| ## |
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 |
|
D |
356 |
94 |
18667 |
◊ |
A |
x,y,z |
1_555 |
365 |
94 |
18528 |
3450.1 |
-34.2 |
0.105 |
42 |
6 |
0 |
0.439 |
| 2 |
2 |
|
C |
154 |
39 |
21293 |
◊ |
B |
x,y,z |
1_555 |
173 |
47 |
19962 |
1661.2 |
-14.7 |
0.064 |
21 |
5 |
0 |
0.322 |
3 |
|
F |
154 |
42 |
21211 |
◊ |
E |
x,y,z |
1_555 |
177 |
51 |
19927 |
1653.6 |
-13.9 |
0.096 |
23 |
3 |
0 |
0.322 |
| Average: |
1657.4 |
-14.3 |
0.080 |
22 |
4 |
0 |
0.322 |
| 3 |
4 |
|
F |
66 |
21 |
21211 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
68 |
22 |
21293 |
634.2 |
-1.8 |
0.517 |
7 |
2 |
0 |
0.000 |
| 4 |
5 |
|
E |
62 |
15 |
19927 |
◊ |
D |
x,y,z |
1_555 |
57 |
15 |
18667 |
568.9 |
0.1 |
0.561 |
7 |
8 |
0 |
0.000 |
6 |
|
B |
67 |
15 |
19962 |
◊ |
A |
x,y,z |
1_555 |
59 |
15 |
18528 |
567.7 |
0.5 |
0.593 |
8 |
6 |
0 |
0.000 |
| Average: |
568.3 |
0.3 |
0.577 |
8 |
7 |
0 |
0.000 |
| 5 |
7 |
|
D |
49 |
13 |
18667 |
◊ |
F |
x-1,y,z |
1_455 |
39 |
8 |
21211 |
439.1 |
-0.5 |
0.623 |
5 |
3 |
0 |
0.000 |
8 |
|
C |
34 |
8 |
21293 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
9 |
18528 |
326.6 |
-2.9 |
0.348 |
2 |
2 |
0 |
0.000 |
| Average: |
382.8 |
-1.7 |
0.486 |
4 |
3 |
0 |
0.000 |
| 6 |
9 |
|
C |
58 |
14 |
21293 |
◊ |
D |
x,y,z |
1_555 |
49 |
11 |
18667 |
407.1 |
-0.1 |
0.644 |
6 |
2 |
0 |
0.000 |
10 |
|
F |
51 |
13 |
21211 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
18528 |
349.0 |
-1.4 |
0.490 |
3 |
0 |
0 |
0.000 |
| Average: |
378.0 |
-0.7 |
0.567 |
5 |
1 |
0 |
0.000 |
| 7 |
11 |
|
B |
46 |
14 |
19962 |
◊ |
E |
x-1,y,z |
1_455 |
43 |
11 |
19927 |
400.1 |
-2.4 |
0.396 |
4 |
2 |
0 |
0.000 |
| 8 |
12 |
|
F |
34 |
11 |
21211 |
◊ |
D |
x,y,z |
1_555 |
43 |
10 |
18667 |
319.6 |
5.1 |
0.931 |
6 |
2 |
0 |
0.000 |
13 |
|
C |
31 |
8 |
21293 |
◊ |
A |
x,y,z |
1_555 |
37 |
9 |
18528 |
303.0 |
2.3 |
0.839 |
8 |
4 |
0 |
0.000 |
| Average: |
311.3 |
3.7 |
0.885 |
7 |
3 |
0 |
0.000 |
| 9 |
14 |
|
E |
22 |
6 |
19927 |
◊ |
C |
-x+2,y-1/2,-z+3 |
2_748 |
27 |
8 |
21293 |
211.8 |
2.1 |
0.832 |
2 |
3 |
0 |
0.000 |
| 10 |
15 |
|
F |
25 |
8 |
21211 |
◊ |
B |
-x+3,y-1/2,-z+3 |
2_848 |
20 |
6 |
19962 |
188.1 |
2.1 |
0.836 |
2 |
7 |
0 |
0.000 |
| 11 |
16 |
|
D |
21 |
5 |
18667 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
7 |
19962 |
188.0 |
-0.8 |
0.505 |
1 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[GOL]B:404 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
19962 |
145.6 |
-1.4 |
0.350 |
2 |
0 |
0 |
0.029 |
| 13 |
18 |
|
[GOL]C:502 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
21293 |
136.2 |
0.1 |
0.627 |
3 |
0 |
0 |
0.016 |
| 14 |
19 |
|
B |
11 |
5 |
19962 |
◊ |
F |
x-1,y,z |
1_455 |
15 |
5 |
21211 |
131.1 |
3.1 |
0.926 |
3 |
3 |
0 |
0.000 |
20 |
|
C |
15 |
4 |
21293 |
◊ |
E |
x-1,y,z |
1_455 |
14 |
6 |
19927 |
128.6 |
1.9 |
0.820 |
4 |
6 |
0 |
0.000 |
| Average: |
129.8 |
2.5 |
0.873 |
4 |
5 |
0 |
0.000 |
| 15 |
21 |
|
[SO4]E:401 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
26 |
12 |
19927 |
130.3 |
-19.4 |
0.576 |
3 |
0 |
0 |
0.225 |
| 16 |
22 |
|
[GOL]C:504 |
6 |
1 |
