## |
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 |
64 |
21 |
13211 |
◊ |
A |
x,y,z |
1_555 |
66 |
19 |
13191 |
592.8 |
-7.2 |
0.128 |
6 |
2 |
0 |
0.000 |
2 |
2 |
|
D |
51 |
17 |
13255 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
49 |
14 |
13252 |
449.3 |
1.5 |
0.771 |
7 |
7 |
0 |
0.000 |
3 |
3 |
|
D |
37 |
15 |
13255 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
41 |
16 |
13191 |
338.3 |
1.0 |
0.720 |
8 |
2 |
0 |
0.000 |
4 |
|
C |
35 |
14 |
13252 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
13211 |
319.0 |
1.6 |
0.782 |
7 |
1 |
0 |
0.000 |
Average: |
328.7 |
1.3 |
0.751 |
8 |
2 |
0 |
0.001 |
4 |
5 |
|
D |
39 |
9 |
13255 |
◊ |
C |
x,y-1,z |
1_545 |
37 |
14 |
13252 |
324.9 |
-0.8 |
0.550 |
4 |
5 |
0 |
0.000 |
5 |
6 |
|
D |
31 |
8 |
13255 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
35 |
14 |
13211 |
317.3 |
1.0 |
0.732 |
8 |
9 |
0 |
0.000 |
7 |
|
C |
29 |
8 |
13252 |
◊ |
A |
x,y,z |
1_555 |
36 |
14 |
13191 |
317.1 |
1.4 |
0.754 |
7 |
9 |
0 |
0.000 |
Average: |
317.2 |
1.2 |
0.743 |
8 |
9 |
0 |
0.000 |
6 |
8 |
|
[HBJ]A:804 |
27 |
1 |
738 |
f |
A |
x,y,z |
1_555 |
42 |
19 |
13191 |
312.6 |
-6.7 |
0.344 |
0 |
0 |
0 |
0.005 |
9 |
|
[HBJ]C:804 |
26 |
1 |
732 |
f |
C |
x,y,z |
1_555 |
45 |
19 |
13252 |
308.4 |
-6.7 |
0.352 |
0 |
0 |
0 |
0.005 |
10 |
|
[HBJ]D:804 |
26 |
1 |
737 |
f |
D |
x,y,z |
1_555 |
43 |
19 |
13255 |
307.2 |
-6.7 |
0.359 |
0 |
0 |
0 |
0.005 |
11 |
|
[HBJ]B:804 |
27 |
1 |
736 |
f |
B |
x,y,z |
1_555 |
44 |
19 |
13211 |
306.3 |
-7.5 |
0.228 |
0 |
0 |
0 |
0.005 |
Average: |
308.6 |
-6.9 |
0.321 |
0 |
0 |
0 |
0.005 |
7 |
12 |
|
D |
38 |
13 |
13255 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
37 |
13 |
13252 |
308.2 |
-2.6 |
0.370 |
4 |
4 |
0 |
0.000 |
8 |
13 |
|
D |
28 |
10 |
13255 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
24 |
11 |
13211 |
243.0 |
-1.1 |
0.476 |
2 |
0 |
0 |
0.000 |
14 |
|
C |
24 |
8 |
13252 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
10 |
13191 |
233.7 |
-1.3 |
0.432 |
2 |
0 |
0 |
0.000 |
Average: |
238.4 |
-1.2 |
0.454 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
D |
36 |
16 |
13255 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
13211 |
219.1 |
3.9 |
0.928 |
5 |
4 |
0 |
0.000 |
10 |
16 |
|
B |
26 |
8 |
13211 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
14 |
5 |
13252 |
192.2 |
0.4 |
0.465 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
D |
19 |
6 |
13255 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
13191 |
169.3 |
2.0 |
0.815 |
4 |
6 |
0 |
0.000 |
12 |
18 |
|
[HBJ]C:804 |
17 |
1 |
732 |
◊ |
[HBJ]B:804 |
x,y,z |
1_555 |
17 |
1 |
736 |
140.8 |
-4.4 |
0.940 |
0 |
0 |
0 |
0.001 |
19 |
|
[HBJ]D:804 |
17 |
1 |
737 |
◊ |
[HBJ]A:804 |
-x+1,y-1/2,-z |
2_645 |
17 |
1 |
738 |
138.6 |
-4.4 |
0.939 |
0 |
0 |
0 |
0.001 |
Average: |
139.7 |
-4.4 |
0.940 |
0 |
0 |
0 |
0.001 |
13 |
20 |
|
D |
23 |
9 |
13255 |
◊ |
[BTB]C:810 |
x,y-1,z |
1_545 |
10 |
1 |
350 |
136.1 |
4.3 |
0.331 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
B |
16 |
4 |
13211 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
11 |
3 |
13191 |
124.6 |
1.1 |
0.753 |
4 |
4 |
0 |
0.000 |
15 |
22 |
|
A |
14 |
4 |
13191 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
6 |
13211 |
115.6 |
-0.9 |
0.420 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[K]C:803 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
