| ## |
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 |
|
O |
184 |
57 |
11577 |
◊ |
P |
x,y,z |
1_555 |
194 |
55 |
11558 |
1692.4 |
-24.3 |
0.033 |
16 |
3 |
0 |
0.983 |
| 2 |
2 |
|
B |
190 |
55 |
11534 |
◊ |
A |
x,y,z |
1_555 |
190 |
58 |
11636 |
1678.8 |
-24.4 |
0.048 |
14 |
3 |
0 |
0.959 |
3 |
|
D |
194 |
56 |
11501 |
◊ |
C |
x,y,z |
1_555 |
180 |
54 |
11757 |
1668.3 |
-25.1 |
0.039 |
13 |
3 |
0 |
0.959 |
4 |
|
I |
189 |
53 |
11463 |
◊ |
H |
x,y,z |
1_555 |
178 |
54 |
11692 |
1649.1 |
-25.4 |
0.030 |
12 |
1 |
0 |
0.959 |
| Average: |
1665.4 |
-25.0 |
0.039 |
13 |
2 |
0 |
0.959 |
| 3 |
5 |
|
N |
67 |
26 |
6106 |
◊ |
B |
x,y,z |
1_555 |
65 |
18 |
11534 |
608.5 |
-7.0 |
0.422 |
3 |
0 |
0 |
0.000 |
6 |
|
M |
67 |
27 |
6135 |
◊ |
D |
x,y,z |
1_555 |
62 |
19 |
11501 |
606.6 |
-6.5 |
0.467 |
3 |
0 |
0 |
0.000 |
7 |
|
E |
64 |
27 |
6139 |
◊ |
I |
x,y,z |
1_555 |
63 |
18 |
11463 |
583.3 |
-5.8 |
0.528 |
4 |
0 |
0 |
0.000 |
| Average: |
599.5 |
-6.4 |
0.472 |
3 |
0 |
0 |
0.000 |
| 4 |
8 |
|
J |
62 |
25 |
6056 |
◊ |
P |
x,y,z |
1_555 |
58 |
16 |
11558 |
588.4 |
-5.9 |
0.450 |
3 |
1 |
0 |
0.000 |
| 5 |
9 |
|
K |
44 |
10 |
1334 |
◊ |
H |
x,y,z |
1_555 |
54 |
15 |
11692 |
409.6 |
-2.2 |
0.614 |
6 |
0 |
0 |
0.000 |
10 |
|
F |
46 |
10 |
1338 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
11636 |
409.1 |
-1.9 |
0.632 |
5 |
0 |
0 |
0.000 |
11 |
|
G |
47 |
10 |
1323 |
◊ |
C |
x,y,z |
1_555 |
52 |
14 |
11757 |
403.5 |
-1.4 |
0.685 |
7 |
0 |
0 |
0.000 |
| Average: |
407.4 |
-1.8 |
0.644 |
6 |
0 |
0 |
0.000 |
| 6 |
12 |
|
L |
47 |
10 |
1319 |
◊ |
O |
x,y,z |
1_555 |
54 |
15 |
11577 |
405.3 |
-1.8 |
0.637 |
6 |
0 |
0 |
0.000 |
| 7 |
13 |
|
D |
42 |
14 |
11501 |
◊ |
O |
x,y,z-1 |
1_554 |
42 |
12 |
11577 |
403.9 |
-0.1 |
0.702 |
8 |
0 |
0 |
0.000 |
| 8 |
14 |
|
B |
34 |
11 |
11534 |
◊ |
H |
x,y,z |
1_555 |
34 |
9 |
11692 |
336.3 |
-0.2 |
0.678 |
7 |
0 |
0 |
0.000 |
| 9 |
15 |
|
C |
34 |
10 |
11757 |
◊ |
O |
x-1,y,z |
1_455 |
34 |
10 |
11577 |
318.2 |
-1.2 |
0.645 |
6 |
0 |
0 |
0.000 |
| 10 |
16 |
|
E |
33 |
14 |
6139 |
◊ |
M |
x-1,y,z |
1_455 |
33 |
14 |
6135 |
312.0 |
-3.8 |
0.577 |
3 |
0 |
0 |
0.000 |
| 11 |
17 |
|
J |
35 |
17 |
6056 |
◊ |
N |
x,y-1,z |
1_545 |
34 |
13 |
6106 |
310.1 |
-3.8 |
0.636 |
4 |
0 |
0 |
0.000 |
| 12 |
18 |
|
I |
35 |
12 |
11463 |
◊ |
A |
x,y,z-1 |
1_554 |
36 |
13 |
11636 |
301.8 |
1.4 |
0.809 |
4 |
0 |
0 |
0.000 |
| 13 |
19 |
|
