| ## |
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 |
136 |
38 |
16314 |
◊ |
B |
x,y,z |
1_555 |
166 |
46 |
16281 |
1374.9 |
-16.5 |
0.172 |
20 |
8 |
0 |
0.418 |
2 |
|
B |
131 |
36 |
16281 |
◊ |
A |
x,y,z |
1_555 |
156 |
47 |
16296 |
1264.7 |
-16.7 |
0.142 |
16 |
5 |
0 |
0.418 |
3 |
|
C |
154 |
44 |
16314 |
◊ |
A |
x,y,z |
1_555 |
130 |
38 |
16296 |
1259.6 |
-16.0 |
0.129 |
21 |
5 |
0 |
0.418 |
| Average: |
1299.7 |
-16.4 |
0.148 |
19 |
6 |
0 |
0.418 |
| 2 |
4 |
|
C |
63 |
19 |
16314 |
◊ |
C |
-x,y,-z |
2_555 |
63 |
19 |
16314 |
613.4 |
-15.5 |
0.003 |
2 |
0 |
0 |
0.190 |
5 |
|
A |
62 |
19 |
16296 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
63 |
19 |
16281 |
603.5 |
-15.7 |
0.003 |
1 |
0 |
0 |
0.190 |
| Average: |
608.4 |
-15.6 |
0.003 |
2 |
0 |
0 |
0.190 |
| 3 |
6 |
|
[C8E]B:405 |
11 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
41 |
14 |
16281 |
224.8 |
4.6 |
0.245 |
0 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
29 |
12 |
16281 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
22 |
8 |
16314 |
209.7 |
1.8 |
0.897 |
2 |
2 |
0 |
0.000 |
| 5 |
8 |
|
B |
20 |
7 |
16281 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
20 |
7 |
16314 |
193.6 |
-6.1 |
0.021 |
0 |
0 |
0 |
0.000 |
9 |
|
A |
20 |
7 |
16296 |
◊ |
A |
-x,y,-z |
2_555 |
20 |
7 |
16296 |
191.4 |
-6.1 |
0.019 |
0 |
0 |
0 |
0.000 |
| Average: |
192.5 |
-6.1 |
0.020 |
0 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[C8E]A:403 |
9 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
34 |
11 |
16296 |
183.2 |
4.8 |
0.032 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[C8E]C:401 |
12 |
1 |
419 |
f |
C |
x,y,z |
1_555 |
29 |
10 |
16314 |
173.6 |
3.5 |
0.052 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[C8E]B:404 |
15 |
1 |
547 |
◊ |
B |
x,y,z |
1_555 |
20 |
5 |
16281 |
167.0 |
0.3 |
0.143 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[PEG]B:403 |
7 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
16281 |
159.7 |
4.2 |
0.499 |
4 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[PEG]C:406 |
7 |
1 |
271 |
◊ |
C |
x,y,z |
1_555 |
24 |
13 |
16314 |
137.4 |
4.8 |
0.632 |
4 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[PEG]A:401 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
16296 |
128.3 |
2.8 |
0.333 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[PEG]C:408 |
6 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
27 |
9 |
16314 |
123.9 |
2.2 |
0.358 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[C8E]C:401 |
8 |
1 |
419 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
16296 |
123.5 |
4.3 |
0.249 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[C8E]B:404 |
7 |
1 |
547 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
18 |
6 |
16314 |
122.6 |
3.1 |
0.389 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[PEG]A:402 |
7 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
16296 |
122.1 |
2.9 |
0.340 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[PEG]A:412 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
16296 |
119.8 |
2.8 |
0.408 |
6 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[PEG]B:402 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
16281 |
119.1 |
2.8 |
0.386 |
1 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[PEG]C:407 |
7 |
1 |
259 |
◊ |
C |
x,y,z |
1_555 |
19 |
9 |
16314 |
118.0 |
2.8 |
0.449 |
3 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[PEG]B:401 |
7 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
16281 |
117.6 |
3.1 |
0.478 |
3 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[GOL]B:406 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
16281 |
116.4 |
1.1 |
0.704 |
2 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[GOL]C:409 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
22 |
12 |
16314 |
113.5 |
2.1 |
0.786 |
5 |
0 |
0 |
0.003 |
| 22 |
26 |
|
[GOL]A:404 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
16296 |
112.4 |
1.0 |
0.736 |
2 |
0 |
0 |
0.000 |
| 23 |
27 |
|
A |
15 |
6 |
16296 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
5 |
16281 |
99.8 |
0.2 |
0.743 |
0 |
3 |
0 |
0.000 |
| 24 |
28 |
|
A |
8 |
4 |
16296 |
x |
A |
x,y,z-1 |
1_554 |
16 |
5 |
16296 |
91.9 |
-0.6 |
0.566 |
1 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[PEG]C:407 |
6 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
16281 |
87.1 |
1.9 |
0.409 |
2 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[PEG]B:401 |
7 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
16296 |
82.2 |
1.3 |
0.248 |
3 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[PEG]A:412 |
7 |
1 |
259 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
16314 |
81.1 |
1.9 |
0.328 |
1 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[BR]C:410 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
16314 |
