## |
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 |
|
A |
51 |
17 |
9963 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
49 |
19 |
9950 |
539.3 |
-6.1 |
0.149 |
9 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
34 |
18 |
9950 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
30 |
12 |
9950 |
331.8 |
-2.6 |
0.343 |
0 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
36 |
13 |
9950 |
◊ |
A |
x,y,z |
1_555 |
32 |
16 |
9963 |
313.7 |
0.8 |
0.598 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
34 |
13 |
9963 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
33 |
12 |
9963 |
311.8 |
3.3 |
0.910 |
6 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
35 |
13 |
9950 |
x |
B |
-x,y-1/2,-z |
2_545 |
34 |
14 |
9950 |
298.5 |
1.8 |
0.806 |
6 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
27 |
15 |
9963 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
23 |
12 |
9963 |
257.6 |
-2.0 |
0.314 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
23 |
7 |
9963 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
23 |
8 |
9950 |
227.7 |
-2.1 |
0.274 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
A |
21 |
10 |
9963 |
◊ |
B |
x-1,y,z-1 |
1_454 |
21 |
9 |
9950 |
187.1 |
-0.4 |
0.479 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
19 |
6 |
9963 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
6 |
9950 |
164.1 |
0.5 |
0.557 |
6 |
0 |
0 |
0.000 |
10 |
10 |
|
A |
10 |
4 |
9963 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
4 |
9950 |
101.4 |
1.0 |
0.784 |
2 |
0 |
0 |
0.000 |
11 |
11 |
|
[IPA]B:310 |
4 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9950 |
84.9 |
2.4 |
0.335 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[IPA]B:308 |
4 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
9950 |
84.0 |
2.6 |
0.356 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[IPA]B:309 |
4 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
9950 |
82.1 |
1.8 |
0.286 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[IPA]A:308 |
4 |
1 |
198 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
14 |
8 |
9963 |
81.6 |
2.4 |
0.238 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[IPA]A:307 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9963 |
81.4 |
2.0 |
0.197 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[IPA]A:309 |
4 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
9963 |
79.7 |
1.6 |
0.222 |
0 |
0 |
0 |
0.000 |
17 |
17 |
|
[IPA]A:311 |
4 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
9963 |
76.7 |
1.2 |
0.157 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
[IPA]A:308 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9963 |
73.2 |
2.2 |
0.212 |
2 |
0 |
0 |
0.000 |
19 |
19 |
|
[IPA]B:307 |
4 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9950 |
60.1 |
1.2 |
0.180 |
2 |
0 |
0 |
0.000 |
20 |
20 |
|
[IPA]B:306 |
3 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9950 |
60.1 |
0.6 |
0.104 |
2 |
0 |
0 |
0.000 |
21 |
21 |
|
[IPA]B:305 |
4 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9950 |
58.2 |
1.2 |
0.186 |
2 |
0 |
0 |
0.000 |
22 |
22 |
|
[IPA]A:310 |
3 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9963 |
56.5 |
0.6 |
0.087 |
2 |
0 |
0 |
0.000 |
23 |
23 |
|
[IPA]A:305 |
3 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9963 |
54.7 |
0.5 |
0.083 |
2 |
0 |
0 |
0.000 |
24 |
24 |
|
[GOL]A:312 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9963 |
51.6 |
-0.2 |
0.642 |
0 |
0 |
0 |
0.000 |
25 |
25 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9963 |
49.0 |
-38.8 |
0.000 |
0 |
0 |
0 |
0.029 |
26 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9950 |
46.4 |
-36.3 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
47.7 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.029 |
26 |
27 |
|
[IPA]A:306 |
3 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9963 |
47.7 |
1.0 |
0.205 |
2 |
0 |
0 |
0.000 |
27 |
28 |
|
[IPA]B:310 |
4 |
1 |
198 |
f |
[IPA]B:307 |
x,y,z |
1_555 |
4 |
1 |
199 |
36.7 |
2.1 |
1.000 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[IPA]A:310 |
4 |
1 |
198 |
f |
[IPA]A:309 |
x,y,z |
1_555 |
4 |
1 |
197 |
36.7 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[GOL]A:312 |
4 |
1 |
215 |
f |
[IPA]A:306 |
x,y,z |
1_555 |
3 |
1 |
197 |
36.2 |
0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[IPA]A:307 |
4 |
1 |
198 |
f |
[IPA]A:306 |
x,y,z |
1_555 |
4 |
1 |
197 |
35.0 |
2.0 |
1.000 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[IPA]B:308 |
3 |
1 |
198 |
f |
[IPA]B:305 |
x,y,z |
1_555 |
4 |
1 |
198 |
33.7 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[IPA]A:311 |
4 |
1 |
197 |
f |
[IPA]A:305 |
x,y,z |
1_555 |
4 |
1 |
197 |
33.4 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[IPA]B:309 |
3 |
1 |
197 |
f |
[IPA]B:305 |
x,y,z |
1_555 |
4 |
1 |
198 |
32.5 |
1.7 |
1.000 |
1 |
0 |
0 |
0.000 |
34 |
35 |
|
[IPA]B:309 |
3 |
1 |
197 |
f |
[IPA]B:306 |
x,y,z |
1_555 |
4 |
1 |
199 |
31.7 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[IPA]A:309 |
3 |
1 |
197 |
f |
[IPA]A:305 |
x,y,z |
1_555 |
4 |
1 |
197 |
31.7 |
1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[IPA]A:310 |
4 |
1 |
198 |
f |
[IPA]A:307 |
x,y,z |
1_555 |
4 |
1 |
198 |
31.6 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
B |
3 |
1 |
9950 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
2 |
9963 |
31.5 |
0.4 |
0.748 |
