| ## |
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 |
|
J |
691 |
145 |
32153 |
◊ |
I |
x,y,z |
1_555 |
674 |
145 |
32135 |
6415.9 |
-69.1 |
0.980 |
362 |
0 |
0 |
0.999 |
| 2 |
2 |
|
F |
233 |
55 |
7712 |
◊ |
E |
x,y,z |
1_555 |
268 |
59 |
8650 |
2528.9 |
-42.8 |
0.042 |
22 |
4 |
0 |
0.993 |
3 |
|
B |
238 |
52 |
6940 |
◊ |
A |
x,y,z |
1_555 |
251 |
60 |
8617 |
2440.3 |
-38.3 |
0.072 |
20 |
4 |
0 |
0.993 |
| Average: |
2484.6 |
-40.6 |
0.057 |
21 |
4 |
0 |
0.993 |
| 3 |
4 |
|
H |
256 |
63 |
8291 |
◊ |
G |
x,y,z |
1_555 |
243 |
59 |
8899 |
2486.7 |
-46.0 |
0.025 |
19 |
7 |
0 |
0.724 |
5 |
|
D |
255 |
63 |
8206 |
◊ |
C |
x,y,z |
1_555 |
246 |
59 |
8883 |
2481.8 |
-45.6 |
0.022 |
22 |
8 |
0 |
0.724 |
| Average: |
2484.2 |
-45.8 |
0.024 |
21 |
8 |
0 |
0.724 |
| 4 |
6 |
|
J |
101 |
19 |
32153 |
◊ |
A |
x,y,z |
1_555 |
81 |
22 |
8617 |
799.0 |
-4.4 |
0.817 |
13 |
0 |
0 |
0.771 |
7 |
|
I |
101 |
19 |
32135 |
◊ |
E |
x,y,z |
1_555 |
77 |
22 |
8650 |
768.9 |
-7.3 |
0.749 |
16 |
0 |
0 |
0.771 |
| Average: |
783.9 |
-5.9 |
0.783 |
15 |
0 |
0 |
0.771 |
| 5 |
8 |
|
I |
91 |
18 |
32135 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
8617 |
730.4 |
-10.3 |
0.619 |
16 |
0 |
0 |
0.967 |
9 |
|
J |
85 |
17 |
32153 |
◊ |
E |
x,y,z |
1_555 |
74 |
20 |
8650 |
693.9 |
-13.4 |
0.502 |
14 |
0 |
0 |
0.967 |
| Average: |
712.2 |
-11.8 |
0.560 |
15 |
0 |
0 |
0.967 |
| 6 |
10 |
|
G |
60 |
16 |
8899 |
◊ |
A |
x,y,z |
1_555 |
63 |
21 |
8617 |
671.0 |
-7.8 |
0.294 |
8 |
0 |
0 |
0.493 |
11 |
|
C |
62 |
16 |
8883 |
◊ |
E |
x,y,z |
1_555 |
60 |
20 |
8650 |
655.6 |
-8.0 |
0.301 |
7 |
0 |
0 |
0.493 |
| Average: |
663.3 |
-7.9 |
0.298 |
8 |
0 |
0 |
0.493 |
| 7 |
12 |
|
E |
60 |
15 |
8650 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
8617 |
578.4 |
-9.1 |
0.238 |
2 |
4 |
0 |
0.028 |
| 8 |
13 |
|
D |
53 |
12 |
8206 |
◊ |
B |
x,y,z |
1_555 |
51 |
11 |
6940 |
497.2 |
-1.7 |
0.694 |
7 |
4 |
0 |
0.056 |
14 |
|
H |
54 |
12 |
8291 |
◊ |
F |
x,y,z |
1_555 |
54 |
11 |
7712 |
477.4 |
-1.7 |
0.674 |
6 |
2 |
0 |
0.056 |
| Average: |
487.3 |
-1.7 |
0.684 |
7 |
3 |
0 |
0.056 |
| 9 |
15 |
|
I |
61 |
14 |
32135 |
◊ |
G |
x,y,z |
1_555 |
46 |
18 |
8899 |
477.4 |
-4.2 |
0.659 |
14 |
0 |
0 |
0.404 |
16 |
|
J |
58 |
13 |
32153 |
◊ |
C |
x,y,z |
1_555 |
46 |
16 |
8883 |
444.1 |
-6.1 |
0.597 |
10 |
0 |
0 |
0.404 |
| Average: |
460.8 |
-5.2 |
0.628 |
12 |
0 |
0 |
0.404 |
| 10 |
17 |
|
J |
59 |
13 |
32153 |
◊ |
H |
x,y,z |
1_555 |
49 |
15 |
8291 |
461.2 |
-10.8 |
0.432 |
13 |
0 |
0 |
0.505 |
18 |
|
I |
57 |
14 |
32135 |
◊ |
D |
x,y,z |
1_555 |
47 |
16 |
8206 |
420.0 |
-7.8 |
0.539 |
9 |
0 |
0 |
0.505 |
| Average: |
440.6 |
-9.3 |
0.486 |
11 |
0 |
0 |
0.505 |
| 11 |
19 |
|
J |
55 |
10 |
32153 |
◊ |
B |
x,y,z |
1_555 |
46 |
17 |
6940 |
419.1 |
-8.6 |
0.458 |
7 |
0 |
0 |
0.168 |
20 |
|
I |
43 |
9 |
32135 |
◊ |
F |
x,y,z |
1_555 |
42 |
15 |
7712 |
369.1 |
-8.0 |
0.393 |
9 |
0 |
0 |
0.168 |
| Average: |
394.1 |
-8.3 |
0.425 |
8 |
0 |
0 |
0.168 |
| 12 |
21 |
|
J |
51 |
11 |
32153 |
◊ |
G |
