## |
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 |
|
C |
103 |
10 |
2690 |
◊ |
A |
x,y,z |
1_555 |
118 |
42 |
27580 |
985.4 |
-7.2 |
0.488 |
16 |
0 |
0 |
0.323 |
2 |
|
F |
101 |
10 |
2671 |
◊ |
D |
x,y,z |
1_555 |
122 |
42 |
27436 |
967.0 |
-5.5 |
0.565 |
13 |
0 |
0 |
0.323 |
Average: |
976.2 |
-6.4 |
0.526 |
15 |
0 |
0 |
0.323 |
2 |
3 |
|
D |
94 |
24 |
27436 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
100 |
27 |
27436 |
850.8 |
3.8 |
0.707 |
14 |
6 |
0 |
0.000 |
3 |
4 |
|
D |
91 |
22 |
27436 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
86 |
21 |
27580 |
788.2 |
-4.8 |
0.244 |
8 |
1 |
0 |
0.000 |
4 |
5 |
|
D |
81 |
25 |
27436 |
◊ |
A |
-x+5/2,-y-1,z-1/2 |
2_744 |
78 |
23 |
27580 |
713.3 |
-2.3 |
0.384 |
4 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
66 |
6 |
1911 |
◊ |
A |
x,y,z |
1_555 |
75 |
25 |
27580 |
642.7 |
-11.5 |
0.188 |
14 |
0 |
0 |
0.444 |
7 |
|
E |
68 |
6 |
1885 |
◊ |
D |
x,y,z |
1_555 |
78 |
26 |
27436 |
636.2 |
-10.6 |
0.278 |
12 |
0 |
0 |
0.444 |
Average: |
639.4 |
-11.1 |
0.233 |
13 |
0 |
0 |
0.444 |
6 |
8 |
|
D |
67 |
24 |
27436 |
◊ |
A |
x,y,z |
1_555 |
67 |
17 |
27580 |
554.9 |
3.0 |
0.741 |
4 |
6 |
0 |
0.000 |
7 |
9 |
|
A |
44 |
13 |
27580 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
50 |
15 |
27436 |
402.9 |
-3.3 |
0.233 |
4 |
2 |
0 |
0.000 |
8 |
10 |
|
F |
38 |
9 |
2671 |
◊ |
E |
x,y,z |
1_555 |
42 |
8 |
1885 |
364.8 |
-5.1 |
0.564 |
22 |
0 |
0 |
1.000 |
11 |
|
C |
40 |
9 |
2690 |
◊ |
B |
x,y,z |
1_555 |
39 |
8 |
1911 |
364.4 |
-4.7 |
0.576 |
21 |
0 |
0 |
1.000 |
Average: |
364.6 |
-4.9 |
0.570 |
22 |
0 |
0 |
1.000 |
9 |
12 |
|
[SUC]D:877 |
21 |
1 |
470 |
f |
D |
x,y,z |
1_555 |
42 |
17 |
27436 |
306.5 |
1.8 |
0.374 |
7 |
0 |
0 |
0.044 |
13 |
|
[SUC]A:877 |
21 |
1 |
473 |
f |
A |
x,y,z |
1_555 |
40 |
16 |
27580 |
301.3 |
1.7 |
0.372 |
8 |
0 |
0 |
0.044 |
Average: |
303.9 |
1.8 |
0.373 |
8 |
0 |
0 |
0.044 |
10 |
14 |
|
[23T]D:880 |
27 |
1 |
547 |
f |
D |
x,y,z |
1_555 |
46 |
20 |
27436 |
301.9 |
-1.1 |
0.485 |
11 |
0 |
0 |
0.167 |
15 |
|
[23T]A:881 |
27 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
44 |
20 |
27580 |
300.7 |
-1.2 |
0.447 |
8 |
0 |
0 |
0.167 |
Average: |
301.3 |
-1.2 |
0.466 |
10 |
0 |
0 |
0.167 |
11 |
16 |
|
[6OG]C:3 |
22 |
1 |
512 |
◊ |
A |
x,y,z |
1_555 |
35 |
14 |
27580 |
221.0 |
-1.8 |
0.299 |
4 |
0 |
0 |
0.081 |
17 |
|
[6OG]F:3 |
22 |
1 |
513 |
◊ |
D |
x,y,z |
1_555 |
35 |
14 |
27436 |
220.3 |
-1.7 |
0.309 |
2 |
0 |
0 |
0.081 |
Average: |
220.6 |
-1.8 |
0.304 |
3 |
0 |
0 |
0.081 |
12 |
18 |
|
D |
25 |
12 |
27436 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
28 |
9 |
27580 |
217.6 |
5.5 |
0.934 |
2 |
1 |
0 |
0.000 |
13 |
19 |
|
[DDG]E:29 |
15 |
1 |
461 |
◊ |
D |
x,y,z |
1_555 |
22 |
13 |
