## |
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 |
38 |
12 |
4273 |
◊ |
C |
x,y-1,z |
1_545 |
38 |
12 |
4692 |
398.8 |
-5.5 |
0.102 |
2 |
1 |
0 |
0.098 |
2 |
2 |
|
B |
42 |
12 |
4244 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
41 |
12 |
4273 |
364.8 |
-4.2 |
0.177 |
4 |
0 |
0 |
0.086 |
3 |
3 |
|
B |
29 |
11 |
4244 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
25 |
6 |
4692 |
286.3 |
-5.1 |
0.068 |
0 |
0 |
0 |
0.043 |
4 |
4 |
|
A |
25 |
7 |
4273 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
26 |
7 |
4692 |
241.2 |
1.9 |
0.704 |
4 |
5 |
0 |
0.000 |
5 |
|
B |
24 |
6 |
4244 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
27 |
8 |
4273 |
228.4 |
1.7 |
0.684 |
4 |
4 |
0 |
0.000 |
6 |
|
C |
25 |
8 |
4692 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
29 |
9 |
4244 |
224.6 |
2.5 |
0.733 |
4 |
5 |
0 |
0.000 |
Average: |
231.4 |
2.1 |
0.707 |
4 |
5 |
0 |
0.000 |
5 |
7 |
|
A |
27 |
7 |
4273 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
27 |
8 |
4244 |
232.9 |
1.0 |
0.662 |
6 |
0 |
0 |
0.000 |
8 |
|
B |
26 |
7 |
4244 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
25 |
7 |
4692 |
230.0 |
1.3 |
0.663 |
5 |
1 |
0 |
0.000 |
9 |
|
C |
25 |
7 |
4692 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
27 |
8 |
4273 |
228.0 |
1.5 |
0.697 |
6 |
1 |
0 |
0.000 |
Average: |
230.3 |
1.3 |
0.674 |
6 |
1 |
0 |
0.000 |
6 |
10 |
|
C |
24 |
9 |
4692 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
4273 |
175.2 |
-1.7 |
0.352 |
2 |
0 |
0 |
0.055 |
11 |
|
B |
16 |
6 |
4244 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
4273 |
171.4 |
-1.4 |
0.394 |
2 |
0 |
0 |
0.055 |
12 |
|
C |
15 |
7 |
4692 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
4244 |
164.3 |
-1.5 |
0.371 |
2 |
0 |
0 |
0.055 |
Average: |
170.3 |
-1.5 |
0.372 |
2 |
0 |
0 |
0.055 |
7 |
13 |
|
[CD]A:108 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
4273 |
54.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.115 |
14 |
|
B |
6 |
4 |
4244 |
◊ |
[CD]A:108 |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
112 |
33.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
43.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.115 |
8 |
15 |
|
[CD]B:204 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
4244 |
53.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.174 |
16 |
|
[CD]C:304 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
4692 |
53.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.174 |
17 |
|
[CD]A:104 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
4273 |
52.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.174 |
Average: |
53.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.174 |
9 |
18 |
|
[CD]A:119 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
4273 |
50.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.158 |
19 |
|
[CD]B:208 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
4244 |
49.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.158 |
20 |
|
[CD]C:308 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
4692 |
43.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.158 |
Average: |
47.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.158 |
10 |
21 |
|
[CD]A:114 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
4273 |
49.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.147 |
22 |
|
[CD]B:214 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
4244 |
49.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.147 |
23 |
|
[CD]C:314 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
4692 |
48.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.147 |
Average: |
49.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.147 |
11 |
24 |
|
[CD]B:229 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
4244 |
47.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.133 |
25 |
|
A |
7 |
3 |
4273 |
◊ |
[CD]C:308 |
x,y-1,z |
1_545 |
1 |
1 |
112 |
41.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
44.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.133 |
12 |
26 |
|
[CD]B:201 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
4244 |
43.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.143 |
27 |
|
[CD]A:301 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
4692 |
43.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.143 |
28 |
|
[CD]A:101 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
4273 |
42.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.143 |
Average: |
43.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.143 |
13 |
29 |
|
[CD]C:325 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
4692 |
41.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.094 |
30 |
|
[CD]B:225 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
4244 |
39.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
40.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
14 |
31 |
|
[CL]A:92 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
4244 |
40.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.141 |
32 |
|
[CL]B:93 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
4692 |
40.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.141 |
33 |
|
[CL]C:91 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
4273 |
39.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.141 |
Average: |
40.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.141 |
15 |
34 |
|
C |
6 |
3 |
4692 |
◊ |
