| ## |
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 |
|
B |
85 |
25 |
6295 |
◊ |
A |
x,y,z |
1_555 |
87 |
25 |
6307 |
768.1 |
-2.8 |
0.665 |
15 |
0 |
0 |
0.072 |
2 |
|
D |
88 |
24 |
6231 |
◊ |
C |
x,y,z |
1_555 |
84 |
27 |
6313 |
735.1 |
-3.6 |
0.648 |
18 |
0 |
0 |
0.072 |
| Average: |
751.6 |
-3.2 |
0.657 |
17 |
0 |
0 |
0.072 |
| 2 |
3 |
|
A |
54 |
19 |
6307 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
48 |
15 |
6295 |
487.4 |
-0.2 |
0.696 |
6 |
4 |
0 |
0.026 |
4 |
|
D |
51 |
16 |
6231 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
55 |
20 |
6313 |
481.6 |
-2.4 |
0.618 |
5 |
4 |
0 |
0.026 |
| Average: |
484.5 |
-1.3 |
0.657 |
6 |
4 |
0 |
0.026 |
| 3 |
5 |
|
D |
45 |
12 |
6231 |
◊ |
B |
x,y,z |
1_555 |
43 |
13 |
6295 |
429.0 |
-6.9 |
0.164 |
6 |
0 |
0 |
0.055 |
6 |
|
C |
42 |
12 |
6313 |
◊ |
A |
x,y,z |
1_555 |
43 |
12 |
6307 |
405.0 |
-7.2 |
0.117 |
7 |
0 |
0 |
0.055 |
| Average: |
417.0 |
-7.0 |
0.140 |
7 |
0 |
0 |
0.055 |
| 4 |
7 |
|
C |
41 |
16 |
6313 |
◊ |
B |
x,y,z |
1_555 |
37 |
16 |
6295 |
411.2 |
-9.5 |
0.026 |
3 |
0 |
0 |
0.058 |
8 |
|
D |
38 |
16 |
6231 |
◊ |
A |
x,y,z |
1_555 |
41 |
16 |
6307 |
404.2 |
-9.3 |
0.029 |
2 |
0 |
0 |
0.058 |
| Average: |
407.7 |
-9.4 |
0.027 |
3 |
0 |
0 |
0.058 |
| 5 |
9 |
|
D |
40 |
14 |
6231 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
25 |
9 |
6313 |
293.1 |
-1.8 |
0.543 |
4 |
2 |
0 |
0.020 |
10 |
|
A |
29 |
13 |
6307 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
36 |
12 |
6295 |
275.6 |
-1.0 |
0.612 |
5 |
1 |
0 |
0.020 |
| Average: |
284.4 |
-1.4 |
0.577 |
5 |
2 |
0 |
0.020 |
| 6 |
11 |
|
D |
16 |
6 |
6231 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
4 |
6313 |
148.2 |
0.5 |
0.690 |
0 |
0 |
0 |
0.000 |
12 |
|
B |
13 |
5 |
6295 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
4 |
6307 |
99.9 |
-0.6 |
0.573 |
0 |
0 |
0 |
0.000 |
| Average: |
124.1 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[GOL]B:135 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
6295 |
111.3 |
-0.2 |
0.611 |
3 |
0 |
0 |
0.014 |
| 8 |
14 |
|
[ACT]C:130 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
21 |
11 |
6313 |
111.1 |
-0.9 |
0.614 |
1 |
0 |
0 |
0.016 |
| 9 |
15 |
|
[ACT]B:132 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
6295 |
110.3 |
-1.0 |
0.601 |
1 |
0 |
0 |
0.013 |
| 10 |
16 |
|
[ACT]A:132 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
6307 |
106.8 |
-0.9 |
0.609 |
1 |
0 |
0 |
0.012 |
| 11 |
17 |
|
[ACT]D:132 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
18 |
11 |
6231 |
105.7 |
-0.8 |
0.598 |
2 |
0 |
0 |
0.020 |
| 12 |
18 |
|
[GOL]D:135 |
6 |
1 |
217 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
20 |
6 |
6313 |
97.1 |
-0.8 |
0.477 |
1 |
0 |
0 |
0.014 |
| 13 |
19 |
|
[GOL]B:136 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6295 |
93.4 |
-0.0 |
0.624 |
3 |
0 |
0 |
0.012 |
| 14 |
20 |
|
[ACT]B:133 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
6295 |
92.3 |
-1.0 |
0.604 |
3 |
0 |
0 |
0.020 |
| 15 |
21 |
|
[ACT]C:131 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
6231 |
90.2 |
-0.3 |
0.691 |
0 |
0 |
0 |
0.004 |
| 16 |
22 |
|
[ACT]D:133 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
6231 |
86.2 |
-0.6 |
0.694 |
3 |
0 |
0 |
0.023 |
| 17 |
23 |
|
[ACT]C:132 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
6313 |
81.5 |
0.4 |
0.779 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[ACT]D:134 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
6231 |
78.8 |
-0.3 |
0.723 |
0 |
0 |
0 |
0.002 |
| 19 |
25 |
|
[GOL]D:135 |
6 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
6231 |
76.7 |
-1.1 |
0.369 |
1 |
0 |
0 |
0.016 |
| 20 |
26 |
|
[ACT]A:131 |
4 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6295 |
72.5 |
-0.4 |
0.634 |
2 |
0 |
0 |
0.008 |
| 21 |
27 |
|
[ACT]A:131 |
4 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6307 |
70.3 |
-0.2 |
0.706 |
3 |
0 |
0 |
0.014 |
| 22 |
28 |
|
[ACT]B:131 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