P |
31 |
12 |
11558 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
11636 |
295.2 |
-1.1 |
0.590 |
5 |
0 |
0 |
0.000 |
| 14 |
20 |
|
A |
35 |
12 |
11636 |
◊ |
H |
x-1,y,z+1 |
1_456 |
35 |
12 |
11692 |
288.4 |
-0.2 |
0.736 |
6 |
2 |
0 |
0.000 |
| 15 |
21 |
|
A |
29 |
8 |
11636 |
◊ |
O |
x-1,y,z |
1_455 |
30 |
8 |
11577 |
270.5 |
2.9 |
0.913 |
5 |
0 |
0 |
0.000 |
| 16 |
22 |
|
J |
27 |
13 |
6056 |
◊ |
D |
x,y,z |
1_555 |
27 |
10 |
11501 |
248.1 |
-2.6 |
0.495 |
1 |
4 |
0 |
0.000 |
| 17 |
23 |
|
C |
31 |
9 |
11757 |
◊ |
H |
x,y-1,z |
1_545 |
29 |
8 |
11692 |
244.5 |
0.6 |
0.793 |
4 |
0 |
0 |
0.000 |
| 18 |
24 |
|
B |
31 |
11 |
11534 |
◊ |
O |
x-1,y+1,z |
1_465 |
28 |
10 |
11577 |
241.6 |
0.8 |
0.701 |
4 |
0 |
0 |
0.000 |
| 19 |
25 |
|
D |
23 |
9 |
11501 |
◊ |
H |
x,y,z |
1_555 |
17 |
6 |
11692 |
183.5 |
-0.6 |
0.567 |
3 |
0 |
0 |
0.000 |
| 20 |
26 |
|
F |
18 |
6 |
1338 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
11534 |
179.8 |
-2.8 |
0.246 |
1 |
0 |
0 |
0.000 |
27 |
|
G |
18 |
5 |
1323 |
◊ |
D |
x,y,z |
1_555 |
23 |
6 |
11501 |
174.7 |
-2.7 |
0.274 |
1 |
0 |
0 |
0.000 |
28 |
|
K |
18 |
5 |
1334 |
◊ |
I |
x,y,z |
1_555 |
20 |
6 |
11463 |
171.0 |
-2.7 |
0.285 |
1 |
0 |
0 |
0.000 |
| Average: |
175.2 |
-2.7 |
0.268 |
1 |
0 |
0 |
0.000 |
| 21 |
29 |
|
L |
21 |
6 |
1319 |
◊ |
P |
x,y,z |
1_555 |
20 |
6 |
11558 |
179.4 |
-2.4 |
0.326 |
2 |
0 |
0 |
0.000 |
| 22 |
30 |
|
M |
20 |
6 |
6135 |
◊ |
P |
x,y,z |
1_555 |
19 |
7 |
11558 |
174.6 |
-0.9 |
0.593 |
2 |
0 |
0 |
0.000 |
| 23 |
31 |
|
I |
14 |
4 |
11463 |
◊ |
C |
x-1,y+1,z |
1_465 |
15 |
7 |
11757 |
143.2 |
-1.4 |
0.432 |
1 |
0 |
0 |
0.000 |
| 24 |
32 |
|
I |
16 |
6 |
11463 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
11501 |
128.4 |
0.7 |
0.726 |
0 |
1 |
0 |
0.000 |
| 25 |
33 |
|
B |
14 |
7 |
11534 |
◊ |
P |
x-1,y+1,z |
1_465 |
11 |
3 |
11558 |
105.1 |
0.8 |
0.719 |
1 |
0 |
0 |
0.000 |
| 26 |
34 |
|
J |
10 |
6 |
6056 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
11757 |
103.7 |
-1.1 |
0.505 |
1 |
0 |
0 |
0.000 |
| 27 |
35 |
|
F |
10 |
3 |
1338 |
◊ |
J |
x-1,y+1,z |
1_465 |
11 |
6 |
6056 |
98.6 |
-1.3 |
0.405 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
N |
10 |
7 |
6106 |
◊ |
O |
x-1,y+1,z |
1_465 |
9 |
3 |
11577 |
97.4 |
-0.8 |
0.564 |
3 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[ACT]P:301 |
4 |
1 |
182 |
◊ |
P |
x,y,z |
1_555 |
15 |
7 |
11558 |