[CD]B:225 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
112 |
36.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
4 |
2 |
4273 |
◊ |
[CD]C:325 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
112 |
26.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
31.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
36 |
|
[CD]A:301 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4273 |
32.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.056 |
37 |
|
[CD]A:101 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4244 |
31.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.056 |
38 |
|
[CD]B:201 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4692 |
31.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
31.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.056 |
17 |
39 |
|
B |
3 |
3 |
4244 |
◊ |
[CD]A:119 |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
112 |
23.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.069 |
40 |
|
[CD]B:208 |
1 |
1 |
112 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
3 |
4273 |
20.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
21.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.069 |
18 |
41 |
|
[CL]C:91 |
1 |
1 |
125 |
◊ |
[CD]A:90 |
x,y,z |
1_555 |
1 |
1 |
112 |
19.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.027 |
19 |
42 |
|
[CL]A:92 |
1 |
1 |
125 |
◊ |
[CD]A:90 |
x,y,z |
1_555 |
1 |
1 |
112 |
19.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.027 |
20 |
43 |
|
[CL]B:93 |
1 |
1 |
125 |
◊ |
[CD]A:90 |
x,y,z |
1_555 |
1 |
1 |
112 |
19.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.026 |
21 |
44 |
|
[CL]A:92 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
4273 |
19.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.037 |
45 |
|
[CL]B:93 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
4244 |
19.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.037 |
46 |
|
[CL]C:91 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
4692 |
19.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
19.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.037 |
22 |
47 |
|
[CD]A:90 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
4692 |
18.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.028 |
48 |
|
[CD]A:90 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
4273 |
18.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.028 |
49 |
|
[CD]A:90 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
4244 |
17.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
18.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.028 |
23 |
50 |
|
[CL]B:93 |
1 |
1 |
125 |
◊ |
[CL]A:92 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.020 |
24 |
51 |
|
[CL]C:91 |
1 |
1 |
125 |
◊ |
[CL]A:92 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.020 |
25 |
52 |
|
[CL]C:91 |
1 |
1 |
125 |
◊ |
[CL]B:93 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.019 |
26 |
53 |
|
[CD]A:114 |
1 |
1 |
112 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
4244 |
12.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[CD]C:314 |
1 |
1 |
112 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
4273 |
12.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
|
[CD]B:214 |
1 |
1 |
112 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
4692 |
11.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
12.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
56 |
|
[CL]C:91 |
1 |
1 |
125 |
f |
[CD]A:101 |
x,y,z |
1_555 |
1 |
1 |
112 |
9.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.024 |
28 |
57 |
|
[CL]B:93 |
1 |
1 |
125 |
f |
[CD]A:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
8.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.024 |
29 |
58 |
|
[CL]A:92 |
1 |
1 |
125 |
f |
[CD]B:201 |
x,y,z |
1_555 |
1 |
1 |
112 |
8.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.045 |
30 |
59 |
|
[CL]A:92 |
1 |
1 |
125 |
◊ |
[CD]A:101 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
31 |
60 |
|
[CL]C:91 |
1 |
1 |
125 |
◊ |
[CD]A:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
32 |
61 |
|
[CL]B:93 |
1 |
1 |
125 |
◊ |
[CD]B:201 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
33 |
62 |
|
[CD]C:304 |
1 |
1 |
112 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
4244 |
5.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[CD]A:104 |
1 |
1 |
112 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
4692 |
4.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[CD]B:204 |
1 |
1 |
112 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
4273 |
4.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
4.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
65 |
|
[CL]B:93 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4273 |
4.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
66 |
|
[CL]C:91 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4244 |
4.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
67 |
|
[CL]A:92 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4692 |
4.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
4.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
35 |
68 |
|
[CD]B:208 |
1 |
1 |
112 |
◊ |
[CD]A:119 |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
112 |
2.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
36 |
69 |
|
C |
1 |
1 |
4692 |
x |
C |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
4692 |
0.9 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
|