| ## |
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 |
|
H |
130 |
34 |
9150 |
◊ |
D |
x,y,z |
1_555 |
122 |
33 |
10342 |
1172.5 |
-5.2 |
0.398 |
13 |
5 |
0 |
0.100 |
2 |
|
F |
117 |
32 |
9146 |
◊ |
C |
x,y,z |
1_555 |
119 |
30 |
10286 |
1119.2 |
-5.9 |
0.380 |
8 |
5 |
0 |
0.100 |
| Average: |
1145.8 |
-5.5 |
0.389 |
11 |
5 |
0 |
0.100 |
| 2 |
3 |
|
H |
129 |
38 |
9150 |
◊ |
B |
x,y,z |
1_555 |
103 |
27 |
16042 |
1091.0 |
-7.9 |
0.232 |
15 |
8 |
0 |
0.705 |
| 3 |
4 |
|
F |
112 |
34 |
9146 |
◊ |
A |
x,y,z |
1_555 |
106 |
30 |
16232 |
1074.2 |
-9.0 |
0.163 |
13 |
5 |
0 |
0.829 |
| 4 |
5 |
|
D |
79 |
25 |
10342 |
◊ |
A |
x,y,z-1 |
1_554 |
101 |
31 |
16232 |
826.2 |
-2.0 |
0.553 |
11 |
3 |
0 |
0.000 |
6 |
|
B |
102 |
30 |
16042 |
◊ |
C |
-x-2,y-1/2,-z-1 |
2_344 |
70 |
22 |
10286 |
811.4 |
-4.7 |
0.423 |
11 |
4 |
0 |
0.000 |
| Average: |
818.8 |
-3.3 |
0.488 |
11 |
4 |
0 |
0.000 |
| 5 |
7 |
|
D |
65 |
20 |
10342 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
64 |
19 |
9146 |
610.2 |
-3.3 |
0.393 |
3 |
3 |
0 |
0.000 |
| 6 |
8 |
|
C |
45 |
12 |
10286 |
◊ |
A |
x,y,z |
1_555 |
42 |
15 |
16232 |
394.2 |
-0.4 |
0.543 |
3 |
1 |
0 |
0.007 |
| 7 |
9 |
|
H |
37 |
9 |
9150 |
◊ |
A |
x,y,z |
1_555 |
37 |
15 |
16232 |
327.5 |
-0.6 |
0.471 |
4 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[MAL]A:401 |
23 |
1 |
459 |
f |
A |
x,y,z |
1_555 |
55 |
20 |
16232 |
325.2 |
1.5 |
0.467 |
7 |
0 |
0 |
0.088 |
11 |
|
[MAL]B:401 |
23 |
1 |
456 |
f |
B |
x,y,z |
1_555 |
47 |
18 |
16042 |
314.2 |
1.6 |
0.488 |
7 |
0 |
0 |
0.088 |
| Average: |
319.7 |
1.5 |
0.477 |
7 |
0 |
0 |
0.088 |
| 9 |
12 |
|
H |
26 |
6 |
9150 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
10286 |
200.5 |
-4.4 |
0.076 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
B |
17 |
7 |
16042 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
7 |
16232 |
160.6 |
-0.0 |
0.512 |
2 |
2 |
0 |
0.000 |
| 11 |
14 |
|
[PEG]B:402 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
16042 |
153.9 |
3.4 |
0.420 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[PEG]A:402 |
6 |
1 |
264 |
◊ |
H |
x,y,z |
1_555 |
22 |
8 |
9150 |
121.8 |
1.8 |
0.292 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
D |
18 |
5 |
10342 |
◊ |
[PEG]F:204 |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
1 |
262 |
121.5 |
3.1 |
0.392 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
C |
15 |
5 |
10286 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
6 |
16232 |
119.9 |
0.2 |
0.649 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[PEG]D:902 |
7 |
1 |
265 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
10342 |
116.5 |
3.4 |
0.443 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[PEG]D:902 |
6 |
1 |
265 |
f |
A |
x,y,z-1 |
1_554 |
19 |
8 |
16232 |
108.0 |
0.9 |
0.228 |
2 |
0 |
0 |
0.002 |
| 17 |
20 |
|
[PEG]F:204 |
7 |
1 |
262 |
f |
F |
x,y,z |
1_555 |
18 |
6 |
9146 |
104.2 |
2.1 |
0.253 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
C |
15 |
6 |
10286 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
16042 |
90.6 |
1.3 |
0.797 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
D |
9 |
6 |
10342 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
16042 |
81.4 |
0.9 |
0.759 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
D |
11 |
3 |
10342 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
8 |
2 |
16232 |
80.8 |
1.5 |
0.792 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
H |
6 |
3 |
9150 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
3 |
9146 |
78.1 |
0.7 |
0.733 |
1 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]F:203 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
9146 |
76.4 |
2.1 |
0.266 |
1 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]F:203 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
10286 |
73.9 |
2.5 |
0.309 |
1 |
0 |
0 |
0.000 |
| 24 |
27 |
|
B |
9 |
5 |
16042 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
16232 |
70.9 |
-0.3 |
0.527 |
1 |
1 |
0 |
0.000 |
| 25 |
28 |
|
D |
6 |
3 |
10342 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
5 |
16042 |
59.1 |
0.5 |
0.751 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[PEG]A:402 |
5 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
16232 |
58.9 |
1.8 |
0.353 |
1 |
0 |
0 |
0.000 |
| 27 |
30 |
|
B |
4 |
1 |
16042 |
f |
[ZN]C:900 |
-x-2,y-1/2,-z-1 |
2_344 |
1 |
1 |
98 |
17.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.360 |
31 |
|
[ZN]D:901 |
1 |
1 |
98 |
f |
A |
x,y,z-1 |
1_554 |
4 |
1 |
16232 |
14.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.360 |
| Average: |
16.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.360 |
|