95.6 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
G |
9 |
3 |
1323 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
6139 |
88.6 |
0.1 |
0.739 |
1 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[ACT]A:501 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
11636 |
76.9 |
-0.9 |
0.615 |
2 |
0 |
0 |
0.089 |
| 32 |
40 |
|
[ACT]O:301 |
4 |
1 |
183 |
f |
O |
x,y,z |
1_555 |
11 |
4 |
11577 |
73.4 |
0.7 |
0.831 |
2 |
0 |
0 |
0.030 |
| 33 |
41 |
|
[EDO]A:503 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
11636 |
66.6 |
1.8 |
0.281 |
0 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[ACT]P:301 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11636 |
66.4 |
-0.2 |
0.725 |
0 |
0 |
0 |
0.011 |
| 35 |
43 |
|
[ACT]A:502 |
4 |
1 |
184 |
f |
O |
x-1,y,z |
1_455 |
12 |
4 |
11577 |
62.5 |
-0.7 |
0.615 |
1 |
0 |
0 |
0.211 |
| 36 |
44 |
|
[ACT]A:502 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
11636 |
61.9 |
0.8 |
0.838 |
3 |
0 |
0 |
0.000 |
45 |
|
[ACT]H:301 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
11692 |
57.9 |
0.6 |
0.812 |
3 |
0 |
0 |
0.000 |
| Average: |
59.9 |
0.7 |
0.825 |
3 |
0 |
0 |
0.000 |
| 37 |
46 |
|
E |
5 |
1 |
6139 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
11501 |
61.4 |
-0.2 |
0.562 |
1 |
0 |
0 |
0.000 |
| 38 |
47 |
|
[ACT]C:303 |
4 |
1 |
185 |
f |
H |
x,y-1,z |
1_545 |
12 |
4 |
11692 |
61.4 |
-0.9 |
0.592 |
1 |
0 |
0 |
0.100 |
| 39 |
48 |
|
I |
6 |
4 |
11463 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
2 |
11534 |
59.5 |
0.6 |
0.750 |
0 |
0 |
0 |
0.000 |
| 40 |
49 |
|
P |
8 |
6 |
11558 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11501 |
59.3 |
-0.1 |
0.562 |
0 |
0 |
0 |
0.000 |
| 41 |
50 |
|
[ACT]C:303 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11757 |
59.1 |
0.7 |
0.826 |
3 |
0 |
0 |
0.000 |
| 42 |
51 |
|
[ACT]C:301 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11757 |
58.9 |
-0.4 |
0.631 |
1 |
0 |
0 |
0.035 |
| 43 |
52 |
|
C |
13 |
4 |
11757 |
f |
[ACT]H:301 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
58.0 |
-0.7 |
0.604 |
1 |
0 |
0 |
0.051 |
| 44 |
53 |
|
M |
4 |
2 |
6135 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
11463 |
52.8 |
0.1 |
0.608 |
1 |
0 |
0 |
0.000 |
| 45 |
54 |
|
C |
4 |
1 |
11757 |
◊ |
N |
x,y-1,z |
1_545 |
5 |
2 |
6106 |
51.6 |
0.2 |
0.677 |
1 |
0 |
0 |
0.000 |
| 46 |
55 |
|
D |
4 |
1 |
11501 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
