## |
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 |
136 |
36 |
11418 |
◊ |
A |
x,y,z |
1_555 |
146 |
37 |
11515 |
1466.1 |
-24.9 |
0.050 |
11 |
10 |
1 |
0.458 |
2 |
|
D |
138 |
38 |
11508 |
◊ |
B |
x,y,z |
1_555 |
129 |
37 |
11516 |
1426.9 |
-26.6 |
0.023 |
7 |
9 |
1 |
0.458 |
Average: |
1446.5 |
-25.7 |
0.037 |
9 |
10 |
1 |
0.458 |
2 |
3 |
|
D |
112 |
32 |
11508 |
◊ |
C |
x,y,z |
1_555 |
109 |
31 |
11418 |
1129.7 |
-0.0 |
0.924 |
7 |
17 |
0 |
0.000 |
4 |
|
B |
106 |
30 |
11516 |
◊ |
A |
x,y,z |
1_555 |
115 |
31 |
11515 |
1111.7 |
0.8 |
0.942 |
8 |
20 |
0 |
0.000 |
Average: |
1120.7 |
0.4 |
0.933 |
8 |
19 |
0 |
0.000 |
3 |
5 |
|
[7A4]D:502 |
24 |
1 |
565 |
f |
D |
x,y,z |
1_555 |
51 |
18 |
11508 |
373.7 |
-10.7 |
0.386 |
2 |
0 |
0 |
0.152 |
4 |
6 |
|
[7A4]A:502 |
25 |
1 |
561 |
f |
A |
x,y,z |
1_555 |
54 |
19 |
11515 |
369.7 |
-10.7 |
0.394 |
1 |
0 |
0 |
0.142 |
5 |
7 |
|
D |
28 |
8 |
11508 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
10 |
11516 |
285.8 |
-0.1 |
0.762 |
0 |
1 |
0 |
0.000 |
6 |
8 |
|
[7A4]A:501 |
24 |
1 |
558 |
f |
A |
x,y,z |
1_555 |
43 |
9 |
11515 |
282.6 |
-5.6 |
0.641 |
0 |
0 |
0 |
0.075 |
9 |
|
[7A4]D:501 |
24 |
1 |
561 |
f |
D |
x,y,z |
1_555 |
42 |
9 |
11508 |
281.9 |
-5.7 |
0.609 |
0 |
0 |
0 |
0.075 |
Average: |
282.2 |
-5.7 |
0.625 |
0 |
0 |
0 |
0.075 |
7 |
10 |
|
D |
37 |
8 |
11508 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
31 |
7 |
11418 |
275.1 |
-2.8 |
0.542 |
2 |
3 |
0 |
0.000 |
8 |
11 |
|
B |
30 |
6 |
11516 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
9 |
11515 |
271.0 |
-2.4 |
0.582 |
1 |
3 |
0 |
0.000 |
9 |
12 |
|
D |
32 |
9 |
11508 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
9 |
11515 |
269.8 |
-3.2 |
0.438 |
1 |
1 |
0 |
0.000 |
13 |
|
D |
29 |
9 |
11508 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
25 |
7 |
11515 |
257.2 |
-4.5 |
0.290 |
0 |
2 |
0 |
0.000 |
Average: |
263.5 |
-3.8 |
0.364 |
1 |
2 |
0 |
0.000 |
10 |
14 |
|
[7A4]A:503 |
23 |
1 |
556 |
f |
C |
x,y,z |
1_555 |
34 |
9 |
11418 |
245.8 |
-7.2 |
0.519 |
0 |
0 |
0 |
0.092 |
11 |
15 |
|
[7A4]B:501 |
22 |
1 |
555 |
f |
B |
x,y,z |
1_555 |
37 |
8 |
11516 |
242.8 |
-6.1 |
0.571 |
0 |
0 |
0 |
0.080 |
12 |
16 |
|
A |
28 |
8 |
11515 |
x |
A |
x-1,y,z |
1_455 |
21 |
7 |
11515 |
207.3 |
-1.7 |
0.615 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[7A4]A:503 |
22 |
1 |
556 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
11515 |
200.3 |
-5.2 |
0.171 |
0 |
0 |
0 |
0.067 |
14 |
18 |
|
[7A4]B:501 |
22 |
1 |
555 |
◊ |
D |
x,y,z |
1_555 |
20 |
8 |
11508 |
199.9 |
-5.0 |
0.219 |
0 |
0 |
0 |
0.066 |
15 |
19 |
|
C |
25 |
8 |
11418 |
x |
C |
x-1,y,z |
1_455 |
21 |
5 |
11418 |
177.9 |
0.7 |
0.771 |
0 |
1 |
0 |
0.000 |
16 |
20 |
|
[7A4]D:501 |
17 |
1 |
561 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
11516 |
175.4 |
-4.3 |
0.346 |
0 |
0 |
0 |
0.056 |
21 |
|
[7A4]A:501 |
20 |
1 |
558 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
11418 |
170.0 |
-4.4 |
0.359 |
0 |
0 |
0 |
0.056 |
Average: |
172.7 |
-4.3 |
0.352 |
0 |
0 |
0 |
0.056 |
17 |
22 |
|
A |
18 |
8 |
11515 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
7 |
11516 |
141.3 |
2.9 |
0.927 |
0 |
1 |
0 |
0.000 |
18 |
23 |
|
[GOL]C:501 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
11418 |
119.6 |
-2.1 |
0.367 |
0 |
0 |
0 |
0.026 |
24 |
|
[GOL]B:502 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
11516 |
115.4 |
-1.5 |
0.364 |
0 |
0 |
0 |
0.026 |
Average: |
117.5 |
-1.8 |
0.365 |
0 |
0 |
0 |
0.026 |
19 |
25 |
|
[ACT]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
11516 |
111.1 |
-1.3 |
0.606 |
2 |
0 |
0 |
0.028 |
20 |
26 |
|
[DMS]A:506 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