6295 |
68.0 |
-0.7 |
0.569 |
2 |
0 |
0 |
0.012 |
| 23 |
29 |
|
[ACT]C:133 |
4 |
1 |
180 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
6313 |
67.5 |
-0.1 |
0.740 |
2 |
0 |
0 |
0.011 |
| 24 |
30 |
|
[ACT]C:133 |
4 |
1 |
180 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
6231 |
66.9 |
-0.4 |
0.707 |
0 |
0 |
0 |
0.002 |
| 25 |
31 |
|
A |
11 |
6 |
6307 |
◊ |
[ACT]B:131 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
183 |
61.6 |
-0.1 |
0.608 |
1 |
0 |
0 |
0.005 |
| 26 |
32 |
|
[ACT]C:131 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
6313 |
60.8 |
0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[ACT]D:133 |
4 |
1 |
183 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
12 |
5 |
6313 |
57.6 |
-0.6 |
0.592 |
0 |
0 |
0 |
0.003 |
| 28 |
34 |
|
[ZN]D:129 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
6231 |
49.2 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.387 |
35 |
|
[ZN]A:129 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6307 |
49.2 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.387 |
36 |
|
[ZN]C:129 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
6313 |
48.9 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.387 |
37 |
|
[ZN]B:128 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6295 |
48.5 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.387 |
| Average: |
48.9 |
-31.0 |
0.000 |
0 |
0 |
0 |
0.387 |
| 29 |
38 |
|
[ZN]B:130 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6295 |
48.7 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.385 |
39 |
|
[ZN]D:131 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
6231 |
44.8 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.385 |
40 |
|
[ZN]C:128 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
6313 |
43.4 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.385 |
41 |
|
[ZN]A:130 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6307 |
42.6 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.385 |
| Average: |
44.9 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.385 |
| 30 |
42 |
|
A |
9 |
4 |
6307 |
◊ |
[ACT]B:133 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
184 |
43.9 |
-0.9 |
0.539 |
0 |
0 |
0 |
0.003 |
| 31 |
43 |
|
[ZN]C:134 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
6313 |
37.7 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.278 |
44 |
|
[ZN]D:130 |
1 |
1 |
98 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
7 |
4 |
6313 |
37.5 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.278 |
45 |
|
[ZN]D:128 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6231 |
32.6 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.278 |
46 |
|
[ZN]A:128 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
6307 |
30.6 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.278 |
47 |
|
A |
5 |
4 |
6307 |
c |
[ZN]B:134 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
30.5 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.278 |
48 |
|
[ZN]A:133 |
1 |
1 |
98 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
6295 |
27.3 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.278 |
49 |
|
[ZN]B:129 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6295 |
27.0 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.278 |
| Average: |
31.9 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.278 |
| 32 |
50 |
|
D |
6 |
2 |
6231 |
◊ |
[ZN]C:134 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
98 |
36.8 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.226 |
51 |
|
[ZN]D:130 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
6231 |
36.5 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.226 |
52 |
|
[ZN]A:128 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
6295 |
30.5 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.226 |
53 |
|
[ZN]B:134 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
6295 |
30.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.226 |
| Average: |