11534 |
50.7 |
0.7 |
0.803 |
0 |
0 |
0 |
0.000 |
| 47 |
56 |
|
[EDO]A:503 |
3 |
1 |
183 |
f |
O |
x-1,y,z |
1_455 |
7 |
2 |
11577 |
45.9 |
1.6 |
0.957 |
1 |
0 |
0 |
0.000 |
| 48 |
57 |
|
[EDO]A:503 |
4 |
1 |
183 |
f |
[ACT]O:301 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
44.2 |
0.6 |
0.848 |
1 |
0 |
0 |
0.000 |
| 49 |
58 |
|
N |
4 |
2 |
6106 |
◊ |
P |
x-1,y+1,z |
1_465 |
7 |
3 |
11558 |
43.1 |
0.9 |
0.685 |
1 |
0 |
0 |
0.000 |
| 50 |
59 |
|
O |
5 |
2 |
11577 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11636 |
41.1 |
0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
| 51 |
60 |
|
M |
4 |
2 |
6135 |
◊ |
H |
x,y,z |
1_555 |
6 |
1 |
11692 |
40.1 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| 52 |
61 |
|
[ACT]C:301 |
4 |
1 |
184 |
f |
[ACT]H:301 |
x,y-1,z |
1_545 |
3 |
1 |
185 |
38.0 |
-0.3 |
0.747 |
0 |
0 |
0 |
0.014 |
| 53 |
62 |
|
[ACT]C:302 |
3 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
4 |
1 |
1323 |
37.0 |
0.0 |
0.726 |
0 |
0 |
0 |
0.000 |
| 54 |
63 |
|
C |
5 |
2 |
11757 |
◊ |
O |
x,y,z-1 |
1_554 |
3 |
3 |
11577 |
35.5 |
0.6 |
0.717 |
0 |
0 |
0 |
0.000 |
| 55 |
64 |
|
I |
3 |
2 |
11463 |
◊ |
N |
x,y,z-1 |
1_554 |
4 |
1 |
6106 |
34.1 |
0.3 |
0.635 |
1 |
0 |
0 |
0.000 |
| 56 |
65 |
|
[ACT]C:302 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
11757 |
32.9 |
0.6 |
0.766 |
0 |
0 |
0 |
0.000 |
| 57 |
66 |
|
G |
4 |
2 |
1323 |
◊ |
O |
x-1,y,z |
1_455 |
3 |
2 |
11577 |
31.1 |
0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
| 58 |
67 |
|
C |
3 |
2 |
11757 |
◊ |
L |
x-1,y,z |
1_455 |
4 |
2 |
1319 |
30.9 |
0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
| 59 |
68 |
|
E |
3 |
1 |
6139 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
11534 |
28.6 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
| 60 |
69 |
|
B |
3 |
2 |
11534 |
◊ |
J |
x-1,y+1,z |
1_465 |
5 |
1 |
6056 |
28.5 |
0.1 |
0.660 |
1 |
0 |
0 |
0.000 |
| 61 |
70 |
|
P |
2 |
1 |
11558 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
11757 |
26.8 |
1.0 |
0.825 |
1 |
0 |
0 |
0.000 |
| 62 |
71 |
|
K |
5 |
1 |
1334 |
◊ |
N |
x,y,z-1 |
1_554 |
1 |
1 |
6106 |
26.3 |
-0.3 |
0.279 |
0 |
0 |
0 |
0.000 |
| 63 |
72 |
|
[ACT]A:502 |
2 |
1 |
184 |
f |
[ACT]O:301 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
25.8 |
-0.7 |
0.586 |
0 |
0 |
0 |
0.124 |
| 64 |
73 |
|
G |
2 |
1 |
1323 |
◊ |
L |
x-1,y,z |
1_455 |
