150.8 |
-5.6 |
0.356 |
1 |
0 |
0 |
0.063 |
13 |
|
[P9P]B:404 |
11 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
32 |
13 |
16588 |
150.2 |
-5.7 |
0.363 |
1 |
0 |
0 |
0.063 |
Average: |
160.8 |
-6.1 |
0.363 |
1 |
0 |
0 |
0.063 |
8 |
14 |
|
[P9P]C:403 |
11 |
1 |
302 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
17089 |
165.2 |
-5.4 |
0.454 |
1 |
0 |
0 |
0.056 |
15 |
|
[P9P]B:405 |
11 |
1 |
301 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
16588 |
154.3 |
-5.6 |
0.442 |
1 |
0 |
0 |
0.056 |
16 |
|
[P9P]A:404 |
11 |
1 |
301 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
16928 |
152.7 |
-5.7 |
0.435 |
1 |
0 |
0 |
0.056 |
Average: |
157.4 |
-5.6 |
0.444 |
1 |
0 |
0 |
0.056 |
9 |
17 |
|
B |
27 |
10 |
16588 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
14 |
3 |
16928 |
157.0 |
-0.9 |
0.554 |
2 |
0 |
0 |
0.000 |
18 |
|
C |
15 |
3 |
17089 |
◊ |
A |
-x+3,y,-z+3 |
2_858 |
29 |
10 |
16928 |
156.6 |
-0.8 |
0.568 |
2 |
0 |
0 |
0.000 |
Average: |
156.8 |
-0.8 |
0.561 |
2 |
0 |
0 |
0.000 |
10 |
19 |
|
A |
17 |
4 |
16928 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
17 |
4 |
16588 |
155.0 |
0.8 |
0.707 |
2 |
2 |
0 |
0.001 |
11 |
20 |
|
[P9P]B:406 |
11 |
1 |
304 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
16588 |
139.1 |
-4.7 |
0.323 |
3 |
0 |
0 |
0.038 |
21 |
|
[P9P]A:405 |
11 |
1 |
302 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
16928 |
137.5 |
-4.8 |
0.342 |
2 |
0 |
0 |
0.038 |
Average: |
138.3 |
-4.7 |
0.332 |
3 |
0 |
0 |
0.038 |
12 |
22 |
|
[P9P]A:406 |
11 |
1 |
302 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
16928 |
122.9 |
-3.6 |
0.569 |
1 |
0 |
0 |
0.027 |
23 |
|
[P9P]B:407 |
11 |
1 |
301 |
f |
B |
x,y,z |
1_555 |
20 |
5 |
16588 |
122.7 |
-3.5 |
0.568 |
1 |
0 |
0 |
0.027 |
Average: |
122.8 |
-3.5 |
0.568 |
1 |
0 |
0 |
0.027 |
13 |
24 |
|
[P9P]B:401 |
11 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
16928 |
108.7 |
-4.4 |
0.364 |
0 |
0 |
0 |
0.030 |
25 |
|
[P9P]A:407 |
11 |
1 |
305 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
16588 |
108.6 |
-4.4 |
0.376 |
0 |
0 |
0 |
0.030 |
Average: |
108.7 |
-4.4 |
0.370 |
0 |
0 |
0 |
0.030 |
14 |
26 |
|
[SO4]A:411 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
16928 |
95.5 |
-12.1 |
0.828 |
1 |
0 |
0 |
0.085 |
15 |
27 |
|
[SO4]B:408 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
16588 |
93.3 |
-11.4 |
0.770 |
3 |
0 |
0 |
0.060 |
16 |
28 |
|
[SO4]A:408 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
16928 |
93.1 |
-11.4 |
0.768 |
2 |
0 |
0 |
0.083 |
17 |
29 |
|
[P9P]A:407 |
