## |
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 |
93 |
24 |
9770 |
◊ |
A |
x,y,z |
1_555 |
98 |
35 |
9443 |
867.3 |
-8.5 |
0.182 |
17 |
0 |
0 |
0.116 |
2 |
|
D |
88 |
21 |
9450 |
◊ |
B |
x,y,z |
1_555 |
88 |
34 |
9401 |
819.3 |
-8.9 |
0.158 |
13 |
0 |
0 |
0.116 |
Average: |
843.3 |
-8.7 |
0.170 |
15 |
0 |
0 |
0.116 |
2 |
3 |
|
C |
77 |
26 |
9770 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
77 |
26 |
9770 |
781.7 |
-8.0 |
0.200 |
12 |
0 |
0 |
0.103 |
3 |
4 |
|
D |
82 |
21 |
9450 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
69 |
19 |
9770 |
663.3 |
0.5 |
0.716 |
12 |
8 |
0 |
0.057 |
4 |
5 |
|
D |
61 |
15 |
9450 |
◊ |
A |
x,y,z |
1_555 |
79 |
25 |
9443 |
637.8 |
-3.7 |
0.408 |
13 |
0 |
0 |
0.059 |
6 |
|
C |
63 |
17 |
9770 |
◊ |
B |
x,y,z |
1_555 |
66 |
20 |
9401 |
579.6 |
-2.1 |
0.554 |
13 |
0 |
0 |
0.059 |
Average: |
608.7 |
-2.9 |
0.481 |
13 |
0 |
0 |
0.059 |
5 |
7 |
|
D |
70 |
20 |
9450 |
◊ |
C |
x,y,z |
1_555 |
69 |
18 |
9770 |
612.2 |
-3.4 |
0.465 |
5 |
3 |
0 |
0.054 |
6 |
8 |
|
A |
51 |
14 |
9443 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
50 |
14 |
9443 |
448.6 |
-0.9 |
0.510 |
4 |
0 |
0 |
0.012 |
7 |
9 |
|
C |
41 |
15 |
9770 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
41 |
14 |
9443 |
400.7 |
1.2 |
0.749 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
30 |
10 |
9443 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
27 |
11 |
9770 |
269.0 |
-4.0 |
0.162 |
1 |
0 |
0 |
0.013 |
9 |
11 |
|
B |
24 |
10 |
9401 |
◊ |
A |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
25 |
8 |
9443 |
235.2 |
-0.6 |
0.522 |
1 |
0 |
0 |
0.003 |
10 |
12 |
|
D |
21 |
9 |
9450 |
◊ |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
16 |
7 |
9401 |
175.2 |
-2.7 |
0.219 |
0 |
0 |
0 |
0.008 |
11 |
13 |
|
[CL]C:183 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
9770 |
68.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.161 |
12 |
14 |
|
[NA]B:284 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
9401 |
68.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.098 |
15 |
|
[NA]A:290 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
9443 |
60.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
64.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.098 |
13 |
16 |
|
[NA]C:187 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9770 |
67.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.159 |
14 |
17 |
|
[CL]D:185 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9450 |
67.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.116 |
15 |
18 |
|
[NA]A:288 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
9443 |
67.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.082 |
16 |
19 |
|
[CL]A:280 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9443 |
65.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.077 |
20 |
|
[CL]B:277 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
9401 |
64.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
64.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.077 |
17 |
21 |
|
[CL]B:279 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9401 |
63.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.066 |
18 |
22 |
|
[CL]A:284 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9443 |
63.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.092 |
19 |
23 |
|
[CL]B:280 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
9401 |
62.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.075 |
20 |
24 |
|
[CL]A:278 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9443 |
62.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.083 |
21 |
25 |
|
[CL]A:281 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9443 |
59.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.072 |
22 |
26 |
|
[CL]A:277 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
9443 |
58.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.073 |
23 |
27 |
|
D |
6 |
4 |
9450 |
◊ |
A |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
9 |
6 |
9443 |
57.7 |
0.2 |
0.389 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[CL]A:282 |
1 |
1 |
125 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
12 |
6 |
9443 |
57.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.058 |
25 |
29 |
|
[CL]B:278 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
9401 |
56.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.069 |
30 |
|
[CL]A:285 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
9443 |
55.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
55.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.069 |
26 |
31 |
|
[CL]A:279 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
9443 |
54.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.065 |
27 |
32 |
|
[CL]C:185 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
9770 |
53.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.133 |
33 |
|
[CL]D:183 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
9450 |
52.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
52.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.133 |
28 |
34 |
|
[CL]B:282 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
9401 |
53.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.063 |
29 |
35 |
|
[CL]A:287 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9443 |
52.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.058 |
30 |
36 |
|
B |
8 |
4 |
9401 |
f |
[CL]A:286 |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
1 |
1 |
125 |
52.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.057 |
31 |
37 |
|
[CL]C:184 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
9770 |
49.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.102 |
32 |
38 |
|
[NA]B:283 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
9401 |
48.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.055 |
39 |
|
[NA]A:289 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
9443 |
48.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
48.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.055 |
33 |
40 |
|
[CA]C:182 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
9770 |
48.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.171 |
41 |
|
[CA]D:182 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
9450 |
