## |
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 |
68 |
21 |
9749 |
◊ |
A |
x,y-1,z |
1_545 |
69 |
17 |
10191 |
607.4 |
1.0 |
0.769 |
8 |
4 |
0 |
0.000 |
2 |
|
C |
51 |
16 |
9749 |
◊ |
A |
x-1,y,z |
1_455 |
63 |
19 |
10191 |
528.7 |
-0.3 |
0.680 |
6 |
1 |
0 |
0.000 |
Average: |
568.0 |
0.4 |
0.724 |
7 |
3 |
0 |
0.000 |
2 |
3 |
|
B |
58 |
19 |
10044 |
◊ |
A |
x,y-1,z |
1_545 |
71 |
18 |
10191 |
592.3 |
-1.0 |
0.640 |
11 |
0 |
0 |
0.000 |
3 |
4 |
|
H |
59 |
12 |
2849 |
◊ |
G |
x,y,z |
1_555 |
59 |
12 |
2841 |
571.0 |
-4.5 |
0.648 |
39 |
0 |
0 |
1.000 |
4 |
5 |
|
F |
53 |
11 |
2679 |
◊ |
E |
x,y,z |
1_555 |
52 |
11 |
2614 |
533.2 |
-5.6 |
0.602 |
35 |
0 |
0 |
0.987 |
5 |
6 |
|
C |
56 |
20 |
9749 |
◊ |
D |
x-1,y,z |
1_455 |
53 |
19 |
9574 |
466.0 |
-3.8 |
0.430 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
D |
43 |
16 |
9574 |
◊ |
B |
x,y,z-1 |
1_554 |
47 |
19 |
10044 |
392.9 |
-2.5 |
0.468 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
E |
41 |
5 |
2614 |
◊ |
B |
x,y,z |
1_555 |
40 |
15 |
10044 |
361.1 |
-3.1 |
0.581 |
7 |
0 |
0 |
0.205 |
8 |
9 |
|
G |
43 |
5 |
2841 |
◊ |
C |
x,y,z |
1_555 |
37 |
13 |
9749 |
351.7 |
-1.6 |
0.690 |
7 |
0 |
0 |
0.352 |
10 |
|
H |
35 |
5 |
2849 |
◊ |
D |
x,y,z |
1_555 |
35 |
14 |
9574 |
333.6 |
-4.1 |
0.497 |
6 |
0 |
0 |
0.352 |
Average: |
342.6 |
-2.8 |
0.593 |
7 |
0 |
0 |
0.352 |
9 |
11 |
|
F |
39 |
4 |
2679 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
10191 |
343.1 |
-2.0 |
0.643 |
6 |
0 |
0 |
0.011 |
10 |
12 |
|
B |
37 |
11 |
10044 |
◊ |
D |
x-1,y,z+1 |
1_456 |
32 |
15 |
9574 |
301.3 |
-1.6 |
0.393 |
2 |
0 |
0 |
0.000 |
13 |
|
B |
22 |
8 |
10044 |
◊ |
D |
x,y-1,z+1 |
1_546 |
19 |
8 |
9574 |
163.8 |
-2.6 |
0.288 |
0 |
0 |
0 |
0.000 |
Average: |
232.6 |
-2.1 |
0.340 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
34 |
9 |
10044 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
10191 |
292.2 |
-3.0 |
0.307 |
0 |
0 |
0 |
0.013 |
15 |
|
D |
25 |
5 |
9574 |
◊ |
C |
x,y,z |
1_555 |
25 |
6 |
9749 |
241.4 |
-0.4 |
0.634 |
0 |
0 |
0 |
0.013 |
Average: |
266.8 |
-1.7 |
0.471 |
0 |
0 |
0 |
0.013 |
12 |
16 |
|
C |
30 |
9 |
9749 |
◊ |
B |
x,y,z |
1_555 |
28 |
10 |
10044 |
275.7 |
-4.3 |
0.194 |
2 |
0 |
0 |
0.000 |
13 |
17 |
|
E |
29 |
7 |
2614 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
10191 |
253.1 |
-1.4 |
0.614 |
5 |
0 |
0 |
0.008 |
14 |
18 |
|
F |
28 |
7 |
2679 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
10044 |
226.1 |
-4.3 |
0.470 |
2 |
0 |
0 |
0.170 |
15 |
19 |
|
G |
22 |
8 |
2841 |
◊ |
D |
x,y,z |
1_555 |
23 |
10 |
9574 |
213.4 |
-2.5 |
0.501 |
6 |
0 |
0 |
0.240 |
20 |
|
H |
24 |
7 |
2849 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
9749 |
211.7 |
-0.9 |
0.639 |
4 |
0 |
0 |
0.240 |
Average: |
212.5 |
-1.7 |
0.570 |
5 |
0 |
0 |
0.240 |
16 |
21 |
|
C |
22 |
7 |
9749 |
◊ |
A |
x-1,y-1,z |
1_445 |
24 |
8 |
10191 |
200.3 |
0.3 |
0.637 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
G |
15 |
2 |
2841 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
10191 |
120.2 |
-1.0 |
0.569 |
2 |
0 |
0 |
0.000 |
18 |
23 |
|
F |
12 |
2 |
2679 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
9749 |
115.1 |
-1.0 |
0.486 |
2 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
10191 |
108.1 |
3.4 |
0.431 |
2 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]D:303 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
9574 |
98.7 |
2.1 |
0.256 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]A:304 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
10191 |
98.5 |
3.3 |
0.498 |
2 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]C:303 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
