## |
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 |
202 |
52 |
13170 |
◊ |
F |
x,y,z |
1_555 |
189 |
49 |
11097 |
2007.8 |
-24.5 |
0.091 |
21 |
10 |
0 |
1.000 |
2 |
|
D |
190 |
49 |
13086 |
◊ |
B |
x,y,z |
1_555 |
198 |
50 |
11208 |
1977.4 |
-26.6 |
0.055 |
20 |
8 |
0 |
1.000 |
Average: |
1992.6 |
-25.6 |
0.073 |
21 |
9 |
0 |
1.000 |
2 |
3 |
|
C |
161 |
39 |
12116 |
◊ |
A |
x,y,z |
1_555 |
178 |
45 |
10258 |
1742.6 |
-23.4 |
0.055 |
18 |
11 |
0 |
0.710 |
4 |
|
G |
147 |
36 |
11860 |
◊ |
E |
x,y,z |
1_555 |
171 |
43 |
10167 |
1640.5 |
-23.6 |
0.065 |
18 |
10 |
0 |
0.710 |
Average: |
1691.5 |
-23.5 |
0.060 |
18 |
11 |
0 |
0.710 |
3 |
5 |
|
D |
175 |
45 |
13086 |
◊ |
A |
x,y,z |
1_555 |
175 |
44 |
10258 |
1689.1 |
-30.9 |
0.016 |
15 |
4 |
0 |
0.602 |
6 |
|
H |
169 |
46 |
13170 |
◊ |
E |
x,y,z |
1_555 |
169 |
44 |
10167 |
1678.8 |
-32.0 |
0.010 |
15 |
4 |
0 |
0.602 |
Average: |
1683.9 |
-31.5 |
0.013 |
15 |
4 |
0 |
0.602 |
4 |
7 |
|
C |
150 |
40 |
12116 |
◊ |
B |
x,y,z |
1_555 |
155 |
38 |
11208 |
1501.8 |
-24.2 |
0.066 |
12 |
1 |
0 |
0.166 |
8 |
|
G |
147 |
38 |
11860 |
◊ |
F |
x,y,z |
1_555 |
159 |
37 |
11097 |
1496.0 |
-25.1 |
0.056 |
6 |
2 |
0 |
0.166 |
Average: |
1498.9 |
-24.6 |
0.061 |
9 |
2 |
0 |
0.166 |
5 |
9 |
|
F |
63 |
16 |
11097 |
◊ |
A |
x,y,z |
1_555 |
64 |
20 |
10258 |
586.4 |
-4.2 |
0.487 |
3 |
0 |
0 |
0.015 |
6 |
10 |
|
G |
55 |
14 |
11860 |
◊ |
C |
x-1,y,z |
1_455 |
58 |
15 |
12116 |
555.6 |
0.0 |
0.837 |
3 |
5 |
0 |
0.005 |
7 |
11 |
|
E |
47 |
15 |
10167 |
◊ |
D |
x-1,y-1,z |
1_445 |
52 |
17 |
13086 |
496.2 |
-2.4 |
0.559 |
8 |
0 |
0 |
0.000 |
8 |
12 |
|
H |
44 |
11 |
13170 |
◊ |
C |
x,y,z |
1_555 |
46 |
15 |
12116 |
370.1 |
0.6 |
0.809 |
2 |
1 |
0 |
0.001 |
9 |
13 |
|
F |
45 |
11 |
11097 |
◊ |
C |
x-1,y,z |
1_455 |
34 |
9 |
12116 |
355.0 |
-3.7 |
0.423 |
2 |
2 |
0 |
0.039 |
10 |
14 |
|
H |
40 |
11 |
13170 |
◊ |
D |
x,y-1,z |
1_545 |
32 |
11 |
13086 |
354.3 |
0.7 |
0.766 |
6 |
6 |
0 |
0.000 |
11 |
15 |
|
G |
38 |
10 |
11860 |
◊ |
B |
x-1,y,z |
1_455 |
39 |
11 |
11208 |
317.3 |
-5.5 |
0.278 |
1 |
0 |
0 |
0.016 |
12 |
16 |
|
B |
30 |
11 |
11208 |
◊ |
F |
x,y,z-1 |
1_554 |
25 |
9 |
11097 |
259.4 |
-3.8 |
0.280 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
D |
30 |
9 |
13086 |
◊ |
C |
x,y,z |
1_555 |
31 |
8 |
12116 |
256.8 |
-5.6 |
0.194 |
0 |
0 |
0 |
0.030 |
18 |
|
H |
23 |
8 |
13170 |
◊ |
G |
x,y,z |
1_555 |
28 |
7 |
11860 |
206.2 |
-4.6 |
0.227 |
0 |
0 |
0 |
0.030 |
Average: |
231.5 |
-5.1 |
0.210 |
0 |
0 |
0 |
0.030 |
14 |
19 |
|
A |
25 |
6 |
10258 |
◊ |
C |
x-1,y,z |
1_455 |
27 |
9 |
12116 |
180.3 |
-0.3 |
0.692 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
A |
16 |
8 |
10258 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
4 |
11208 |
174.0 |
0.1 |
0.667 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
E |
17 |
6 |
10167 |
◊ |
D |
x,y-1,z |
1_545 |
19 |
9 |
13086 |
154.6 |
-0.6 |
0.597 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
G |
11 |
5 |
11860 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
18 |
7 |
10258 |
138.7 |
-0.6 |