x,y,z |
1_555 |
47 |
13 |
8899 |
393.0 |
-4.2 |
0.657 |
9 |
0 |
0 |
0.076 |
22 |
|
I |
51 |
12 |
32135 |
◊ |
C |
x,y,z |
1_555 |
45 |
12 |
8883 |
378.5 |
-4.6 |
0.629 |
6 |
0 |
0 |
0.076 |
| Average: |
385.7 |
-4.4 |
0.643 |
8 |
0 |
0 |
0.076 |
| 13 |
23 |
|
G |
42 |
14 |
8899 |
◊ |
B |
x,y,z |
1_555 |
46 |
12 |
6940 |
383.6 |
-4.6 |
0.336 |
5 |
0 |
0 |
0.063 |
24 |
|
C |
43 |
15 |
8883 |
◊ |
F |
x,y,z |
1_555 |
47 |
12 |
7712 |
380.7 |
-4.9 |
0.323 |
4 |
0 |
0 |
0.063 |
| Average: |
382.1 |
-4.7 |
0.329 |
5 |
0 |
0 |
0.063 |
| 14 |
25 |
|
J |
41 |
7 |
32153 |
◊ |
D |
x,y,z |
1_555 |
34 |
11 |
8206 |
332.6 |
-4.8 |
0.588 |
3 |
0 |
0 |
0.046 |
26 |
|
I |
36 |
6 |
32135 |
◊ |
H |
x,y,z |
1_555 |
34 |
11 |
8291 |
305.5 |
-3.1 |
0.650 |
5 |
0 |
0 |
0.046 |
| Average: |
319.0 |
-4.0 |
0.619 |
4 |
0 |
0 |
0.046 |
| 15 |
27 |
|
J |
46 |
12 |
32153 |
◊ |
F |
x,y,z |
1_555 |
33 |
13 |
7712 |
297.1 |
-1.9 |
0.714 |
3 |
0 |
0 |
0.039 |
28 |
|
I |
37 |
10 |
32135 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
6940 |
248.4 |
-0.8 |
0.742 |
4 |
0 |
0 |
0.039 |
| Average: |
272.8 |
-1.4 |
0.728 |
4 |
0 |
0 |
0.039 |
| 16 |
29 |
|
H |
38 |
12 |
8291 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
6940 |
270.8 |
-0.6 |
0.704 |
5 |
1 |
0 |
0.028 |
30 |
|
D |
33 |
9 |
8206 |
◊ |
F |
x,y,z |
1_555 |
29 |
7 |
7712 |
230.1 |
-1.1 |
0.633 |
3 |
1 |
0 |
0.028 |
| Average: |
250.4 |
-0.8 |
0.668 |
4 |
1 |
0 |
0.028 |
| 17 |
31 |
|
F |
30 |
8 |
7712 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
34 |
9 |
8883 |
267.1 |
-0.0 |
0.674 |
2 |
4 |
0 |
0.004 |
| 18 |
32 |
|
F |
29 |
7 |
7712 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
30 |
8 |
8206 |
258.4 |
0.3 |
0.707 |
3 |
1 |
0 |
0.004 |
| 19 |
33 |
|
G |
21 |
7 |
8899 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
8883 |
165.7 |
1.1 |
0.773 |
3 |
0 |
0 |
0.000 |
| 20 |
34 |
|
[RAX]G:202 |
13 |
1 |
424 |
◊ |
G |
x,y,z |
1_555 |
17 |
5 |
8899 |
140.8 |
1.0 |
0.224 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[AUF]A:201 |
7 |
1 |
310 |
◊ |
E |
x,y,z |
1_555 |
22 |
6 |
8650 |
129.7 |
1.5 |
0.327 |
0 |
0 |
0 |
0.000 |
36 |
|
[AUF]E:1002 |
7 |
1 |
311 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
8617 |
104.9 |
0.2 |
0.219 |
0 |
0 |
0 |
0.000 |
| Average: |
117.3 |
0.8 |
0.273 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
J |
15 |
3 |
32153 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
4 |
8206 |
115.9 |
-0.9 |
0.641 |
1 |
0 |
0 |
0.005 |
| 23 |
38 |
|
J |
13 |
3 |
32153 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
11 |
3 |
8617 |
111.1 |
-0.7 |
0.621 |
1 |
0 |
0 |
0.000 |
| 24 |
39 |
|
[RAX]H:202 |
10 |
1 |
419 |
f |
H |
x,y,z |
1_555 |
12 |
3 |
8291 |
98.6 |
-0.2 |
0.199 |
0 |
0 |
0 |
0.007 |
| 25 |
40 |
|
E |
15 |
5 |
8650 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
8883 |
98.6 |
0.9 |
0.751 |
2 |
0 |
0 |
0.000 |
| 26 |
41 |
|
[AUF]E:1002 |
5 |
1 |
311 |
f |
E |
x,y,z |
1_555 |
12 |
3 |
8650 |
98.1 |
0.0 |
0.285 |
0 |
0 |
0 |
0.000 |
| 27 |
42 |
