## |
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 |
|
K |
107 |
29 |
6638 |
◊ |
E |
x,y,z |
1_555 |
113 |
34 |
11967 |
1015.2 |
-3.2 |
0.484 |
20 |
3 |
0 |
0.300 |
2 |
|
H |
96 |
25 |
6724 |
◊ |
B |
x,y,z |
1_555 |
110 |
32 |
12044 |
1010.8 |
-4.4 |
0.305 |
20 |
3 |
0 |
0.300 |
3 |
|
G |
92 |
24 |
6552 |
◊ |
A |
x,y,z |
1_555 |
111 |
31 |
11969 |
1006.1 |
-3.8 |
0.352 |
20 |
2 |
0 |
0.300 |
4 |
|
L |
108 |
27 |
6490 |
◊ |
F |
x,y,z |
1_555 |
109 |
31 |
12045 |
988.6 |
-3.2 |
0.511 |
21 |
2 |
0 |
0.300 |
5 |
|
J |
81 |
20 |
6310 |
◊ |
D |
x,y,z |
1_555 |
94 |
29 |
11971 |
837.5 |
-1.9 |
0.395 |
17 |
3 |
0 |
0.300 |
6 |
|
I |
74 |
19 |
6337 |
◊ |
C |
x,y,z |
1_555 |
91 |
29 |
11962 |
821.1 |
-2.7 |
0.263 |
16 |
2 |
0 |
0.300 |
Average: |
946.5 |
-3.2 |
0.385 |
19 |
3 |
0 |
0.300 |
2 |
7 |
|
H |
42 |
13 |
6724 |
◊ |
H |
x,-y-1/2,-z-1/2 |
8_544 |
42 |
13 |
6724 |
506.9 |
4.1 |
0.920 |
10 |
0 |
0 |
0.023 |
8 |
|
G |
34 |
11 |
6552 |
◊ |
G |
x,-y-1/2,-z-1/2 |
8_544 |
34 |
11 |
6552 |
389.3 |
3.0 |
0.890 |
4 |
0 |
0 |
0.023 |
9 |
|
K |
41 |
13 |
6638 |
◊ |
K |
x,-y-1/2,-z-1/2 |
8_544 |
41 |
13 |
6638 |
376.4 |
1.0 |
0.799 |
10 |
0 |
0 |
0.023 |
10 |
|
L |
35 |
11 |
6490 |
◊ |
L |
-x,y,-z |
3_555 |
35 |
11 |
6490 |
349.5 |
1.3 |
0.821 |
6 |
0 |
0 |
0.023 |
11 |
|
J |
6 |
2 |
6310 |
◊ |
I |
x,-y-1,-z |
4_545 |
6 |
2 |
6337 |
55.4 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.023 |
Average: |
335.5 |
1.8 |
0.803 |
6 |
0 |
0 |
0.023 |
3 |
12 |
|
F |
43 |
12 |
12045 |
◊ |
F |
-x,-y,z |
2_555 |
43 |
12 |
12045 |
378.7 |
-1.7 |
0.469 |
6 |
0 |
0 |
0.044 |
13 |
|
D |
42 |
12 |
11971 |
◊ |
C |
x,y,z |
1_555 |
43 |
12 |
11962 |
374.5 |
-1.8 |
0.468 |
6 |
0 |
0 |
0.044 |
14 |
|
B |
43 |
12 |
12044 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
11969 |
371.4 |
-1.6 |
0.487 |
5 |
0 |
0 |
0.044 |
15 |
|
E |
41 |
12 |
11967 |
◊ |
E |
-x+1/2,-y-1/2,z |
14_545 |
41 |
12 |
11967 |
359.6 |
-1.5 |
0.492 |
7 |
0 |
0 |
0.044 |
Average: |
371.1 |
-1.6 |
0.479 |
6 |
0 |
0 |
0.044 |
4 |
16 |
|
C |
39 |
13 |
11962 |
◊ |
B |
x,y,z |
1_555 |
41 |
13 |
12044 |
376.6 |
-2.0 |
0.424 |
4 |
0 |
0 |
0.000 |
17 |
|
F |
41 |
13 |
12045 |
◊ |
E |
x,y,z |
1_555 |
39 |
13 |
11967 |
370.6 |
-2.3 |
0.400 |
4 |
0 |
0 |
0.000 |
18 |
|
A |
38 |
12 |
11969 |
◊ |
D |
x-1/2,y+1/2,z |
13_455 |
36 |
11 |
11971 |
361.7 |
-2.3 |
0.387 |
3 |
0 |
0 |
0.000 |
Average: |
369.7 |
-2.2 |
0.403 |
4 |
0 |
0 |
0.000 |
5 |
19 |
|
J |
31 |
14 |
6310 |
◊ |
C |
x,-y-1,-z |
4_545 |
33 |
11 |
11962 |
252.7 |
-2.8 |
0.351 |
1 |
0 |
0 |
0.081 |
20 |
|
I |
28 |
14 |
6337 |