2 |
1 |
1319 |
25.4 |
-0.8 |
0.242 |
0 |
0 |
0 |
0.000 |
| 65 |
74 |
|
B |
5 |
2 |
11534 |
◊ |
D |
x-1,y+1,z+1 |
1_466 |
2 |
2 |
11501 |
24.9 |
-0.4 |
0.325 |
0 |
0 |
0 |
0.000 |
| 66 |
75 |
|
A |
7 |
4 |
11636 |
◊ |
[ACT]O:301 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
24.4 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
| 67 |
76 |
|
[ACT]C:301 |
3 |
1 |
184 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
11692 |
22.6 |
0.7 |
0.819 |
1 |
0 |
0 |
0.000 |
| 68 |
77 |
|
[ACT]C:303 |
3 |
1 |
185 |
◊ |
[ACT]C:301 |
x,y,z |
1_555 |
1 |
1 |
184 |
18.6 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.000 |
| 69 |
78 |
|
[ACT]C:303 |
3 |
1 |
185 |
◊ |
[ACT]H:301 |
x,y-1,z |
1_545 |
2 |
1 |
185 |
18.5 |
-0.6 |
0.586 |
0 |
0 |
0 |
0.000 |
| 70 |
79 |
|
H |
2 |
2 |
11692 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11636 |
17.1 |
0.3 |
0.646 |
0 |
0 |
0 |
0.000 |
| 71 |
80 |
|
P |
1 |
1 |
11558 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11534 |
15.8 |
0.3 |
0.788 |
0 |
0 |
0 |
0.000 |
81 |
|
I |
3 |
1 |
11463 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11534 |
10.6 |
0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
| Average: |
13.2 |
0.3 |
0.768 |
0 |
0 |
0 |
0.000 |
| 72 |
82 |
|
L |
3 |
1 |
1319 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
6135 |
15.3 |
-0.4 |
0.285 |
0 |
0 |
0 |
0.000 |
| 73 |
83 |
|
J |
1 |
1 |
6056 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11534 |
12.2 |
0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
| 74 |
84 |
|
[EDO]A:503 |
2 |
1 |
183 |
f |
[ACT]A:502 |
x,y,z |
1_555 |
3 |
1 |
184 |
11.2 |
0.2 |
0.829 |
0 |
0 |
0 |
0.000 |
| 75 |
85 |
|
C |
1 |
1 |
11757 |
◊ |
P |
x-1,y,z |
1_455 |
1 |
1 |
11558 |
11.1 |
0.5 |
0.882 |
0 |
0 |
0 |
0.000 |
| 76 |
86 |
|
E |
1 |
1 |
6139 |
◊ |
L |
x-1,y,z |
1_455 |
1 |
1 |
1319 |
5.7 |
-0.0 |
0.456 |
0 |
0 |
0 |
0.000 |
| 77 |
87 |
|
H |
1 |
1 |
11692 |
◊ |
C |
x-1,y+1,z |
1_465 |
1 |
1 |
11757 |
4.5 |
-0.0 |
0.513 |
0 |
0 |
0 |
0.000 |
| 78 |
88 |
|
A |
1 |
1 |
11636 |
◊ |
M |
x-1,y,z+1 |
1_456 |
1 |
1 |
6135 |
4.0 |
0.1 |
0.758 |
0 |
0 |
0 |
0.000 |
| 79 |
89 |
|
J |
2 |
2 |
6056 |
◊ |
O |
x-1,y,z |
1_455 |
2 |
1 |
11577 |
2.9 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
| 80 |
90 |
|
D |
1 |
1 |
11501 |
◊ |
O |
x-1,y,z |
1_455 |
1 |
1 |
11577 |
0.1 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|