9 |
1 |
305 |
◊ |
C |
-x+3,y,-z+3 |
2_858 |
15 |
4 |
17089 |
90.9 |
-1.9 |
0.493 |
0 |
0 |
0 |
0.013 |
30 |
|
[P9P]B:401 |
9 |
1 |
305 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
13 |
4 |
16928 |
90.0 |
-1.9 |
0.459 |
0 |
0 |
0 |
0.013 |
Average: |
90.4 |
-1.9 |
0.476 |
0 |
0 |
0 |
0.013 |
18 |
31 |
|
[P9P]A:406 |
10 |
1 |
302 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
13 |
5 |
16928 |
82.1 |
-1.9 |
0.309 |
0 |
0 |
0 |
0.013 |
32 |
|
[P9P]B:407 |
10 |
1 |
301 |
◊ |
C |
-x+3,y,-z+3 |
2_858 |
12 |
4 |
17089 |
80.2 |
-1.8 |
0.313 |
0 |
0 |
0 |
0.013 |
Average: |
81.2 |
-1.9 |
0.311 |
0 |
0 |
0 |
0.013 |
19 |
33 |
|
[SO4]B:411 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
16588 |
78.7 |
-11.8 |
0.734 |
2 |
0 |
0 |
0.059 |
20 |
34 |
|
[SO4]A:409 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
16928 |
76.8 |
-10.2 |
0.843 |
2 |
0 |
0 |
0.075 |
21 |
35 |
|
[SO4]B:409 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
5 |
16588 |
76.5 |
-10.0 |
0.841 |
2 |
0 |
0 |
0.051 |
22 |
36 |
|
[SO4]A:410 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
16928 |
71.7 |
-9.0 |
0.907 |
5 |
0 |
0 |
0.076 |
23 |
37 |
|
[SO4]C:405 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
17089 |
69.8 |
-8.5 |
0.938 |
5 |
0 |
0 |
0.050 |
24 |
38 |
|
C |
5 |
1 |
17089 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
11 |
4 |
16588 |
67.6 |
0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
[SO4]B:410 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
16588 |
65.6 |
-8.2 |
0.922 |
5 |
0 |
0 |
0.049 |
26 |
40 |
|
[P9P]B:401 |
7 |
1 |
305 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
16588 |
61.7 |
-1.1 |
0.588 |
1 |
0 |
0 |
0.000 |
41 |
|
[P9P]A:407 |
7 |
1 |
305 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
16928 |
61.2 |
-1.2 |
0.580 |
2 |
0 |
0 |
0.000 |
Average: |
61.4 |
-1.1 |
0.584 |
2 |
0 |
0 |
0.000 |
27 |
42 |
|
[P9P]C:404 |
11 |
1 |
301 |
f |
[P9P]C:403 |
x,y,z |
1_555 |
10 |
1 |
302 |
60.7 |
-2.0 |
0.697 |
0 |
0 |
0 |
0.018 |
43 |
|
[P9P]B:405 |
10 |
1 |
301 |
f |
[P9P]B:404 |
x,y,z |
1_555 |
11 |
1 |
303 |
52.3 |
-2.0 |
0.687 |
0 |
0 |
0 |
0.018 |
44 |
|
[P9P]A:404 |
10 |
1 |
301 |
f |
[P9P]A:403 |
x,y,z |
1_555 |
11 |
1 |
304 |
52.0 |
-2.0 |
0.708 |
0 |
0 |
0 |
0.018 |
Average: |
55.0 |
-2.0 |
0.697 |
0 |
0 |
0 |
0.018 |
28 |
45 |
|
B |
4 |
1 |
16588 |
◊ |
A |
-x+3,y,-z+3 |
2_858 |
5 |
2 |
16928 |
51.9 |
-1.3 |
0.183 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
[P9P]A:405 |
4 |
1 |
302 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
4 |
2 |