|
[AUF]A:201 |
5 |
1 |
310 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
8617 |
92.4 |
-0.4 |
0.275 |
0 |
0 |
0 |
0.100 |
| 28 |
43 |
|
[SO4]H:201 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
8291 |
90.5 |
-13.8 |
0.812 |
5 |
0 |
0 |
0.489 |
| 29 |
44 |
|
I |
11 |
3 |
32135 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
4 |
8206 |
90.1 |
-2.9 |
0.279 |
0 |
0 |
0 |
0.010 |
| 30 |
45 |
|
J |
14 |
2 |
32153 |
◊ |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
13 |
2 |
32135 |
82.3 |
2.8 |
0.854 |
1 |
0 |
0 |
0.000 |
| 31 |
46 |
|
I |
12 |
3 |
32135 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
14 |
5 |
32153 |
82.2 |
-0.7 |
0.624 |
0 |
0 |
0 |
0.000 |
| 32 |
47 |
|
J |
9 |
1 |
32153 |
x |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
10 |
1 |
32153 |
68.4 |
1.4 |
0.752 |
0 |
0 |
0 |
0.000 |
| 33 |
48 |
|
[SO4]C:1101 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
8206 |
68.0 |
-9.9 |
0.737 |
2 |
0 |
0 |
0.138 |
| 34 |
49 |
|
E |
9 |
3 |
8650 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
8206 |
66.5 |
0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
| 35 |
50 |
|
[SO4]G:201 |
4 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
8291 |
62.8 |
-8.6 |
0.768 |
3 |
0 |
0 |
0.107 |
| 36 |
51 |
|
[RAX]H:202 |
4 |
1 |
419 |
◊ |
[RAX]G:202 |
x,y,z |
1_555 |
6 |
1 |
424 |
61.7 |
2.3 |
0.333 |
0 |
0 |
0 |
0.000 |
| 37 |
52 |
|
[RAX]G:202 |
9 |
1 |
424 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
8291 |
61.6 |
0.9 |
0.269 |
0 |
0 |
0 |
0.000 |
| 38 |
53 |
|
[SO4]G:201 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
8899 |
61.3 |
-9.1 |
0.734 |
5 |
0 |
0 |
0.492 |
| 39 |
54 |
|
H |
7 |
2 |
8291 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
32135 |
60.7 |
-2.7 |
0.275 |
0 |
0 |
0 |
0.011 |
| 40 |
55 |
|
D |
5 |
2 |
8206 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
8899 |
59.7 |
-0.3 |
0.525 |
1 |
0 |
0 |
0.006 |
56 |
|
H |
6 |
2 |
8291 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8883 |
51.4 |
-0.5 |
0.516 |
1 |
0 |
0 |
0.006 |
| Average: |
55.6 |
-0.4 |
0.521 |
1 |
0 |
0 |
0.006 |
| 41 |
57 |
|
[SO4]C:1101 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
8883 |
57.5 |
-8.6 |
0.727 |
5 |
0 |
0 |
0.138 |
| 42 |
58 |
|
G |
5 |
2 |
8899 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
8 |
2 |
32135 |
49.7 |
-1.0 |
0.509 |
1 |
0 |
0 |
0.000 |
| 43 |
59 |
|
H |
4 |
2 |
8291 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
32153 |
46.5 |
0.0 |
0.563 |
1 |
0 |
0 |
0.001 |
| 44 |
60 |
|
[MG]E:1001 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
8650 |
40.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.218 |
| 45 |
61 |
|
G |
4 |
2 |
8899 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8650 |
29.2 |
1.0 |
0.862 |
0 |
0 |
0 |
0.000 |
62 |
|
C |
1 |
1 |
8883 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8617 |
2.5 |
0.1 |
0.785 |
0 |
0 |
0 |
0.000 |
| Average: |
15.8 |
0.5 |
0.824 |
0 |
0 |
0 |
0.000 |
| 46 |