27436 |
185.3 |
2.4 |
0.500 |
3 |
0 |
0 |
0.000 |
20 |
|
[DDG]B:29 |
15 |
1 |
458 |
◊ |
A |
x,y,z |
1_555 |
21 |
12 |
27580 |
182.3 |
2.4 |
0.519 |
3 |
0 |
0 |
0.000 |
Average: |
183.8 |
2.4 |
0.510 |
3 |
0 |
0 |
0.000 |
14 |
21 |
|
[6OG]F:3 |
19 |
1 |
513 |
cf |
F |
x,y,z |
1_555 |
18 |
2 |
2671 |
168.1 |
2.4 |
0.696 |
0 |
0 |
0 |
0.000 |
22 |
|
[6OG]C:3 |
18 |
1 |
512 |
cf |
C |
x,y,z |
1_555 |
18 |
2 |
2690 |
167.0 |
2.4 |
0.698 |
0 |
0 |
0 |
0.000 |
Average: |
167.5 |
2.4 |
0.697 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
B |
21 |
3 |
1911 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
18 |
3 |
1885 |
152.5 |
0.8 |
0.749 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
A |
16 |
6 |
27580 |
x |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
17 |
5 |
27580 |
128.7 |
2.2 |
0.809 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
C |
11 |
1 |
2690 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
14 |
1 |
2671 |
100.8 |
1.3 |
0.716 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[DDG]E:29 |
16 |
1 |
461 |
◊ |
[23T]D:880 |
x,y,z |
1_555 |
17 |
1 |
547 |
93.0 |
2.1 |
0.486 |
0 |
0 |
0 |
0.000 |
27 |
|
[DDG]B:29 |
16 |
1 |
458 |
◊ |
[23T]A:881 |
x,y,z |
1_555 |
17 |
1 |
541 |
92.0 |
2.3 |
0.493 |
0 |
0 |
0 |
0.000 |
Average: |
92.5 |
2.2 |
0.489 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[DDG]B:29 |
13 |
1 |
458 |
◊ |
C |
x,y,z |
1_555 |
13 |
2 |
2690 |
84.3 |
1.6 |
0.495 |
3 |
0 |
0 |
0.000 |
29 |
|
[DDG]E:29 |
13 |
1 |
461 |
◊ |
F |
x,y,z |
1_555 |
13 |
2 |
2671 |
84.0 |
1.5 |
0.486 |
3 |
0 |
0 |
0.000 |
Average: |
84.1 |
1.5 |
0.490 |
3 |
0 |
0 |
0.000 |
20 |
30 |
|
[DDG]B:29 |
13 |
1 |
458 |
cf |
B |
x,y,z |
1_555 |
12 |
1 |
1911 |
82.6 |
1.4 |
0.484 |
0 |
0 |
0 |
0.000 |
31 |
|
[DDG]E:29 |
13 |
1 |
461 |
cf |
E |
x,y,z |
1_555 |
11 |
1 |
1885 |
82.2 |
1.3 |
0.472 |
0 |
0 |
0 |
0.000 |
Average: |
82.4 |
1.4 |
0.478 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[SO4]D:879 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
27436 |
70.4 |
-9.3 |
0.866 |
3 |
0 |
0 |
0.295 |
22 |
33 |
|
[SO4]A:879 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
27580 |
64.4 |
-8.8 |
0.607 |
1 |
0 |
0 |
0.225 |
23 |
34 |
|
A |
9 |
5 |
27580 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
10 |
4 |
27580 |
63.6 |
-0.6 |
0.429 |
0 |
0 |
0 |
0.000 |
35 |
|
D |
7 |
4 |
27436 |
x |
D |
-x+3,y-1/2,-z-1/2 |
3_844 |
10 |
3 |
27436 |
51.1 |
-0.4 |
0.468 |
0 |
1 |
0 |
0.000 |
Average: |
57.3 |
-0.5 |
0.448 |
0 |
1 |
0 |
0.000 |
24 |
36 |
|
[6OG]F:3 |
4 |
1 |
513 |
◊ |
[23T]D:880 |
x,y,z |
1_555 |
5 |
1 |
547 |
51.5 |
-0.0 |
0.492 |
1 |
0 |
0 |
0.013 |
37 |
|
[6OG]C:3 |
3 |
1 |
512 |
◊ |
[23T]A:881 |
x,y,z |
1_555 |
5 |
1 |
541 |
51.1 |
-0.1 |
0.456 |
1 |