9749 |
96.7 |
3.1 |
0.313 |
5 |
0 |
0 |
0.000 |
23 |
28 |
|
G |
14 |
1 |
2841 |
◊ |
F |
x,y,z-1 |
1_554 |
17 |
1 |
2679 |
94.9 |
2.6 |
0.816 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
F |
12 |
3 |
2679 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
1 |
10191 |
93.0 |
1.4 |
0.779 |
3 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]D:305 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
9574 |
92.6 |
1.5 |
0.278 |
1 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]C:302 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
9749 |
91.2 |
2.2 |
0.404 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[EDO]B:302 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
10044 |
90.0 |
2.2 |
0.402 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
E |
10 |
4 |
2614 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
2 |
10191 |
89.7 |
2.0 |
0.816 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]D:302 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
9574 |
88.8 |
2.6 |
0.301 |
3 |
0 |
0 |
0.000 |
30 |
35 |
|
D |
16 |
7 |
9574 |
◊ |
[EDO]B:304 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
86.3 |
3.0 |
0.321 |
2 |
0 |
0 |
0.000 |
31 |
36 |
|
H |
6 |
2 |
2849 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
4 |
9574 |
82.8 |
-4.3 |
0.148 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[EDO]D:304 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
9574 |
82.6 |
2.3 |
0.280 |
1 |
0 |
0 |
0.000 |
33 |
38 |
|
[EDO]A:306 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
10191 |
82.0 |
2.0 |
0.383 |
1 |
0 |
0 |
0.000 |
34 |
39 |
|
[EDO]C:304 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
9749 |
80.2 |
2.7 |
0.524 |
2 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
10191 |
78.1 |
1.4 |
0.162 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[EDO]B:303 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
10044 |
77.6 |
1.2 |
0.678 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
F |
12 |
1 |
2679 |
◊ |
H |
x,y,z |
1_555 |
9 |
1 |
2849 |
77.4 |
3.0 |
0.836 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[EDO]D:306 |
4 |
1 |
185 |
f |
B |
x,y,z-1 |
1_554 |
10 |
4 |
10044 |
74.2 |
1.0 |
0.571 |
1 |
0 |
0 |
0.000 |
39 |
44 |
|
G |
13 |
1 |
2841 |
◊ |
E |
x,y,z |
1_555 |
9 |
1 |
2614 |
73.9 |
2.5 |
0.794 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
H |
10 |
1 |
2849 |
◊ |
E |
x,y,z |
1_555 |
10 |
1 |
2614 |
72.5 |
1.4 |
0.720 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[EDO]C:304 |
4 |
1 |
185 |
f |
D |
x-1,y,z |
1_455 |
10 |
5 |
9574 |
69.0 |
1.1 |
0.651 |
1 |
0 |
0 |
0.000 |
42 |
47 |
|
H |
11 |
1 |
2849 |
◊ |
F |
x,y,z-1 |
1_554 |
8 |
2 |
2679 |
67.2 |
1.5 |
0.727 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[ACT]B:305 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
10044 |
66.1 |
-0.6 |
0.637 |
0 |
0 |
0 |
0.019 |
44 |
49 |
|
[EDO]A:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
10191 |
65.9 |
0.9 |
0.527 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[ACT]H:101 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9749 |
64.0 |
-0.6 |
0.598 |
1 |
0 |
0 |
0.031 |
46 |
51 |
|
H |
9 |
2 |
2849 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
10191 |
62.2 |
-1.4 |
0.484 |
1 |
0 |
0 |
0.000 |
47 |
52 |
|
D |
10 |
3 |
9574 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
10191 |
60.7 |
-1.2 |
0.373 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[EDO]D:306 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
9574 |
57.8 |
1.2 |
0.585 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
[EDO]D:302 |