78.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.259 |
33 |
|
[BR]A:409 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
16296 |
78.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.259 |
34 |
|
[BR]B:409 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
16281 |
74.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.259 |
| Average: |
77.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.259 |
| 29 |
35 |
|
[GOL]A:405 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
16296 |
70.1 |
0.8 |
0.784 |
3 |
0 |
0 |
0.006 |
| 30 |
36 |
|
[BR]A:411 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
16296 |
64.4 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.151 |
| 31 |
37 |
|
[BR]B:410 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16281 |
60.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.209 |
38 |
|
[BR]C:411 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
16314 |
59.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.209 |
39 |
|
[BR]A:408 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
16296 |
58.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.209 |
| Average: |
59.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.209 |
| 32 |
40 |
|
B |
10 |
2 |
16281 |
◊ |
C |
x,y,z-1 |
1_554 |
8 |
3 |
16314 |
59.3 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
B |
9 |
4 |
16281 |
x |
B |
x,y,z-1 |
1_554 |
10 |
5 |
16281 |
59.3 |
-0.4 |
0.568 |
1 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[MG]A:406 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16296 |
52.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.188 |
43 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
16314 |
51.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.188 |
44 |
|
[MG]B:407 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16281 |
51.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.188 |
| Average: |
51.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.188 |
| 35 |
45 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
16314 |
48.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.142 |
| 36 |
46 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
16314 |
48.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.132 |
| 37 |
47 |
|
[MG]C:405 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
16314 |
47.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.168 |
48 |
|
[MG]B:408 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
16281 |
47.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.168 |
49 |
|
[MG]A:407 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
16296 |
46.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.168 |
| Average: |
47.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.168 |
| 38 |
50 |
|
[BR]B:411 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
16281 |
33.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.040 |
| 39 |
51 |
|
[BR]B:411 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
16314 |
29.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 40 |
52 |
|
[BR]B:411 |
1 |
1 |
133 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
3 |
16314 |
27.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
53 |
|
[PEG]C:406 |
2 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
16296 |
20.9 |
0.4 |
0.331 |
0 |
0 |
0 |
0.000 |
| 42 |
54 |
|
[BR]C:411 |
1 |
1 |
133 |
f |
[PEG]C:408 |
x,y,z |
1_555 |
2 |
1 |
260 |
20.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
55 |
|
[BR]A:408 |
1 |
1 |
133 |
f |
[PEG]A:401 |
x,y,z |
1_555 |
2 |
1 |
259 |
20.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
20.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
| 43 |
56 |
|
[MG]B:408 |
1 |
1 |
98 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
16314 |
19.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
57 |
|
[MG]C:403 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
16281 |
17.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 45 |
58 |
|
C |
3 |
3 |
16314 |
x |
C |
x,y,z-1 |
1_554 |
5 |
3 |
16314 |
15.2 |
-0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
| 46 |
59 |
|
[BR]B:410 |
1 |
1 |
133 |
f |
[PEG]B:402 |
x,y,z |
1_555 |
2 |
1 |
262 |
10.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 47 |
60 |
|
[BR]A:411 |
1 |
1 |
133 |
f |
[PEG]A:402 |
x,y,z |
1_555 |
1 |
1 |
262 |
5.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 48 |
61 |
|
[GOL]C:409 |
2 |
1 |
221 |
f |
[PEG]C:408 |
x,y,z |
1_555 |
2 |
1 |
260 |
4.7 |
0.1 |
0.327 |
0 |
0 |
0 |
0.000 |
| 49 |
62 |
|
[C8E]B:404 |
2 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
16296 |
4.1 |
-0.1 |
0.364 |
0 |
0 |
0 |
0.002 |
| 50 |
63 |
|
[GOL]A:404 |
1 |
1 |
219 |
f |
[PEG]A:401 |
x,y,z |
1_555 |
1 |
1 |
259 |
2.2 |
0.1 |
0.267 |
0 |
0 |
0 |
0.000 |
| 51 |
64 |
|
B |
1 |
1 |
16281 |
◊ |
[MG]C:405 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|