| ## |
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 |
|
E |
72 |
19 |
7557 |
◊ |
C |
x,y,z |
1_555 |
71 |
22 |
7770 |
606.8 |
-4.6 |
0.399 |
6 |
0 |
0 |
0.098 |
2 |
|
D |
67 |
20 |
7679 |
◊ |
A |
x,y,z |
1_555 |
60 |
19 |
7892 |
556.8 |
-5.3 |
0.288 |
6 |
0 |
0 |
0.098 |
| Average: |
581.8 |
-4.9 |
0.343 |
6 |
0 |
0 |
0.098 |
| 2 |
3 |
|
B |
57 |
15 |
7119 |
◊ |
A |
x,y,z |
1_555 |
75 |
20 |
7892 |
595.7 |
-4.3 |
0.344 |
3 |
0 |
0 |
0.003 |
| 3 |
4 |
|
C |
55 |
21 |
7770 |
◊ |
B |
x,y,z |
1_555 |
61 |
23 |
7119 |
524.2 |
-0.6 |
0.681 |
3 |
0 |
0 |
0.011 |
| 4 |
5 |
|
A |
55 |
18 |
7892 |
◊ |
D |
x-1,y,z |
1_455 |
56 |
17 |
7679 |
481.3 |
-0.3 |
0.670 |
1 |
0 |
0 |
0.000 |
6 |
|
C |
54 |
18 |
7770 |
◊ |
E |
x-1,y,z |
1_455 |
51 |
15 |
7557 |
462.8 |
-1.8 |
0.549 |
2 |
0 |
0 |
0.000 |
| Average: |
472.1 |
-1.0 |
0.609 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
D |
32 |
6 |
7679 |
◊ |
A |
x,y-1,z |
1_545 |
45 |
11 |
7892 |
330.6 |
-2.0 |
0.483 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
36 |
9 |
7770 |
◊ |
B |
x,y-1,z |
1_545 |
29 |
8 |
7119 |
285.2 |
0.1 |
0.680 |
1 |
2 |
0 |
0.000 |
| 7 |
9 |
|
C |
24 |
8 |
7770 |
◊ |
A |
x,y-1,z |
1_545 |
29 |
10 |
7892 |
275.1 |
2.9 |
0.786 |
3 |
2 |
0 |
0.000 |
| 8 |
10 |
|
C |
23 |
7 |
7770 |
◊ |
E |
x-1,y-1,z |
1_445 |
30 |
10 |
7557 |
236.8 |
0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
C |
22 |
6 |
7770 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
21 |
6 |
7892 |
175.2 |
-3.3 |
0.157 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
17 |
6 |
7770 |
◊ |
A |
x,y-1,z-1 |
1_544 |
18 |
6 |
7892 |
136.0 |
-3.7 |
0.089 |
0 |
0 |
0 |
0.000 |
| Average: |
155.6 |
-3.5 |
0.123 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
B |
20 |
10 |
7119 |
◊ |
A |
x,y-1,z |
1_545 |
17 |
8 |
7892 |
168.3 |
-0.5 |
0.570 |
0 |
0 |
0 |
0.003 |
| 11 |
14 |
|
E |
16 |
4 |
7557 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
17 |
7 |
7679 |
157.7 |
-3.0 |
0.156 |
0 |
0 |
0 |
0.000 |
15 |
|
E |
18 |
5 |
7557 |
◊ |
D |
x,y-1,z-1 |
1_544 |
15 |
3 |
7679 |
153.5 |
-3.1 |
0.162 |
0 |
0 |
0 |
0.000 |
| Average: |
155.6 |
-3.0 |
0.159 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
E |
12 |
5 |
7557 |
◊ |
D |
x,y,z-1 |
1_554 |
10 |
3 |
7679 |
121.8 |
-0.6 |
0.489 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[TB]C:202 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
7770 |
113.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.262 |
18 |
|
[TB]A:201 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
7892 |
97.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.262 |
19 |
|
[TB]C:201 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
7770 |
85.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.262 |
20 |
|
[TB]E:202 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
7557 |
82.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.262 |
| Average: |
94.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.262 |
| 14 |
21 |
|
[SO4]E:203 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
7557 |
103.2 |
-13.8 |
0.891 |
3 |
0 |
0 |
0.166 |
| 15 |
22 |
|
[SO4]D:202 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
7679 |
101.0 |
-13.2 |
0.880 |
2 |
0 |
0 |
0.091 |
| 16 |
23 |
|
[SO4]C:204 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
7770 |
88.2 |
-13.4 |
0.805 |
3 |
0 |
0 |
0.162 |
| 17 |
24 |
|
[TB]A:202 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
7679 |
87.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.121 |
25 |
|
[TB]C:205 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
7557 |
86.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.121 |
26 |
|
[TB]C:205 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
7770 |
85.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.121 |
27 |
|
[TB]A:202 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7892 |
82.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
85.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.121 |
| 18 |
28 |
|
[SO4]D:203 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
7679 |
81.7 |
-12.1 |
0.750 |
0 |
0 |
0 |
0.078 |
| 19 |
29 |
|
C |
7 |
2 |
7770 |
◊ |
B |
x-1,y-1,z |
1_445 |
10 |
3 |
7119 |
71.5 |
-0.4 |
0.522 |
0 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[SO4]B:202 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7119 |
