## |
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 |
216 |
56 |
7155 |
◊ |
C |
x,y,z |
1_555 |
219 |
54 |
7086 |
2337.2 |
-36.7 |
0.026 |
14 |
13 |
0 |
0.482 |
2 |
|
B |
214 |
54 |
7139 |
◊ |
A |
x,y,z |
1_555 |
206 |
53 |
7179 |
2250.6 |
-39.9 |
0.013 |
10 |
13 |
0 |
0.482 |
Average: |
2293.9 |
-38.3 |
0.020 |
12 |
13 |
0 |
0.482 |
2 |
3 |
|
C |
49 |
11 |
7086 |
◊ |
B |
x-1,y,z+1 |
1_456 |
43 |
13 |
7139 |
421.3 |
-1.4 |
0.692 |
1 |
0 |
0 |
0.026 |
3 |
4 |
|
C |
41 |
14 |
7086 |
◊ |
D |
x,y-1,z |
1_545 |
35 |
11 |
7155 |
366.5 |
-3.0 |
0.491 |
3 |
0 |
0 |
0.055 |
5 |
|
A |
39 |
10 |
7179 |
◊ |
B |
x-1,y,z |
1_455 |
38 |
14 |
7139 |
356.0 |
-1.7 |
0.631 |
4 |
0 |
0 |
0.055 |
Average: |
361.3 |
-2.4 |
0.561 |
4 |
0 |
0 |
0.055 |
4 |
6 |
|
D |
34 |
10 |
7155 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
9 |
7179 |
358.1 |
-3.8 |
0.428 |
4 |
2 |
0 |
0.000 |
7 |
|
B |
38 |
10 |
7139 |
◊ |
C |
x,y-1,z |
1_545 |
35 |
9 |
7086 |
340.4 |
-3.4 |
0.436 |
4 |
1 |
0 |
0.000 |
Average: |
349.2 |
-3.6 |
0.432 |
4 |
2 |
0 |
0.000 |
5 |
8 |
|
D |
22 |
6 |
7155 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
7139 |
239.3 |
-2.5 |
0.421 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
29 |
7 |
7179 |
x |
A |
x-1,y,z |
1_455 |
26 |
6 |
7179 |
238.4 |
-0.6 |
0.624 |
4 |
4 |
0 |
0.000 |
10 |
|
C |
24 |
8 |
7086 |
x |
C |
x,y-1,z |
1_545 |
12 |
5 |
7086 |
144.7 |
-0.3 |
0.643 |
2 |
0 |
0 |
0.000 |
Average: |
191.5 |
-0.4 |
0.634 |
3 |
2 |
0 |
0.000 |
7 |
11 |
|
[CIT]D:101 |
12 |
1 |
313 |
f |
D |
x,y,z |
1_555 |
32 |
14 |
7155 |
193.8 |
0.6 |
0.558 |
5 |
0 |
0 |
0.020 |
12 |
|
[CIT]B:101 |
12 |
1 |
317 |
f |
B |
x,y,z |
1_555 |
32 |
14 |
7139 |
189.7 |
1.0 |
0.575 |
5 |
0 |
0 |
0.020 |
Average: |
191.7 |
0.8 |
0.567 |
5 |
0 |
0 |
0.020 |
8 |
13 |
|
A |
17 |
7 |
7179 |
◊ |
C |
x,y,z-1 |
1_554 |
20 |
9 |
7086 |
183.8 |
-1.5 |
0.482 |
0 |
0 |
0 |
0.018 |
9 |
14 |
|
A |
21 |
5 |
7179 |
◊ |
D |
x,y-1,z-1 |
1_544 |
19 |
6 |
7155 |
182.0 |
-1.1 |
0.587 |
3 |
0 |
0 |
0.017 |
10 |
15 |
|
B |
18 |
5 |
7139 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
4 |
7179 |
135.6 |
0.7 |
0.780 |
1 |
0 |
0 |
0.000 |
16 |
|
D |
13 |
5 |
7155 |
◊ |
C |
x,y-1,z |
1_545 |
14 |
4 |
7086 |
115.5 |
0.7 |
0.768 |
1 |
0 |
0 |
0.000 |
Average: |
125.6 |
0.7 |
0.774 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
D |
11 |
5 |
7155 |
◊ |
B |
x-1,y,z+1 |
1_456 |
14 |
5 |
7139 |
106.2 |
-0.2 |
0.611 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
C |
15 |
5 |
7086 |
f |
[SO4]B:103 |
x-1,y,z+1 |
1_456 |
5 |
1 |
184 |
87.2 |
-12.0 |
0.885 |
5 |
0 |
0 |
0.200 |
13 |
19 |
|
[SO4]A:101 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
7179 |
84.5 |
-11.9 |
0.862 |
3 |
0 |
0 |
0.157 |
14 |
20 |
|
[SO4]A:102 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
7179 |
81.9 |
-11.8 |
0.767 |
2 |
0 |
0 |
0.151 |
15 |
21 |
|
[SO4]D:102 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
7155 |
81.2 |
-11.1 |
0.794 |
0 |
0 |
0 |
0.117 |
16 |
22 |
|
[SO4]B:102 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
7139 |