13252 |
115.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
24 |
|
[K]A:803 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
13191 |
115.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
25 |
|
[K]D:803 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
13255 |
115.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
26 |
|
[K]B:803 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
13211 |
114.7 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
115.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
17 |
27 |
|
[HBJ]D:804 |
9 |
1 |
737 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
12 |
5 |
13191 |
107.3 |
-3.0 |
0.402 |
0 |
0 |
0 |
0.002 |
28 |
|
[HBJ]B:804 |
9 |
1 |
736 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
13252 |
105.1 |
-2.9 |
0.413 |
0 |
0 |
0 |
0.002 |
29 |
|
D |
12 |
5 |
13255 |
◊ |
[HBJ]A:804 |
-x+1,y-1/2,-z |
2_645 |
9 |
1 |
738 |
103.4 |
-2.9 |
0.416 |
0 |
0 |
0 |
0.002 |
30 |
|
[HBJ]C:804 |
9 |
1 |
732 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
13211 |
103.2 |
-2.8 |
0.446 |
0 |
0 |
0 |
0.002 |
Average: |
104.8 |
-2.9 |
0.419 |
0 |
0 |
0 |
0.002 |
18 |
31 |
|
[EDO]D:808 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
17 |
8 |
13255 |
106.3 |
2.0 |
0.370 |
3 |
0 |
0 |
0.000 |
19 |
32 |
|
A |
12 |
4 |
13191 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
9 |
5 |
13211 |
102.3 |
0.1 |
0.536 |
3 |
0 |
0 |
0.000 |
20 |
33 |
|
[EDO]B:805 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
13211 |
99.9 |
2.9 |
0.421 |
1 |
0 |
0 |
0.000 |
21 |
34 |
|
[EDO]D:809 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
13255 |
93.6 |
2.4 |
0.360 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
[EDO]C:808 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
13252 |
92.1 |
3.6 |
0.559 |
1 |
0 |
0 |
0.000 |
23 |
36 |
|
[EDO]D:810 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
13255 |
91.9 |
2.9 |
0.435 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[EDO]C:807 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
13252 |
90.0 |
2.6 |
0.339 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[EDO]C:806 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
13252 |
89.1 |
2.5 |
0.477 |
3 |
0 |
0 |
0.000 |
26 |
39 |
|
[EDO]D:806 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
13255 |
85.6 |
2.0 |
0.262 |
2 |
0 |
0 |
0.000 |
27 |
40 |
|
[EDO]D:807 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
13255 |
79.5 |
2.6 |
0.512 |
1 |
0 |
0 |
0.000 |
28 |
41 |
|
[BTB]C:810 |
6 |
1 |
350 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
13252 |
77.4 |
1.9 |
0.219 |
3 |
0 |
0 |
0.000 |
29 |
42 |
|
[EDO]C:805 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
13252 |
75.4 |
2.8 |
0.489 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
[EDO]A:805 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13211 |
74.5 |
1.5 |
0.199 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
[EDO]A:805 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
13191 |
74.0 |
1.6 |
0.193 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[EDO]D:805 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
13255 |
65.5 |
0.7 |
0.163 |
1 |
0 |
0 |
0.000 |
33 |
46 |
|
D |
10 |
4 |
13255 |
◊ |
[EDO]C:806 |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