33.6 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.226 |
| 33 |
54 |
|
[ZN]D:128 |
1 |
1 |
98 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
2 |
6313 |
32.6 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.188 |
55 |
|
A |
7 |
2 |
6307 |
◊ |
[ZN]B:129 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
28.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.188 |
56 |
|
[ZN]A:133 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
6307 |
27.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.188 |
| Average: |
29.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.188 |
| 34 |
57 |
|
A |
2 |
1 |
6307 |
◊ |
[GOL]B:135 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
215 |
32.1 |
1.3 |
0.853 |
2 |
0 |
0 |
0.000 |
| 35 |
58 |
|
D |
5 |
2 |
6231 |
f |
[ACT]C:132 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
184 |
28.2 |
-0.2 |
0.632 |
0 |
0 |
0 |
0.002 |
| 36 |
59 |
|
[ACT]D:134 |
1 |
1 |
183 |
f |
[ACT]C:133 |
x,y,z |
1_555 |
1 |
1 |
180 |
27.5 |
-0.9 |
0.500 |
0 |
0 |
0 |
0.010 |
| 37 |
60 |
|
[GOL]B:136 |
1 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
6307 |
27.1 |
0.6 |
0.630 |
1 |
0 |
0 |
0.000 |
| 38 |
61 |
|
[ACT]D:134 |
2 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
6313 |
26.2 |
-0.3 |
0.616 |
0 |
0 |
0 |
0.003 |
| 39 |
62 |
|
[ZN]A:128 |
1 |
1 |
98 |
f |
[ZN]B:134 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
24.8 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.176 |
| 40 |
63 |
|
[ZN]A:133 |
1 |
1 |
98 |
f |
[ZN]B:129 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
24.6 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.175 |
| 41 |
64 |
|
[ZN]B:130 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6307 |
19.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.111 |
65 |
|
[ZN]C:128 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
6231 |
19.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.111 |
66 |
|
[ZN]A:130 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6295 |
18.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.111 |
67 |
|
[ZN]D:131 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6313 |
17.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.111 |
| Average: |
18.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.111 |
| 42 |
68 |
|
C |
2 |
1 |
6313 |
x |
C |
-x,y-1/2,-z |
2_545 |
2 |
1 |
6313 |
14.0 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
69 |
|
A |
2 |
1 |
6307 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
6307 |
7.6 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
| Average: |
10.8 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
| 43 |
70 |
|
[GOL]D:135 |
2 |
1 |
217 |
f |
[ZN]D:128 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 44 |
71 |
|
[ACT]B:133 |
1 |
1 |
184 |
◊ |
[ACT]B:131 |
x,y,z |
1_555 |
4 |
1 |
183 |
10.2 |
-0.3 |
0.583 |
0 |
0 |
0 |
0.002 |
| 45 |
72 |
|
[ACT]B:131 |
2 |
1 |
183 |
f |
[ZN]B:129 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.056 |
73 |
|
[ZN]A:133 |
1 |
1 |
98 |
f |
[ACT]B:131 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
183 |
9.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.056 |
| Average: |
9.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.056 |
| 46 |
74 |
|
[GOL]D:135 |
3 |
1 |
217 |
◊ |
[ACT]D:133 |
x,y,z |
1_555 |
1 |
1 |
183 |
9.0 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 47 |
75 |
|
[GOL]B:136 |
1 |
1 |
219 |
◊ |
[ACT]A:131 |
x,y,z |
1_555 |
1 |
1 |
180 |
8.3 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 48 |
76 |
|
A |
1 |
1 |
6307 |
◊ |
[GOL]B:136 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
219 |
1.9 |
-0.1 |
0.484 |
0 |
0 |
0 |
0.000 |
| 49 |
77 |
|
[ACT]A:132 |
1 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6295 |
0.8 |
-0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
| 50 |
78 |
|
[ACT]C:130 |
1 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6231 |
0.8 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
|