0.599 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
C |
10 |
4 |
12116 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
11097 |
101.2 |
0.5 |
0.585 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
F |
13 |
4 |
11097 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
10167 |
99.8 |
-2.4 |
0.187 |
0 |
0 |
0 |
0.023 |
25 |
|
B |
11 |
4 |
11208 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10258 |
98.7 |
-2.4 |
0.170 |
0 |
0 |
0 |
0.023 |
Average: |
99.3 |
-2.4 |
0.179 |
0 |
0 |
0 |
0.023 |
20 |
26 |
|
H |
17 |
4 |
13170 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
10258 |
97.3 |
-0.1 |
0.634 |
2 |
4 |
0 |
0.004 |
21 |
27 |
|
[SO4]H:1004 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
13170 |
86.4 |
-10.6 |
0.904 |
4 |
0 |
0 |
0.259 |
22 |
28 |
|
[SO4]A:1002 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
10258 |
83.1 |
-10.7 |
0.859 |
4 |
0 |
0 |
0.171 |
23 |
29 |
|
[SO4]E:1006 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
14 |
4 |
10167 |
78.3 |
-11.7 |
0.751 |
4 |
0 |
0 |
0.290 |
24 |
30 |
|
[SO4]A:1001 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
10258 |
75.1 |
-11.2 |
0.758 |
4 |
0 |
0 |
0.177 |
25 |
31 |
|
[SO4]F:1005 |
5 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
6 |
4 |
11097 |
64.3 |
-7.4 |
0.968 |
2 |
0 |
0 |
0.067 |
26 |
32 |
|
[SO4]F:1005 |
4 |
1 |
186 |
f |
C |
x-1,y,z |
1_455 |
6 |
3 |
12116 |
63.4 |
-7.8 |
0.886 |
2 |
0 |
0 |
0.114 |
27 |
33 |
|
[SO4]A:1003 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10258 |
60.0 |
-7.9 |
0.813 |
3 |
0 |
0 |
0.127 |
28 |
34 |
|
A |
6 |
1 |
10258 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
1 |
13086 |
57.7 |
0.1 |
0.655 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
G |
6 |
4 |
11860 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10258 |
51.7 |
1.4 |
0.809 |
1 |
1 |
0 |
0.000 |
30 |
36 |
|
[SO4]A:1003 |
4 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
11097 |
44.0 |
-4.4 |
0.948 |
1 |
0 |
0 |
0.013 |
31 |
37 |
|
G |
6 |
4 |
11860 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
11208 |
40.1 |
1.5 |
0.828 |
1 |
1 |
0 |
0.000 |
32 |
38 |
|
[SO4]A:1003 |
4 |
1 |
187 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
11208 |
33.8 |
-2.7 |
0.976 |
2 |
0 |
0 |
0.000 |
33 |
39 |
|
E |
1 |
1 |
10167 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
10258 |
17.9 |
0.4 |
0.402 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[SO4]A:1003 |
1 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11860 |
16.1 |
-2.3 |
0.636 |
0 |
0 |
0 |
0.006 |
35 |
41 |
|
G |
1 |
1 |
11860 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12116 |
3.2 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[SO4]A:1002 |
1 |
1 |
186 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11208 |
2.3 |
-0.3 |
0.872 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[SO4]A:1001 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13086 |
1.4 |
-0.2 |
0.736 |
0 |
0 |
0 |
0.003 |
38 |
44 |
|
[SO4]E:1006 |
1 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
13170 |
1.0 |
-0.1 |
0.759 |
0 |
0 |
0 |
0.002 |
|