◊ |
D |
x,-y-1,-z |
4_545 |
29 |
10 |
11971 |
238.4 |
-2.7 |
0.351 |
0 |
0 |
0 |
0.081 |
21 |
|
L |
30 |
13 |
6490 |
◊ |
F |
-x,y,-z |
3_555 |
28 |
11 |
12045 |
229.3 |
-2.7 |
0.357 |
1 |
0 |
0 |
0.081 |
22 |
|
G |
26 |
13 |
6552 |
◊ |
A |
x,-y-1/2,-z-1/2 |
8_544 |
30 |
10 |
11969 |
220.1 |
-2.7 |
0.330 |
0 |
0 |
0 |
0.081 |
23 |
|
H |
27 |
13 |
6724 |
◊ |
B |
x,-y-1/2,-z-1/2 |
8_544 |
30 |
10 |
12044 |
213.7 |
-2.8 |
0.316 |
0 |
0 |
0 |
0.081 |
24 |
|
K |
28 |
14 |
6638 |
◊ |
E |
x,-y-1/2,-z-1/2 |
8_544 |
28 |
11 |
11967 |
206.8 |
-3.0 |
0.302 |
1 |
0 |
0 |
0.081 |
Average: |
226.8 |
-2.8 |
0.335 |
1 |
0 |
0 |
0.081 |
6 |
25 |
|
H |
30 |
11 |
6724 |
◊ |
E |
x,-y-1/2,-z-1/2 |
8_544 |
25 |
6 |
11967 |
233.6 |
0.2 |
0.685 |
3 |
0 |
0 |
0.018 |
26 |
|
K |
29 |
11 |
6638 |
◊ |
B |
x,-y-1/2,-z-1/2 |
8_544 |
24 |
7 |
12044 |
227.4 |
-0.6 |
0.592 |
3 |
0 |
0 |
0.018 |
Average: |
230.5 |
-0.2 |
0.638 |
3 |
0 |
0 |
0.018 |
7 |
27 |
|
K |
19 |
7 |
6638 |
◊ |
E |
-x+1/2,y,-z-1/2 |
11_554 |
18 |
7 |
11967 |
184.0 |
-3.2 |
0.183 |
1 |
0 |
0 |
0.071 |
28 |
|
L |
20 |
7 |
6490 |
◊ |
F |
x,-y,-z |
4_555 |
18 |
7 |
12045 |
183.4 |
-3.1 |
0.198 |
1 |
0 |
0 |
0.071 |
29 |
|
I |
17 |
6 |
6337 |
◊ |
C |
x,-y-1,-z |
4_545 |
17 |
7 |
11962 |
166.7 |
-2.8 |
0.207 |
0 |
0 |
0 |
0.071 |
30 |
|
G |
17 |
6 |
6552 |
◊ |
B |
x,-y-1/2,-z-1/2 |
8_544 |
19 |
7 |
12044 |
164.5 |
-3.1 |
0.175 |
0 |
0 |
0 |
0.071 |
31 |
|
H |
18 |
6 |
6724 |
◊ |
A |
x,-y-1/2,-z-1/2 |
8_544 |
19 |
7 |
11969 |
156.2 |
-3.1 |
0.182 |
0 |
0 |
0 |
0.071 |
32 |
|
J |
17 |
6 |
6310 |
◊ |
D |
x,-y-1,-z |
4_545 |
16 |
7 |
11971 |
153.0 |
-3.2 |
0.154 |
0 |
0 |
0 |
0.071 |
Average: |
168.0 |
-3.1 |
0.183 |
0 |
0 |
0 |
0.071 |
8 |
33 |
|
J |
16 |
5 |
6310 |
◊ |
F |
-x+1/2,y-1/2,-z |
15_545 |
14 |
6 |
12045 |
115.4 |
-0.6 |
0.550 |
0 |
0 |
0 |
0.000 |
34 |
|
D |
12 |
6 |
11971 |
◊ |
L |
-x+1/2,y-1/2,-z |
15_545 |
14 |
5 |
6490 |
109.9 |
-0.8 |
0.504 |
0 |
0 |
0 |
0.000 |
Average: |
112.7 |
-0.7 |
0.527 |
0 |
0 |
0 |
0.000 |
9 |
35 |
|
[SO4]G:201 |
5 |
1 |
185 |
f |
A |
x,-y-1/2,-z-1/2 |
8_544 |
16 |
7 |
11969 |
93.7 |
-13.4 |
0.796 |
1 |
0 |
0 |
0.294 |
10 |
36 |
|
K |
13 |
5 |
6638 |
◊ |
H |
x,-y-1/2,-z-1/2 |
8_544 |
12 |
5 |
6724 |
91.8 |
0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
11 |
37 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
12044 |
90.3 |
-12.2 |
0.759 |
1 |
0 |
0 |
0.157 |
12 |
38 |
|
[SO4]B:301 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
12044 |
90.1 |
-13.4 |
0.827 |
3 |
0 |
0 |
0.183 |
13 |
39 |
|
[SO4]E:302 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