1 |
0 |
0 |
0.000 |
38 |
39 |
|
[GOL]A:312 |
2 |
1 |
215 |
f |
[IPA]A:311 |
x,y,z |
1_555 |
2 |
1 |
197 |
31.1 |
0.6 |
0.540 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[GOL]A:312 |
4 |
1 |
215 |
◊ |
B |
x-1,y,z-1 |
1_454 |
4 |
2 |
9950 |
29.7 |
0.1 |
0.629 |
0 |
0 |
0 |
0.000 |
40 |
41 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9950 |
29.4 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.016 |
42 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9963 |
29.1 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
29.2 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.016 |
41 |
43 |
|
[IPA]B:308 |
3 |
1 |
198 |
f |
[IPA]B:307 |
x,y,z |
1_555 |
4 |
1 |
199 |
29.2 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[ZN]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9950 |
29.2 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.016 |
45 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
9963 |
28.4 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
28.8 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.016 |
43 |
46 |
|
[IPA]B:310 |
3 |
1 |
198 |
f |
[IPA]B:306 |
x,y,z |
1_555 |
4 |
1 |
199 |
28.5 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9950 |
28.4 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.015 |
48 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9963 |
27.9 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
28.1 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.015 |
45 |
49 |
|
[IPA]B:306 |
3 |
1 |
199 |
f |
[ZN]B:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.8 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.021 |
50 |
|
[IPA]B:307 |
3 |
1 |
199 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.021 |
51 |
|
[IPA]A:305 |
3 |
1 |
197 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.021 |
52 |
|
[IPA]A:306 |
3 |
1 |
197 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.021 |
53 |
|
[IPA]A:309 |
3 |
1 |
197 |
f |
[ZN]A:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.021 |
54 |
|
[IPA]A:307 |
2 |
1 |
198 |
f |
[ZN]A:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
20.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.021 |
46 |
55 |
|
[IPA]A:311 |
3 |
1 |
197 |
f |
[IPA]A:306 |
x,y,z |
1_555 |
4 |
1 |
197 |
24.4 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
[IPA]B:305 |
3 |
1 |
198 |
f |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.010 |
57 |
|
[IPA]A:310 |
3 |
1 |
198 |
f |
[ZN]A:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.010 |
58 |
|
[IPA]B:309 |
2 |
1 |
197 |
f |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
20.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.010 |
48 |
59 |
|
[IPA]B:306 |
1 |
1 |
199 |
f |
[IPA]B:305 |
x,y,z |
1_555 |
1 |
1 |
198 |
19.9 |
1.3 |
0.500 |
0 |
0 |
0 |
0.000 |
60 |
|
[IPA]A:310 |
2 |
1 |
198 |
f |
[IPA]A:306 |
x,y,z |
1_555 |
2 |
1 |
197 |
18.2 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
Average: |
19.0 |
1.3 |
0.750 |
0 |
0 |
0 |
0.000 |
49 |
61 |
|
[IPA]A:310 |
2 |
1 |
198 |
f |
[IPA]A:305 |
x,y,z |
1_555 |
3 |
1 |
197 |
19.1 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[IPA]B:307 |
3 |
1 |
199 |
f |
[IPA]B:305 |
x,y,z |
1_555 |
3 |
1 |
198 |
17.6 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
Average: |
18.3 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
50 |
63 |
|
[IPA]A:306 |
3 |
1 |
197 |
f |
[IPA]A:305 |
x,y,z |
1_555 |
2 |
1 |
197 |
17.7 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[IPA]B:307 |
1 |
1 |
199 |
f |
[IPA]B:306 |
x,y,z |
1_555 |
2 |
1 |
199 |
17.4 |
1.1 |
0.707 |
0 |
0 |
0 |
0.000 |
Average: |
17.6 |
1.1 |
0.854 |
0 |
0 |
0 |
0.000 |
51 |
65 |
|
[IPA]B:308 |
2 |
1 |
198 |
f |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.003 |
66 |
|
[IPA]A:309 |
3 |
1 |
197 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
12.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.003 |
52 |
67 |
|
[IPA]B:310 |
3 |
1 |
198 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.004 |
53 |
68 |
|
[IPA]A:307 |
2 |
1 |
198 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.007 |
69 |
|
[IPA]A:311 |
3 |
1 |
197 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.007 |
70 |
|
[IPA]B:308 |
3 |
1 |
198 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
12.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.007 |
54 |
71 |
|
[IPA]B:309 |
2 |
1 |
197 |
f |
[ZN]B:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.003 |
55 |
72 |
|
[IPA]B:310 |
3 |
1 |
198 |
f |
[ZN]B:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.004 |
73 |
|
[IPA]B:309 |
1 |
1 |
197 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
7.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.004 |
56 |
74 |
|
[IPA]A:311 |
1 |
1 |
197 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.002 |
57 |
75 |
|
[GOL]A:312 |
2 |
1 |
215 |
f |
[IPA]A:305 |
x,y,z |
1_555 |
1 |
1 |
197 |
5.6 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
58 |
76 |
|
[GOL]A:312 |
2 |
1 |
215 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.001 |
59 |
77 |
|
[IPA]B:308 |
1 |
1 |
198 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.001 |
60 |
78 |
|
[IPA]B:310 |
1 |
1 |
198 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
79 |
|
[IPA]B:309 |
1 |
1 |
197 |
f |
[IPA]B:308 |
x,y,z |
1_555 |
1 |
1 |
198 |
0.2 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|