70.3 |
-9.8 |
0.766 |
1 |
0 |
0 |
0.100 |
| 21 |
31 |
|
[SO4]C:203 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
7770 |
69.8 |
-9.7 |
0.755 |
0 |
0 |
0 |
0.107 |
| 22 |
32 |
|
C |
15 |
5 |
7770 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
11 |
5 |
7679 |
67.1 |
-1.3 |
0.330 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
E |
11 |
4 |
7557 |
◊ |
A |
x,y-1,z-1 |
1_544 |
9 |
4 |
7892 |
66.3 |
-1.6 |
0.222 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
E |
10 |
4 |
7557 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
5 |
2 |
7892 |
59.9 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
E |
9 |
6 |
7557 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
7119 |
58.0 |
0.3 |
0.699 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
B |
6 |
1 |
7119 |
x |
B |
x-1,y,z |
1_455 |
8 |
4 |
7119 |
53.8 |
1.5 |
0.823 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[SO4]C:203 |
4 |
1 |
184 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
7892 |
49.2 |
-5.7 |
0.863 |
0 |
0 |
0 |
0.037 |
| 28 |
38 |
|
[SO4]C:204 |
4 |
1 |
184 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
5 |
7892 |
47.7 |
-5.0 |
0.920 |
0 |
0 |
0 |
0.032 |
| 29 |
39 |
|
[SO4]C:203 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
7119 |
44.2 |
-4.7 |
0.861 |
0 |
0 |
0 |
0.027 |
| 30 |
40 |
|
[TB]E:202 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
7770 |
43.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.031 |
| 31 |
41 |
|
[SO4]B:202 |
4 |
1 |
183 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
2 |
7557 |
36.9 |
-4.1 |
0.932 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[TB]C:202 |
1 |
1 |
216 |
f |
[TB]C:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
36.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.040 |
| 33 |
43 |
|
[SO4]B:202 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7770 |
34.1 |
-3.2 |
0.979 |
1 |
0 |
0 |
0.021 |
| 34 |
44 |
|
[TB]E:202 |
1 |
1 |
216 |
f |
[TB]E:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
33.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.037 |
| 35 |
45 |
|
C |
2 |
1 |
7770 |
◊ |
D |
x,y-1,z-1 |
1_544 |
5 |
3 |
7679 |
23.3 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
| 36 |
46 |
|
[TB]E:202 |
1 |
1 |
216 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
4 |
2 |
7679 |
21.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
C |
4 |
2 |
7770 |
◊ |
[TB]A:201 |
x-1,y-1,z-1 |
1_444 |
1 |
1 |
216 |
12.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[TB]C:201 |
1 |
1 |
216 |
◊ |
A |
x,y-1,z-1 |
1_544 |
1 |
1 |
7892 |
7.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
13.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 37 |
49 |
|
[TB]B:201 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
7892 |
19.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 38 |
50 |
|
B |
1 |
1 |
7119 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
7557 |
11.4 |
0.3 |
0.816 |
0 |
0 |
0 |
0.000 |
| 39 |
51 |
|
E |
1 |
1 |
7557 |
◊ |
[SO4]D:202 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
11.3 |
-1.0 |
0.902 |
0 |
0 |
0 |
0.000 |
| 40 |
52 |
|
[TB]C:202 |
1 |
1 |
216 |
◊ |
D |
x,y-1,z-1 |
1_544 |
2 |
1 |
7679 |
8.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
E |
1 |
1 |
7557 |
◊ |
[TB]A:201 |
x-1,y-1,z-1 |
1_444 |
1 |
1 |
216 |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
4.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
54 |
|
[TB]A:201 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7679 |
7.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
55 |
|
[TB]C:201 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
7557 |
6.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
56 |
|
[TB]E:201 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
7770 |
6.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
57 |
|
[TB]D:201 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7892 |
3.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
6.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 42 |
58 |
|
B |
1 |
1 |
7119 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
7679 |
3.2 |
0.1 |
0.709 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
D |
2 |
2 |
7679 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7119 |
0.4 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
|