11967 |
89.6 |
-11.3 |
0.766 |
2 |
0 |
0 |
0.197 |
14 |
40 |
|
[SO4]B:303 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12044 |
87.9 |
-11.9 |
0.758 |
1 |
0 |
0 |
0.153 |
15 |
41 |
|
[SO4]F:301 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
12045 |
86.8 |
-12.7 |
0.832 |
3 |
0 |
0 |
0.336 |
16 |
42 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
12044 |
86.8 |
-13.2 |
0.765 |
3 |
0 |
0 |
0.180 |
17 |
43 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11969 |
86.0 |
-12.2 |
0.838 |
3 |
0 |
0 |
0.288 |
18 |
44 |
|
[SO4]C:301 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
11962 |
83.4 |
-12.2 |
0.830 |
2 |
0 |
0 |
0.323 |
19 |
45 |
|
[SO4]E:301 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
11967 |
83.3 |
-10.1 |
0.831 |
0 |
0 |
0 |
0.164 |
20 |
46 |
|
[SO4]L:201 |
5 |
1 |
185 |
f |
F |
-x,y,-z |
3_555 |
14 |
6 |
12045 |
72.0 |
-8.4 |
0.825 |
2 |
0 |
0 |
0.223 |
21 |
47 |
|
[SO4]I:201 |
5 |
1 |
186 |
f |
D |
x,-y-1,-z |
4_545 |
10 |
6 |
11971 |
71.0 |
-8.2 |
0.865 |
2 |
0 |
0 |
0.091 |
22 |
48 |
|
[SO4]J:201 |
5 |
1 |
185 |
f |
C |
x,-y-1,-z |
4_545 |
12 |
5 |
11962 |
64.5 |
-8.1 |
0.795 |
2 |
0 |
0 |
0.223 |
23 |
49 |
|
[SO4]J:201 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
9 |
5 |
6310 |
60.3 |
-7.8 |
0.815 |
2 |
0 |
0 |
0.214 |
24 |
50 |
|
[SO4]I:201 |
5 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
6337 |
60.0 |
-7.8 |
0.774 |
2 |
0 |
0 |
0.087 |
25 |
51 |
|
[CL]E:304 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
6 |
11967 |
59.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.130 |
52 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
11971 |
57.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
58.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.130 |
26 |
53 |
|
[SO4]L:201 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
7 |
5 |
6490 |
58.3 |
-8.2 |
0.664 |
1 |
0 |
0 |
0.209 |
27 |
54 |
|
[SO4]B:305 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12044 |
57.8 |
-6.5 |
0.822 |
1 |
0 |
0 |
0.086 |
28 |
55 |
|
[SO4]E:303 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
11967 |
56.4 |
-6.9 |
0.810 |
1 |
0 |
0 |
0.119 |
29 |
56 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
11969 |
54.9 |
-6.2 |
0.826 |
1 |
0 |
0 |
0.142 |
30 |
57 |
|
[SO4]F:302 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
12045 |
52.3 |
-6.1 |
0.806 |
1 |
0 |
0 |
0.158 |
31 |
58 |
|
[CL]K:201 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
6 |
3 |
6638 |
51.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.108 |
32 |
59 |
