| ## |
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 |
133 |
23 |
8274 |
◊ |
A |
x,y,z |
1_555 |
128 |
36 |
7817 |
1220.7 |
-19.0 |
0.803 |
22 |
0 |
0 |
0.176 |
| 2 |
2 |
|
D |
110 |
18 |
8274 |
◊ |
B |
x,y,z |
1_555 |
102 |
30 |
4521 |
1023.9 |
-19.1 |
0.615 |
23 |
0 |
0 |
0.215 |
| 3 |
3 |
|
D |
30 |
3 |
8274 |
◊ |
C |
x,y,z |
1_555 |
31 |
3 |
8274 |
212.7 |
4.6 |
0.990 |
3 |
0 |
0 |
0.000 |
| 4 |
4 |
|
D |
32 |
2 |
8274 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
31 |
2 |
8274 |
199.0 |
5.1 |
0.992 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
19 |
6 |
4521 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
7 |
8274 |
169.5 |
-2.0 |
0.726 |
2 |
0 |
0 |
0.012 |
| 6 |
6 |
|
B |
16 |
4 |
4521 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
15 |
7 |
7817 |
134.7 |
0.2 |
0.652 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
B |
13 |
4 |
4521 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
17 |
5 |
8274 |
118.5 |
-2.0 |
0.636 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
D |
9 |
2 |
8274 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
4 |
7817 |
79.3 |
-1.8 |
0.450 |
2 |
0 |
0 |
0.009 |
| 9 |
9 |
|
[MMC]C:230 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8274 |
71.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.043 |
10 |
|
[MMC]D:332 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
8274 |
70.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
71.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.043 |
| 10 |
11 |
|
[MMC]A:415 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7817 |
70.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| 11 |
12 |
|
[MMC]D:347 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
8274 |
69.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.034 |
13 |
|
[MMC]C:227 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
8274 |
68.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
68.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.034 |
| 12 |
14 |
|
[MMC]A:416 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
7817 |
67.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.033 |
| 13 |
15 |
|
[CD]C:202 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
8274 |
65.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.073 |
16 |
|
[CD]D:302 |
1 |
1 |
112 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
8274 |
64.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
64.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.073 |
| 14 |
17 |
|
[MG]C:257 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
8274 |
62.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.081 |
18 |
|
[MG]D:380 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
8274 |
61.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.081 |
| Average: |
62.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.081 |
| 15 |
19 |
|
A |
6 |
2 |
7817 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
10 |
2 |
8274 |
61.1 |
-0.4 |
0.732 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[MG]C:215 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
8274 |
60.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.084 |
21 |
|
[MG]D:375 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
8274 |
59.2 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
59.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.084 |
| 17 |
22 |
|
[MG]C:210 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
8274 |
58.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.080 |
23 |
|
[MG]D:385 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
8274 |
56.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
57.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.080 |
| 18 |
24 |
|
A |
6 |
3 |
7817 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
9 |
3 |
8274 |
57.8 |
-1.6 |
0.557 |
1 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[CD]C:201 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
8274 |
57.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.057 |
26 |
|
[CD]D:390 |
1 |
1 |
112 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
8274 |
56.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
56.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.057 |
| 20 |
27 |
|
[CD]A:413 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7817 |
57.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.044 |
| 21 |
28 |
|
B |
4 |
2 |
4521 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
7817 |
56.8 |
1.1 |
0.807 |
1 |
2 |
0 |
0.000 |
| 22 |
29 |
|
[MMC]D:451 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
8274 |
55.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.027 |
30 |
|
[MMC]A:448 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
8274 |
43.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
49.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.027 |
| 23 |
31 |
|
[MG]D:326 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
8274 |
52.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.075 |
32 |
|
[MG]C:226 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
8274 |
52.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.075 |
| Average: |
52.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.075 |
| 24 |
33 |
|
A |
7 |
4 |
7817 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
7817 |
51.4 |
1.7 |
0.877 |
1 |
1 |
0 |
0.000 |
| 25 |
34 |
|
[MG]D:365 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
8274 |
49.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.054 |
35 |
|
[MG]C:437 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
8274 |
45.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
47.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.054 |
| 26 |
36 |
|
[MMC]A:448 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7817 |
49.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| 27 |
37 |
|
[CD]A:414 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7817 |
48.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.037 |
| 28 |
38 |
|
[MG]C:223 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
8274 |
45.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| 29 |
39 |
|
[CD]D:311 |
1 |
1 |
112 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
8274 |
45.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.041 |
40 |
|
[CD]C:211 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
8274 |
44.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
45.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.041 |
| 30 |
41 |
|
[MG]D:360 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
8274 |
44.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| 31 |
42 |
|
[MG]C:273 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
8274 |
42.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.051 |
43 |
|
[MG]D:397 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
8274 |
41.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
41.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.051 |
| 32 |
44 |
|
[MG]D:318 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8274 |
40.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.041 |
| 33 |
45 |
|
[MG]C:228 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
8274 |
40.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.032 |
| 34 |
46 |
|
D |
6 |
1 |
8274 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7817 |
37.4 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
[MG]D:354 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
8274 |
37.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.037 |
48 |
|
[MG]C:225 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
8274 |
34.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
35.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.037 |
| 36 |
49 |
|
[CD]C:211 |
1 |
1 |
112 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8274 |
35.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[CD]D:311 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8274 |
33.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
34.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 37 |
51 |
|
[CD]A:414 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8274 |
34.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.024 |
| 38 |
52 |
|
[MG]A:214 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
7817 |
31.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.018 |
| 39 |
53 |
|
B |
3 |
1 |
4521 |
◊ |
[MG]A:214 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
98 |
30.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
54 |
|
B |
3 |
1 |
4521 |
◊ |
[CD]C:211 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
112 |
19.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 41 |
55 |
|
[MG]A:214 |
1 |
1 |
98 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8274 |
19.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
56 |
|
D |
3 |
2 |
8274 |
◊ |
[MG]C:225 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
98 |
18.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[MG]D:354 |
1 |
1 |
98 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
8274 |
14.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
16.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
58 |
|
B |
5 |
1 |
4521 |
◊ |
[CD]A:413 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
112 |
16.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
59 |
|
[MG]A:214 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
7817 |
14.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
60 |
|
[MG]D:380 |
1 |
1 |
98 |
f |
[MG]D:326 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| 46 |
61 |
|
[MG]C:257 |
1 |
1 |
98 |
f |
[MG]C:226 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.013 |
| 47 |
62 |
|
[CD]D:390 |
1 |
1 |
112 |
f |
[MG]D:318 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
| 48 |
63 |
|
[MG]C:226 |
1 |
1 |
98 |
f |
[MG]C:210 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
| 49 |
64 |
|
A |
1 |
1 |
7817 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
8274 |
3.8 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
| 50 |
65 |
|
[MG]D:385 |
1 |
1 |
98 |
f |
[MG]D:326 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
| 51 |
66 |
|
[MMC]A:416 |
1 |
1 |
137 |
f |
[MMC]A:415 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 52 |
67 |
|
[MMC]C:230 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7817 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|