63 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
8206 |
26.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| 47 |
64 |
|
[SO4]G:201 |
4 |
1 |
188 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
32135 |
25.1 |
-3.8 |
0.406 |
0 |
0 |
0 |
0.148 |
| 48 |
65 |
|
[RAX]H:202 |
5 |
1 |
419 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
8899 |
24.1 |
0.9 |
0.461 |
0 |
0 |
0 |
0.000 |
| 49 |
66 |
|
J |
2 |
2 |
32153 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8883 |
21.8 |
-0.5 |
0.437 |
0 |
0 |
0 |
0.001 |
| 50 |
67 |
|
[SO4]C:1101 |
4 |
1 |
187 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
32153 |
21.4 |
-3.2 |
0.521 |
0 |
0 |
0 |
0.024 |
| 51 |
68 |
|
I |
3 |
1 |
32135 |
◊ |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
8650 |
18.0 |
0.4 |
0.657 |
0 |
0 |
0 |
0.000 |
| 52 |
69 |
|
I |
5 |
2 |
32135 |
◊ |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
2 |
32153 |
17.5 |
-0.5 |
0.504 |
0 |
0 |
0 |
0.000 |
| 53 |
70 |
|
I |
2 |
1 |
32135 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
6940 |
14.9 |
0.6 |
0.763 |
0 |
0 |
0 |
0.000 |
| 54 |
71 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7712 |
12.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.017 |
| 55 |
72 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8883 |
12.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
| 56 |
73 |
|
J |
2 |
1 |
32153 |
x |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32153 |
8.5 |
-0.2 |
0.338 |
0 |
0 |
0 |
0.000 |
| 57 |
74 |
|
C |
2 |
2 |
8883 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6940 |
8.5 |
0.3 |
0.775 |
0 |
0 |
0 |
0.000 |
75 |
|
G |
2 |
2 |
8899 |
◊ |
F |
x,y,z |
1_555 |
5 |
4 |
7712 |
7.7 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
| Average: |
8.1 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
| 58 |
76 |
|
[RAX]H:202 |
1 |
1 |
419 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
32135 |
8.4 |
0.3 |
0.436 |
0 |
0 |
0 |
0.000 |
| 59 |
77 |
|
H |
3 |
3 |
8291 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
8206 |
4.7 |
0.2 |
0.730 |
0 |
0 |
0 |
0.000 |
| 60 |
78 |
|
[AUF]E:1002 |
2 |
1 |
311 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8883 |
3.6 |
0.2 |
0.442 |
0 |
0 |
0 |
0.000 |
79 |
|
[AUF]A:201 |
1 |
1 |
310 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8899 |
0.2 |
0.0 |
0.410 |
0 |
0 |
0 |
0.000 |
| Average: |
1.9 |
0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
| 61 |
80 |
|
[SO4]H:201 |
1 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
8899 |
3.6 |
-0.5 |
0.788 |
0 |
0 |
0 |
0.005 |
| 62 |
81 |
|
[RAX]G:202 |
1 |
1 |
424 |
f |
I |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
32135 |
3.4 |
-0.2 |
0.230 |
0 |
0 |
0 |
0.100 |
| 63 |
82 |
|
[RAX]H:202 |
1 |
1 |
419 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
32153 |
3.1 |
-0.1 |
0.332 |
0 |
0 |
0 |
0.000 |
| 64 |
83 |
|
I |
3 |
1 |
32135 |
x |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32135 |
2.9 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
|