|
[SO4]E:301 |
4 |
1 |
186 |
◊ |
K |
x,-y-1/2,-z-1/2 |
8_544 |
6 |
4 |
6638 |
48.4 |
-6.8 |
0.671 |
1 |
0 |
0 |
0.112 |
33 |
60 |
|
[SO4]C:302 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
11962 |
48.2 |
-5.5 |
0.861 |
2 |
0 |
0 |
0.159 |
34 |
61 |
|
[SO4]D:301 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
11971 |
47.6 |
-5.5 |
0.853 |
1 |
0 |
0 |
0.060 |
35 |
62 |
|
[SO4]C:303 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
11962 |
43.7 |
-4.9 |
0.733 |
2 |
0 |
0 |
0.058 |
36 |
63 |
|
[SO4]C:303 |
5 |
1 |
184 |
cf |
D |
x,y,z |
1_555 |
4 |
2 |
11971 |
43.1 |
-5.6 |
0.866 |
0 |
0 |
0 |
0.056 |
37 |
64 |
|
[SO4]B:302 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
6724 |
40.8 |
-4.8 |
0.855 |
2 |
0 |
0 |
0.070 |
38 |
65 |
|
[SO4]B:303 |
4 |
1 |
184 |
◊ |
H |
x,-y-1/2,-z-1/2 |
8_544 |
7 |
4 |
6724 |
38.5 |
-5.2 |
0.763 |
1 |
0 |
0 |
0.063 |
39 |
66 |
|
[SO4]E:302 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
4 |
3 |
6638 |
36.6 |
-4.9 |
0.521 |
0 |
0 |
0 |
0.079 |
40 |
67 |
|
[SO4]E:303 |
4 |
1 |
187 |
◊ |
K |
-x+1/2,y,-z-1/2 |
11_554 |
2 |
1 |
6638 |
34.5 |
-3.8 |
0.924 |
1 |
0 |
0 |
0.064 |
41 |
68 |
|
[SO4]G:201 |
3 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
6 |
4 |
6552 |
34.0 |
-4.3 |
0.738 |
0 |
0 |
0 |
0.027 |
42 |
69 |
|
[SO4]A:302 |
3 |
1 |
185 |
◊ |
H |
x,-y-1/2,-z-1/2 |
8_544 |
5 |
2 |
6724 |
33.6 |
-4.2 |
0.736 |
0 |
0 |
0 |
0.026 |
43 |
70 |
|
[SO4]F:302 |
1 |
1 |
186 |
◊ |
L |
x,-y,-z |
4_555 |
2 |
1 |
6490 |
29.7 |
-3.8 |
0.814 |
0 |
0 |
0 |
0.076 |
44 |
71 |
|
[CL]K:201 |
1 |
1 |
125 |
◊ |
B |
x,-y-1/2,-z-1/2 |
8_544 |
1 |
1 |
12044 |
22.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
45 |
72 |
|
[SO4]B:305 |
2 |
1 |
184 |
◊ |
G |
x,-y-1/2,-z-1/2 |
8_544 |
4 |
1 |
6552 |
20.2 |
-2.6 |
0.731 |
0 |
0 |
0 |
0.017 |
46 |
73 |
|
[SO4]C:302 |
3 |
1 |
186 |
◊ |
I |
x,-y-1,-z |
4_545 |
3 |
1 |
6337 |
19.5 |
-2.3 |
0.802 |
0 |
0 |
0 |
0.023 |
47 |
74 |
|
E |
2 |
1 |
11967 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12044 |
16.1 |
0.3 |
0.521 |
0 |
0 |
0 |
0.000 |
48 |
75 |
|
[SO4]D:301 |
1 |
1 |
185 |
◊ |
J |
x,-y-1,-z |
4_545 |
2 |
1 |
6310 |
14.4 |
-1.7 |
0.738 |
0 |
0 |
0 |
0.017 |
49 |
76 |
|
J |
1 |
1 |
6310 |
◊ |
L |
-x+1/2,y-1/2,-z |
15_545 |
1 |
1 |
6490 |
8.4 |
0.4 |
0.836 |
0 |
0 |
0 |
0.000 |
50 |
77 |
|
[SO4]E:302 |
1 |
1 |
185 |
◊ |
H |
x,-y-1/2,-z-1/2 |
8_544 |
2 |
2 |
6724 |
6.3 |
-0.7 |
0.767 |
0 |
0 |
0 |
0.004 |
51 |
78 |
|
L |
2 |
2 |
6490 |
◊ |
L |
x,-y,-z |
4_555 |
2 |
2 |
6490 |
0.3 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
|