16928 |
36.9 |
-1.3 |
0.197 |
0 |
0 |
0 |
0.009 |
47 |
|
[P9P]B:406 |
5 |
1 |
304 |
◊ |
C |
-x+3,y,-z+3 |
2_858 |
3 |
2 |
17089 |
35.9 |
-1.3 |
0.176 |
0 |
0 |
0 |
0.009 |
Average: |
36.4 |
-1.3 |
0.186 |
0 |
0 |
0 |
0.009 |
30 |
48 |
|
[SO4]B:408 |
4 |
1 |
186 |
◊ |
C |
-x+3,y,-z+3 |
2_858 |
3 |
1 |
17089 |
35.4 |
-3.6 |
0.975 |
3 |
0 |
0 |
0.023 |
31 |
49 |
|
A |
7 |
3 |
16928 |
◊ |
[SO4]B:408 |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
186 |
35.4 |
-4.8 |
0.635 |
0 |
0 |
0 |
0.012 |
32 |
50 |
|
[SO4]A:408 |
4 |
1 |
184 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
3 |
1 |
16928 |
35.2 |
-3.5 |
0.975 |
3 |
0 |
0 |
0.033 |
33 |
51 |
|
[P9P]A:405 |
4 |
1 |
302 |
f |
[P9P]A:403 |
x,y,z |
1_555 |
9 |
1 |
304 |
35.2 |
-1.4 |
0.564 |
0 |
0 |
0 |
0.010 |
52 |
|
[P9P]B:406 |
3 |
1 |
304 |
f |
[P9P]B:404 |
x,y,z |
1_555 |
9 |
1 |
303 |
34.5 |
-1.3 |
0.538 |
0 |
0 |
0 |
0.010 |
Average: |
34.8 |
-1.4 |
0.551 |
0 |
0 |
0 |
0.010 |
34 |
53 |
|
[SO4]A:408 |
3 |
1 |
184 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
16588 |
34.2 |
-4.8 |
0.625 |
0 |
0 |
0 |
0.012 |
35 |
54 |
|
[SO4]A:410 |
4 |
1 |
185 |
◊ |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
4 |
1 |
16588 |
33.9 |
-3.5 |
0.941 |
1 |
0 |
0 |
0.010 |
36 |
55 |
|
[P9P]C:403 |
5 |
1 |
302 |
f |
[P9P]C:402 |
x,y,z |
1_555 |
3 |
1 |
305 |
33.9 |
-0.5 |
0.569 |
0 |
0 |
0 |
0.004 |
56 |
|
[P9P]A:404 |
5 |
1 |
301 |
f |
[P9P]A:402 |
x,y,z |
1_555 |
4 |
1 |
306 |
31.7 |
-0.4 |
0.596 |
0 |
0 |
0 |
0.004 |
57 |
|
[P9P]B:405 |
5 |
1 |
301 |
f |
[P9P]B:403 |
x,y,z |
1_555 |
3 |
1 |
302 |
31.4 |
-0.4 |
0.569 |
0 |
0 |
0 |
0.004 |
Average: |
32.3 |
-0.5 |
0.578 |
0 |
0 |
0 |
0.004 |
37 |
58 |
|
A |
4 |
1 |
16928 |
◊ |
[SO4]C:405 |
-x+5/2,y-1/2,-z+3 |
4_748 |
4 |
1 |
186 |
32.2 |
-3.5 |
0.896 |
1 |
0 |
0 |
0.010 |
38 |
59 |
|
[P9P]C:404 |
4 |
1 |
301 |
f |
[P9P]C:402 |
x,y,z |
1_555 |
2 |
1 |
305 |
31.0 |
0.3 |
0.740 |
0 |
0 |
0 |
0.000 |
60 |
|
[P9P]B:404 |
3 |
1 |
303 |
f |
[P9P]B:403 |
x,y,z |
1_555 |
2 |
1 |
302 |
24.5 |
0.2 |
0.752 |
0 |
0 |
0 |
0.000 |
61 |
|
[P9P]A:403 |
4 |
1 |
304 |
f |
[P9P]A:402 |
x,y,z |
1_555 |
2 |
1 |
306 |
24.4 |
0.3 |
0.740 |
0 |
0 |
0 |
0.000 |
Average: |
26.6 |
0.3 |
0.744 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
[P9P]A:406 |
5 |
1 |
302 |
f |
[P9P]A:405 |
x,y,z |
1_555 |
6 |
1 |
302 |
29.5 |
-3.0 |
0.517 |
0 |
0 |
0 |
0.020 |
63 |
|
[P9P]B:407 |
5 |
1 |
301 |
f |
[P9P]B:406 |
x,y,z |
1_555 |
6 |
1 |
304 |
29.4 |
-2.9 |
0.517 |
0 |
0 |
0 |
0.020 |
Average: |
29.5 |
-2.9 |
0.517 |
0 |
0 |
0 |
0.020 |