80.6 |
-11.1 |
0.839 |
3 |
0 |
0 |
0.175 |
17 |
23 |
|
[SO4]C:102 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
7086 |
78.5 |
-10.1 |
0.879 |
1 |
0 |
0 |
0.148 |
18 |
24 |
|
[SO4]C:101 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
7086 |
76.4 |
-10.1 |
0.875 |
4 |
0 |
0 |
0.167 |
19 |
25 |
|
[SO4]B:103 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
7139 |
69.8 |
-6.4 |
0.968 |
4 |
0 |
0 |
0.115 |
20 |
26 |
|
[SO4]A:102 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7139 |
68.1 |
-9.3 |
0.819 |
0 |
0 |
0 |
0.097 |
21 |
27 |
|
[SO4]D:102 |
5 |
1 |
185 |
◊ |
B |
x-1,y,z+1 |
1_456 |
10 |
5 |
7139 |
59.1 |
-7.3 |
0.868 |
2 |
0 |
0 |
0.037 |
22 |
28 |
|
A |
9 |
5 |
7179 |
◊ |
[SO4]C:101 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
58.0 |
-6.9 |
0.918 |
2 |
0 |
0 |
0.093 |
23 |
29 |
|
A |
7 |
2 |
7179 |
◊ |
[SO4]C:102 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
54.3 |
-7.2 |
0.585 |
0 |
0 |
0 |
0.086 |
24 |
30 |
|
C |
7 |
3 |
7086 |
◊ |
[SO4]B:102 |
x-1,y,z+1 |
1_456 |
4 |
1 |
184 |
48.0 |
-4.9 |
0.945 |
1 |
0 |
0 |
0.075 |
25 |
31 |
|
[CIT]D:101 |
5 |
1 |
313 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
7086 |
45.3 |
0.3 |
0.533 |
2 |
0 |
0 |
0.008 |
32 |
|
[CIT]B:101 |
5 |
1 |
317 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7179 |
39.9 |
0.1 |
0.464 |
2 |
0 |
0 |
0.008 |
Average: |
42.6 |
0.2 |
0.498 |
2 |
0 |
0 |
0.008 |
26 |
33 |
|
[SO4]A:101 |
4 |
1 |
184 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
7086 |
35.1 |
-4.1 |
0.770 |
1 |
0 |
0 |
0.054 |
27 |
34 |
|
[SO4]C:102 |
3 |
1 |
186 |
◊ |
B |
x-1,y,z+1 |
1_456 |
3 |
2 |
7139 |
30.1 |
-4.0 |
0.510 |
0 |
0 |
0 |
0.057 |
28 |
35 |
|
D |
1 |
1 |
7155 |
◊ |
B |
x-1,y+1,z+1 |
1_466 |
2 |
1 |
7139 |
15.1 |
0.0 |
0.408 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
A |
3 |
3 |
7179 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
3 |
7086 |
12.3 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
2 |
2 |
7086 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
7179 |
5.9 |
-0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
Average: |
9.1 |
0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
A |
3 |
1 |
7179 |
◊ |
[CIT]B:101 |
x-1,y,z |
1_455 |
1 |
1 |
317 |
12.1 |
-0.0 |
0.336 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
B |
1 |
1 |
7139 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
7139 |
10.2 |
0.2 |
0.829 |
0 |
0 |
0 |
0.000 |
40 |
|
D |
1 |
1 |
7155 |
x |
D |
x,y-1,z |
1_545 |
1 |
1 |
7155 |
7.2 |
0.2 |
0.826 |
0 |
0 |
0 |
0.000 |
Average: |
8.7 |
0.2 |
0.828 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
[SO4]B:103 |
2 |
1 |
184 |
◊ |
[SO4]B:102 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.5 |
-1.1 |
0.876 |
0 |
0 |
0 |
0.015 |
33 |
42 |
|
D |
1 |
1 |
7155 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7179 |
3.1 |
0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
[SO4]C:102 |
1 |
1 |
186 |
f |
[SO4]C:101 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.7 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.006 |
|