223 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
21293 |
126.4 |
-0.6 |
0.477 |
3 |
0 |
0 |
0.025 |
| 17 |
23 |
|
[GOL]F:503 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
21211 |
126.1 |
-0.6 |
0.477 |
2 |
0 |
0 |
0.016 |
| 18 |
24 |
|
[SO4]F:501 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
20 |
7 |
21211 |
121.5 |
-16.0 |
0.667 |
0 |
0 |
0 |
0.174 |
| 19 |
25 |
|
[GOL]C:503 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
21293 |
120.4 |
0.5 |
0.641 |
3 |
0 |
0 |
0.011 |
| 20 |
26 |
|
[SO4]A:403 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
18528 |
109.7 |
-17.2 |
0.641 |
1 |
0 |
0 |
0.144 |
| 21 |
27 |
|
[PO4]A:401 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
18528 |
105.6 |
-8.0 |
0.682 |
6 |
0 |
0 |
0.087 |
| 22 |
28 |
|
[PO4]D:401 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
18667 |
104.2 |
-7.4 |
0.652 |
7 |
0 |
0 |
0.086 |
| 23 |
29 |
|
[SO4]C:501 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
21293 |
97.4 |
-12.8 |
0.826 |
1 |
0 |
0 |
0.172 |
| 24 |
30 |
|
[SO4]F:502 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
17 |
7 |
21211 |
96.1 |
-13.4 |
0.816 |
2 |
0 |
0 |
0.156 |
| 25 |
31 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
19962 |
87.1 |
-13.1 |
0.682 |
4 |
0 |
0 |
0.194 |
| 26 |
32 |
|
[SO4]E:402 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
19927 |
87.0 |
-13.6 |
0.693 |
3 |
0 |
0 |
0.162 |
| 27 |
33 |
|
[SO4]A:404 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
18528 |
67.0 |
-9.3 |
0.721 |
1 |
0 |
0 |
0.080 |
| 28 |
34 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
19962 |
63.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.119 |
| 29 |
35 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
18528 |
57.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.151 |
36 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
18667 |
56.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.151 |
| Average: |
57.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.151 |
| 30 |
37 |
|
D |
5 |
1 |
18667 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
9 |
3 |
21293 |
55.5 |
-0.5 |
0.394 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
19962 |
40.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.058 |
| 32 |
39 |
|
F |
4 |
1 |
21211 |
◊ |
[GOL]C:504 |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
1 |
223 |
31.6 |
0.3 |
0.617 |
1 |
0 |
0 |
0.000 |
| 33 |
40 |
|
A |
4 |
1 |
18528 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
19962 |
21.9 |
0.3 |
0.731 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[SO4]B:403 |
1 |
1 |
185 |
f |
[MG]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.055 |
| 35 |
42 |
|
[SO4]A:403 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
18667 |
11.8 |
-1.7 |
0.639 |
0 |
0 |
0 |
0.014 |
| 36 |
43 |
|
[GOL]C:503 |
1 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19962 |
9.0 |
0.2 |
0.644 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
E |
1 |
1 |
19927 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18528 |
2.1 |
0.0 |
0.680 |
0 |
0 |
0 |
0.000 |
|