11515 |
108.4 |
0.5 |
0.382 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[ACT]A:508 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
11515 |
107.6 |
-0.2 |
0.743 |
1 |
0 |
0 |
0.008 |
22 |
28 |
|
[ACT]D:503 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
11508 |
107.5 |
1.4 |
0.831 |
2 |
0 |
0 |
0.000 |
23 |
29 |
|
[ACT]B:503 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
11516 |
87.3 |
0.7 |
0.836 |
2 |
0 |
0 |
0.002 |
24 |
30 |
|
[ACT]A:507 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11515 |
82.5 |
-0.5 |
0.675 |
2 |
0 |
0 |
0.017 |
25 |
31 |
|
[ACT]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11515 |
77.9 |
-0.3 |
0.701 |
1 |
0 |
0 |
0.010 |
26 |
32 |
|
[ACT]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
11515 |
77.2 |
-1.4 |
0.512 |
0 |
0 |
0 |
0.018 |
27 |
33 |
|
[ACT]A:507 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11516 |
76.6 |
1.0 |
0.849 |
1 |
0 |
0 |
0.000 |
28 |
34 |
|
[GOL]C:501 |
5 |
1 |
220 |
f |
[7A4]A:503 |
x,y,z |
1_555 |
10 |
1 |
556 |
60.4 |
-0.4 |
0.764 |
0 |
0 |
0 |
0.005 |
29 |
35 |
|
[ACT]B:503 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
2 |
11508 |
56.2 |
-1.1 |
0.559 |
0 |
0 |
0 |
0.014 |
30 |
36 |
|
[GOL]B:502 |
4 |
1 |
214 |
f |
[7A4]B:501 |
x,y,z |
1_555 |
10 |
1 |
555 |
53.8 |
-1.2 |
0.547 |
0 |
0 |
0 |
0.016 |
31 |
37 |
|
D |
7 |
2 |
11508 |
◊ |
[DMS]A:506 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
209 |
47.8 |
1.0 |
0.325 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[7A4]A:502 |
13 |
1 |
561 |
f |
[7A4]A:501 |
x,y,z |
1_555 |
5 |
1 |
558 |
46.9 |
-1.6 |
0.773 |
0 |
0 |
0 |
0.020 |
39 |
|
[7A4]D:502 |
11 |
1 |
565 |
f |
[7A4]D:501 |
x,y,z |
1_555 |
2 |
1 |
561 |
38.2 |
-1.1 |
0.625 |
0 |
0 |
0 |
0.020 |
Average: |
42.6 |
-1.3 |
0.699 |
0 |
0 |
0 |
0.020 |
33 |
40 |
|
D |
7 |
2 |
11508 |
◊ |
[ACT]A:504 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
184 |
43.5 |
0.5 |
0.816 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[7A4]D:502 |
2 |
1 |
565 |
◊ |
[7A4]B:501 |
x,y,z |
1_555 |
5 |
1 |
555 |
35.6 |
-1.1 |
0.579 |
0 |
0 |
0 |
0.015 |
35 |
42 |
|
D |
10 |
3 |
11508 |
x |
D |
x-1,y,z |
1_455 |
5 |
3 |
11508 |
35.2 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[DMS]A:506 |
3 |
1 |
209 |
f |
[ACT]A:504 |
x,y,z |
1_555 |
2 |
1 |
184 |
31.8 |
0.2 |
0.319 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[7A4]A:503 |
5 |
1 |
556 |
◊ |
[7A4]A:502 |
x,y,z |
1_555 |
2 |
1 |
561 |
29.1 |
-0.6 |
0.687 |
0 |
0 |
0 |
0.008 |
38 |
45 |
|
[7A4]A:502 |
4 |
1 |
561 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
11418 |
24.6 |
-1.1 |
0.258 |
0 |
0 |
0 |
0.015 |
46 |
|
[7A4]D:502 |
1 |
1 |
565 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11516 |
8.8 |
-0.5 |
0.252 |
0 |
0 |
0 |
0.015 |
Average: |
16.7 |
-0.8 |
0.255 |
0 |
0 |
0 |
0.015 |
39 |
47 |
|
[GOL]C:501 |
3 |
1 |
220 |
◊ |
[7A4]A:502 |
x,y,z |
1_555 |
2 |
1 |
561 |
22.5 |
-0.2 |
0.547 |
0 |
0 |
0 |
0.003 |
40 |
48 |
|
D |
2 |
1 |
11508 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11515 |
20.8 |
1.3 |
0.947 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[GOL]B:502 |
3 |
1 |
214 |
◊ |
[7A4]D:502 |
x,y,z |
1_555 |
3 |
1 |
565 |
20.6 |
-0.3 |
0.601 |
0 |
0 |
0 |
0.004 |
42 |
50 |
|
A |
2 |
1 |
11515 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
11418 |
10.2 |
-0.2 |
0.515 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
D |
1 |
1 |
11508 |
◊ |
[ACT]A:505 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
184 |
4.8 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
[GOL]C:501 |
1 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11515 |
0.1 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
|