183 |
65.5 |
1.4 |
0.241 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
[EDO]C:805 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
13211 |
58.1 |
1.6 |
0.774 |
1 |
0 |
0 |
0.000 |
35 |
48 |
|
[EDO]D:807 |
4 |
1 |
184 |
f |
A |
-x+1,y-1/2,-z |
2_645 |
13 |
5 |
13191 |
57.8 |
1.4 |
0.784 |
4 |
0 |
0 |
0.000 |
36 |
49 |
|
[EDO]C:809 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
13252 |
54.9 |
1.0 |
0.733 |
1 |
0 |
0 |
0.000 |
37 |
50 |
|
[EDO]D:805 |
3 |
1 |
184 |
f |
[HBJ]D:804 |
x,y,z |
1_555 |
8 |
1 |
737 |
49.3 |
0.5 |
0.335 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
D |
3 |
1 |
13255 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
13191 |
43.3 |
1.7 |
0.930 |
2 |
4 |
0 |
0.000 |
52 |
|
C |
1 |
1 |
13252 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
13211 |
4.7 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
Average: |
24.0 |
0.9 |
0.874 |
1 |
2 |
0 |
0.000 |
39 |
53 |
|
[EDO]D:806 |
3 |
1 |
183 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
13191 |
42.9 |
1.0 |
0.667 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
[ZN]B:801 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
13211 |
37.6 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.018 |
55 |
|
[ZN]C:801 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
13252 |
37.6 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.018 |
56 |
|
[ZN]D:801 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
7 |
13255 |
37.5 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.018 |
57 |
|
[ZN]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
13191 |
37.3 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
37.5 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.018 |
41 |
58 |
|
[HBJ]B:804 |
3 |
1 |
736 |
cf |
[ZN]B:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.008 |
59 |
|
[HBJ]C:804 |
4 |
1 |
732 |
cf |
[ZN]C:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.008 |
60 |
|
[HBJ]D:804 |
4 |
1 |
737 |
cf |
[ZN]D:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.008 |
61 |
|
[HBJ]A:804 |
4 |
1 |
738 |
cf |
[ZN]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
30.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.008 |
42 |
62 |
|
[EDO]D:805 |
3 |
1 |
184 |
◊ |
[HBJ]A:804 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
738 |
29.4 |
0.2 |
0.726 |
0 |
0 |
0 |
0.000 |
43 |
63 |
|
[EDO]D:807 |
4 |
1 |
184 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
3 |
13211 |
25.3 |
0.3 |
0.566 |
0 |
0 |
0 |
0.000 |
44 |
64 |
|
[EDO]C:805 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
13191 |
24.1 |
0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
45 |
65 |
|
[EDO]D:806 |
3 |
1 |
183 |
f |
[EDO]D:805 |
x,y,z |
1_555 |
3 |
1 |
184 |
20.9 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
46 |
66 |
|
[EDO]D:805 |
2 |
1 |
184 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
13191 |
15.5 |
0.6 |
0.905 |
0 |
0 |
0 |
0.000 |
47 |
67 |
|
[EDO]D:808 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
13211 |
5.4 |
0.1 |
0.830 |
0 |
0 |
0 |
0.000 |
48 |
68 |
|
[EDO]D:806 |
1 |
1 |
183 |
f |
[HBJ]D:804 |
x,y,z |
1_555 |
1 |
1 |
737 |
3.4 |
-0.0 |
0.870 |
0 |
0 |
0 |
0.000 |
49 |
69 |
|
[EDO]D:810 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13191 |
2.0 |
0.1 |
0.888 |
0 |
0 |
0 |
0.000 |
|