0 |
0 |
0.013 |
Average: |
51.3 |
-0.1 |
0.474 |
1 |
0 |
0 |
0.013 |
25 |
38 |
|
[SO4]A:880 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
27580 |
48.9 |
-5.1 |
0.928 |
2 |
0 |
0 |
0.146 |
26 |
39 |
|
C |
6 |
1 |
2690 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
1885 |
48.3 |
0.3 |
0.582 |
1 |
0 |
0 |
0.000 |
40 |
|
B |
7 |
2 |
1911 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
2671 |
43.4 |
-0.4 |
0.531 |
1 |
0 |
0 |
0.000 |
Average: |
45.8 |
-0.1 |
0.557 |
1 |
0 |
0 |
0.000 |
27 |
41 |
|
[MN]D:878 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
27436 |
46.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.088 |
42 |
|
[MN]A:878 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
27580 |
45.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
46.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.088 |
28 |
43 |
|
D |
3 |
1 |
27436 |
◊ |
[SO4]D:879 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
186 |
42.6 |
-3.8 |
0.972 |
1 |
0 |
0 |
0.000 |
29 |
44 |
|
[23T]D:880 |
4 |
1 |
547 |
f |
[MN]D:878 |
x,y,z |
1_555 |
1 |
1 |
123 |
40.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.092 |
45 |
|
[23T]A:881 |
4 |
1 |
541 |
f |
[MN]A:878 |
x,y,z |
1_555 |
1 |
1 |
123 |
40.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
40.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.092 |
30 |
46 |
|
[6OG]F:3 |
4 |
1 |
513 |
◊ |
[DDG]E:29 |
x,y,z |
1_555 |
5 |
1 |
461 |
31.1 |
0.2 |
0.380 |
0 |
0 |
0 |
0.000 |
47 |
|
[6OG]C:3 |
4 |
1 |
512 |
◊ |
[DDG]B:29 |
x,y,z |
1_555 |
5 |
1 |
458 |
30.3 |
0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
Average: |
30.7 |
0.1 |
0.382 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
[23T]D:880 |
6 |
1 |
547 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
2671 |
28.2 |
0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
49 |
|
[23T]A:881 |
5 |
1 |
541 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
2690 |
28.2 |
0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
Average: |
28.2 |
0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
B |
2 |
1 |
1911 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
27436 |
26.0 |
-0.6 |
0.425 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
2 |
1 |
27580 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
1885 |
13.3 |
0.6 |
0.787 |
0 |
0 |
0 |
0.000 |
Average: |
19.6 |
0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
33 |
52 |
|
[DDG]B:29 |
1 |
1 |
458 |
◊ |
[MN]A:878 |
x,y,z |
1_555 |
1 |
1 |
123 |
2.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[DDG]E:29 |
1 |
1 |
461 |
◊ |
[MN]D:878 |
x,y,z |
1_555 |
1 |
1 |
123 |
2.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
2.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
|