4 |
1 |
186 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
3 |
10044 |
55.2 |
1.9 |
0.873 |
1 |
0 |
0 |
0.000 |
50 |
55 |
|
D |
5 |
3 |
9574 |
◊ |
[EDO]B:303 |
x,y,z-1 |
1_554 |
3 |
1 |
183 |
55.2 |
1.4 |
0.226 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
B |
7 |
3 |
10044 |
◊ |
E |
x,y-1,z |
1_545 |
7 |
1 |
2614 |
55.1 |
-1.4 |
0.384 |
0 |
0 |
0 |
0.000 |
52 |
57 |
|
[ACT]H:101 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
2849 |
52.3 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
B |
6 |
3 |
10044 |
f |
[EDO]A:304 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
47.7 |
0.3 |
0.590 |
1 |
0 |
0 |
0.005 |
54 |
59 |
|
[ACT]H:101 |
3 |
1 |
182 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
2 |
10191 |
47.0 |
-0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
[ACT]B:305 |
4 |
1 |
183 |
f |
[EDO]B:304 |
x,y,z |
1_555 |
4 |
1 |
185 |
46.4 |
0.7 |
0.901 |
1 |
0 |
0 |
0.000 |
56 |
61 |
|
[EDO]B:304 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
10044 |
44.8 |
1.2 |
0.810 |
1 |
0 |
0 |
0.000 |
57 |
62 |
|
D |
6 |
4 |
9574 |
◊ |
[ACT]B:305 |
x,y,z-1 |
1_554 |
4 |
1 |
183 |
42.9 |
0.3 |
0.823 |
0 |
0 |
0 |
0.000 |
58 |
63 |
|
G |
6 |
2 |
2841 |
◊ |
E |
x,y,z-1 |
1_554 |
7 |
1 |
2614 |
41.9 |
1.7 |
0.737 |
0 |
0 |
0 |
0.000 |
59 |
64 |
|
F |
5 |
1 |
2679 |
◊ |
[EDO]A:306 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
41.0 |
1.7 |
0.858 |
0 |
0 |
0 |
0.000 |
60 |
65 |
|
D |
4 |
2 |
9574 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
10191 |
39.5 |
1.1 |
0.854 |
2 |
3 |
0 |
0.000 |
61 |
66 |
|
C |
6 |
3 |
9749 |
f |
[EDO]A:306 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
36.9 |
0.7 |
0.743 |
1 |
0 |
0 |
0.000 |
62 |
67 |
|
B |
3 |
1 |
10044 |
◊ |
A |
x,y-1,z+1 |
1_546 |
4 |
2 |
10191 |
36.7 |
-0.9 |
0.230 |
0 |
0 |
0 |
0.000 |
63 |
68 |
|
C |
5 |
2 |
9749 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
10044 |
36.4 |
0.5 |
0.763 |
1 |
1 |
0 |
0.000 |
64 |
69 |
|
C |
4 |
2 |
9749 |
◊ |
G |
x,y-1,z |
1_545 |
3 |
1 |
2841 |
28.1 |
-0.6 |
0.347 |
0 |
0 |
0 |
0.000 |
65 |
70 |
|
C |
2 |
1 |
9749 |
◊ |
E |
x,y-1,z |
1_545 |
3 |
1 |
2614 |
23.8 |
-1.0 |
0.444 |
1 |
0 |
0 |
0.000 |
66 |
71 |
|
D |
4 |
2 |
9574 |
f |
[EDO]B:302 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
18.4 |
0.5 |
0.856 |
0 |
0 |
0 |
0.000 |
67 |
72 |
|
[EDO]C:303 |
2 |
1 |
183 |
f |
D |
x-1,y,z |
1_455 |
3 |
2 |
9574 |
18.3 |
0.6 |
0.730 |
0 |
0 |
0 |
0.000 |
68 |
73 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10191 |
16.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.231 |
69 |
74 |
|
[EDO]C:304 |
2 |
1 |
185 |
f |
[EDO]C:303 |
x,y,z |
1_555 |
2 |
1 |
183 |
15.6 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
70 |
75 |
|
[EDO]A:302 |
1 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
2614 |
15.3 |
-0.3 |
0.279 |
0 |
0 |
0 |
0.100 |
71 |
76 |
|
D |
3 |
3 |
9574 |
◊ |
E |
x,y,z-1 |
1_554 |
4 |
1 |
2614 |
9.7 |
-0.1 |
0.478 |
0 |
0 |
0 |
0.000 |
72 |
77 |
|
[ACT]B:305 |
1 |
1 |
183 |
f |
[EDO]B:303 |
x,y,z |
1_555 |
3 |
1 |
183 |
9.4 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
73 |
78 |
|
C |
1 |
1 |
9749 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
2849 |
6.1 |
0.3 |
0.717 |
0 |
0 |
0 |
0.000 |
74 |
79 |
|
C |
1 |
1 |
9749 |
◊ |
D |
x-1,y,z+1 |
1_456 |
1 |
1 |
9574 |
5.4 |
-0.2 |
0.294 |
0 |
0 |
0 |
0.000 |
75 |
80 |
|
[EDO]A:302 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
2679 |
4.9 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
76 |
81 |
|
G |
1 |
1 |
2841 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
10044 |
3.4 |
0.0 |
0.433 |
0 |
0 |
0 |
0.000 |
|