40 |
64 |
|
[P9P]B:406 |
2 |
1 |
304 |
f |
[P9P]A:407 |
x,y,z |
1_555 |
10 |
1 |
305 |
29.5 |
-3.3 |
0.354 |
0 |
0 |
0 |
0.023 |
65 |
|
[P9P]B:401 |
10 |
1 |
305 |
f |
[P9P]A:405 |
x,y,z |
1_555 |
2 |
1 |
302 |
29.0 |
-3.3 |
0.367 |
0 |
0 |
0 |
0.023 |
Average: |
29.2 |
-3.3 |
0.361 |
0 |
0 |
0 |
0.023 |
41 |
66 |
|
[P9P]B:407 |
2 |
1 |
301 |
f |
[P9P]B:404 |
x,y,z |
1_555 |
6 |
1 |
303 |
28.9 |
-2.6 |
0.301 |
1 |
0 |
0 |
0.020 |
67 |
|
[P9P]A:406 |
2 |
1 |
302 |
f |
[P9P]A:403 |
x,y,z |
1_555 |
6 |
1 |
304 |
27.7 |
-2.5 |
0.301 |
1 |
0 |
0 |
0.020 |
Average: |
28.3 |
-2.6 |
0.301 |
1 |
0 |
0 |
0.020 |
42 |
68 |
|
[SO4]B:409 |
4 |
1 |
186 |
f |
[P9P]B:406 |
x,y,z |
1_555 |
3 |
1 |
304 |
25.0 |
-2.2 |
0.918 |
0 |
0 |
0 |
0.010 |
43 |
69 |
|
[SO4]A:409 |
4 |
1 |
185 |
f |
[P9P]A:405 |
x,y,z |
1_555 |
3 |
1 |
302 |
24.3 |
-2.2 |
0.918 |
0 |
0 |
0 |
0.015 |
44 |
70 |
|
[SO4]B:409 |
3 |
1 |
186 |
f |
[P9P]B:407 |
x,y,z |
1_555 |
5 |
1 |
301 |
24.1 |
-3.0 |
0.748 |
2 |
0 |
0 |
0.018 |
45 |
71 |
|
[SO4]A:409 |
3 |
1 |
185 |
f |
[P9P]A:406 |
x,y,z |
1_555 |
5 |
1 |
302 |
24.0 |
-2.9 |
0.748 |
2 |
0 |
0 |
0.026 |
46 |
72 |
|
[SO4]B:409 |
3 |
1 |
186 |
◊ |
C |
-x+3,y,-z+3 |
2_858 |
3 |
1 |
17089 |
20.8 |
-3.0 |
0.507 |
0 |
0 |
0 |
0.014 |
47 |
73 |
|
[SO4]A:409 |
2 |
1 |
185 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
3 |
1 |
16928 |
19.6 |
-2.9 |
0.502 |
0 |
0 |
0 |
0.019 |
48 |
74 |
|
B |
3 |
1 |
16588 |
◊ |
B |
-x+3,y,-z+3 |
2_858 |
3 |
1 |
16588 |
16.4 |
0.3 |
0.772 |
0 |
0 |
0 |
0.000 |
49 |
75 |
|
[SO4]A:409 |
1 |
1 |
185 |
f |
[P9P]A:403 |
x,y,z |
1_555 |
6 |
1 |
304 |
15.5 |
-2.1 |
0.751 |
0 |
0 |
0 |
0.014 |
50 |
76 |
|
[SO4]B:409 |
1 |
1 |
186 |
f |
[P9P]B:404 |
x,y,z |
1_555 |
6 |
1 |
303 |
14.8 |
-2.0 |
0.751 |
0 |
0 |
0 |
0.010 |
51 |
77 |
|
C |
2 |
1 |
17089 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
2 |
1 |
16928 |
8.4 |
-0.3 |
0.392 |
0 |
0 |
0 |
0.000 |
52 |
78 |
|
[SO4]B:409 |
2 |
1 |
186 |
f |
[P9P]B:403 |
x,y,z |
1_555 |
1 |
1 |
302 |
7.1 |
-0.7 |
0.782 |
0 |
0 |
0 |
0.003 |
53 |
79 |
|
[SO4]A:408 |
1 |
1 |
184 |
◊ |
C |
-x+5/2,y-1/2,-z+3 |
4_748 |
1 |
1 |
17089 |
6.5 |
-0.7 |
0.819 |
0 |
0 |
0 |
0.002 |
54 |
80 |
|
[SO4]A:409 |
2 |
1 |
185 |
f |
[P9P]A:402 |
x,y,z |
1_555 |
1 |
1 |
306 |
6.3 |
-0.6 |
0.782 |
0 |
0 |
0 |
0.004 |
55 |
81 |
|
A |
1 |
1 |
16928 |
◊ |
[SO4]B:408 |
-x+5/2,y-1/2,-z+2 |
4_747 |
1 |
1 |
186 |
6.3 |
-0.6 |
0.817 |
0 |
0 |
0 |
0.002 |
56 |
82 |
|
C |
1 |
1 |
17089 |
◊ |
C |
-x+3,y,-z+3 |
2_858 |
1 |
1 |
17089 |
1.3 |
0.0 |
0.725 |
0 |
0 |
0 |
0.000 |
|