47.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
48.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.171 |
34 |
42 |
|
[CL]C:186 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9770 |
47.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.081 |
35 |
43 |
|
[CL]A:286 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9443 |
45.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.015 |
36 |
44 |
|
[CL]C:185 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
9450 |
45.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.105 |
45 |
|
[CL]D:183 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
9770 |
44.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
45.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.105 |
37 |
46 |
|
[CL]A:283 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
9450 |
44.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.105 |
47 |
|
[CL]B:281 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
9770 |
44.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
44.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.105 |
38 |
48 |
|
[CL]A:283 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9443 |
44.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.036 |
49 |
|
[CL]B:281 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
9401 |
43.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
43.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.036 |
39 |
50 |
|
[CL]D:184 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
9450 |
43.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.052 |
40 |
51 |
|
[CL]A:282 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9443 |
35.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.040 |
41 |
52 |
|
[NA]A:289 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
9450 |
34.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.026 |
53 |
|
[NA]B:283 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
9770 |
34.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
34.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.026 |
42 |
54 |
|
[CL]C:184 |
1 |
1 |
125 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
3 |
2 |
9770 |
33.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.049 |
43 |
55 |
|
[CL]A:281 |
1 |
1 |
125 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
5 |
1 |
9770 |
31.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.012 |
44 |
56 |
|
[CL]C:186 |
1 |
1 |
125 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
3 |
2 |
9443 |
31.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.014 |
45 |
57 |
|
[CL]C:186 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
9443 |
29.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.019 |
46 |
58 |
|
[CL]C:184 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9443 |
29.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.019 |
47 |
59 |
|
[CL]B:282 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
9450 |
28.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.023 |
48 |
60 |
|
D |
3 |
1 |
9450 |
◊ |
[CL]C:183 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
125 |
20.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.020 |
49 |
61 |
|
[CL]B:282 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
9770 |
16.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.011 |
50 |
62 |
|
[CA]C:182 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9401 |
15.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.017 |
63 |
|
[CA]D:182 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9443 |
12.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
13.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.017 |
51 |
64 |
|
[NA]A:289 |
1 |
1 |
125 |
◊ |
[CL]A:283 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.018 |
52 |
65 |
|
[NA]A:290 |
1 |
1 |
125 |
◊ |
[CL]A:282 |
-y,-x,-z-1/2 |
8_554 |
1 |
1 |
125 |
14.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.026 |
53 |
66 |
|
[NA]B:283 |
1 |
1 |
125 |
◊ |
[CL]B:281 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.019 |
54 |
67 |
|
[CL]A:284 |
1 |
1 |
125 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
2 |
1 |
9443 |
13.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.015 |
55 |
68 |
|
[CA]D:182 |
1 |
1 |
85 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
1 |
9770 |
13.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.029 |
69 |
|
D |
1 |
1 |
9450 |
◊ |
[CA]C:182 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
85 |
8.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
10.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.029 |
56 |
70 |
|
[CL]A:281 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9450 |
12.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
57 |
71 |
|
A |
3 |
2 |
9443 |
◊ |
[NA]C:187 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
125 |
11.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
58 |
72 |
|
D |
2 |
1 |
9450 |
◊ |
[NA]C:187 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
125 |
10.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.012 |
59 |
73 |
|
[NA]A:288 |
1 |
1 |
125 |
◊ |
[CL]A:282 |
-y,-x,-z-1/2 |
8_554 |
1 |
1 |
125 |
7.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.014 |
60 |
74 |
|
[NA]B:283 |
1 |
1 |
125 |
f |
[CL]B:277 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.012 |
61 |
75 |
|
[CL]C:186 |
1 |
1 |
125 |
◊ |
[CL]A:284 |
-y,-x,-z-1/2 |
8_554 |
1 |
1 |
125 |
7.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
62 |
76 |
|
[CL]B:279 |
1 |
1 |
125 |
f |
[CL]B:278 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
63 |
77 |
|
[NA]A:289 |
1 |
1 |
125 |
f |
[CL]A:280 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.011 |
64 |
78 |
|
[CL]A:287 |
1 |
1 |
125 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
1 |
9770 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
79 |
|
[NA]A:290 |
1 |
1 |
125 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
1 |
1 |
9443 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
66 |
80 |
|
[CL]D:185 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9770 |
1.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
67 |
81 |
|
D |
1 |
1 |
9450 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
1 |
1 |
9770 |
0.6 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
|