## |
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 |
|
A |
55 |
14 |
12814 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
65 |
16 |
12894 |
508.7 |
1.0 |
0.705 |
6 |
4 |
0 |
0.000 |
2 |
|
G |
56 |
17 |
12426 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
52 |
12 |
12972 |
488.0 |
0.1 |
0.621 |
4 |
2 |
0 |
0.000 |
Average: |
498.3 |
0.5 |
0.663 |
5 |
3 |
0 |
0.000 |
2 |
3 |
|
B |
47 |
10 |
13346 |
◊ |
H |
-x,y-1/2,-z-1/2 |
3_544 |
63 |
15 |
12857 |
467.3 |
-0.8 |
0.471 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
46 |
13 |
12972 |
◊ |
A |
x,y,z |
1_555 |
65 |
23 |
12814 |
467.0 |
-1.4 |
0.497 |
6 |
0 |
0 |
0.000 |
5 |
|
B |
56 |
18 |
13346 |
◊ |
A |
x,y,z |
1_555 |
42 |
10 |
12814 |
466.6 |
-0.9 |
0.510 |
6 |
0 |
0 |
0.000 |
6 |
|
K |
43 |
11 |
12894 |
◊ |
J |
x,y,z |
1_555 |
60 |
20 |
12707 |
465.5 |
-0.1 |
0.580 |
7 |
1 |
0 |
0.000 |
7 |
|
H |
59 |
20 |
12857 |
◊ |
G |
x,y,z |
1_555 |
43 |
11 |
12426 |
464.1 |
-0.8 |
0.554 |
7 |
1 |
0 |
0.000 |
8 |
|
I |
43 |
11 |
12843 |
◊ |
G |
x,y,z |
1_555 |
57 |
19 |
12426 |
464.0 |
-1.4 |
0.492 |
6 |
0 |
0 |
0.000 |
9 |
|
F |
42 |
12 |
12931 |
◊ |
D |
x,y,z |
1_555 |
60 |
19 |
12894 |
462.7 |
-0.7 |
0.570 |
6 |
0 |
0 |
0.000 |
10 |
|
I |
61 |
19 |
12843 |
◊ |
H |
x,y,z |
1_555 |
45 |
13 |
12857 |
462.6 |
-1.0 |
0.525 |
6 |
0 |
0 |
0.000 |
11 |
|
L |
44 |
10 |
12859 |
◊ |
K |
x,y,z |
1_555 |
60 |
20 |
12894 |
461.1 |
-0.8 |
0.573 |
6 |
0 |
0 |
0.000 |
12 |
|
F |
63 |
21 |
12931 |
◊ |
E |
x,y,z |
1_555 |
43 |
12 |
12587 |
459.7 |
-1.4 |
0.528 |
7 |
0 |
0 |
0.000 |
13 |
|
L |
59 |
19 |
12859 |
◊ |
J |
x,y,z |
1_555 |
43 |
11 |
12707 |
456.5 |
-1.6 |
0.459 |
7 |
1 |
0 |
0.000 |
14 |
|
C |
57 |
21 |
12972 |
◊ |
B |
x,y,z |
1_555 |
45 |
14 |
13346 |
455.7 |
-0.7 |
0.533 |
6 |
0 |
0 |
0.000 |
15 |
|
E |
53 |
19 |
12587 |
◊ |
D |
x,y,z |
1_555 |
40 |
10 |
12894 |
440.3 |
-1.6 |
0.488 |
6 |
0 |
0 |
0.000 |
Average: |
460.5 |
-1.0 |
0.526 |
6 |
0 |
0 |
0.000 |
4 |
16 |
|
J |
45 |
15 |
12707 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
13346 |
458.3 |
-5.4 |
0.121 |
3 |
1 |
0 |
0.000 |
17 |
|
F |
36 |
11 |
12931 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
12814 |
405.3 |
-5.3 |
0.117 |
4 |
1 |
0 |
0.000 |
18 |
|
K |
38 |
13 |
12894 |
◊ |
D |
x,y,z |
1_555 |
34 |
11 |
12894 |
391.6 |
-3.8 |
0.239 |
4 |
1 |
0 |
0.000 |
19 |
|
I |
40 |
11 |
12843 |
◊ |
B |
x,y,z |
1_555 |
39 |
14 |
13346 |
386.3 |
-3.9 |
0.217 |
3 |
1 |
0 |
0.000 |
20 |
|
K |
36 |
12 |
12894 |
◊ |
C |
x,y,z |
1_555 |
37 |
15 |
12972 |
355.2 |
-4.5 |
0.183 |
2 |
0 |
0 |
0.000 |
21 |
|
L |
36 |
11 |
12859 |
◊ |
E |
x,y,z |
1_555 |
34 |
14 |
12587 |
352.4 |
-4.7 |
0.153 |
1 |
1 |
0 |
0.000 |
22 |
|
L |
42 |
14 |
12859 |
◊ |
H |
x,y,z |
1_555 |
29 |
10 |
12857 |
332.3 |
-3.8 |
0.206 |
2 |
1 |
0 |
0.000 |
23 |
|
D |
35 |
12 |
12894 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
12972 |
319.4 |
-4.4 |
0.164 |
1 |
0 |
0 |
0.000 |
24 |
|
H |
39 |
15 |
12857 |
◊ |
E |
x,y,z |
1_555 |
30 |
9 |
12587 |
315.7 |
-4.3 |
0.173 |
2 |
1 |
0 |
0.000 |
25 |
|
G |
32 |
11 |
12426 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
12814 |
299.6 |
-5.0 |
0.102 |
2 |
0 |
0 |
0.000 |
26 |
|
G |
27 |
9 |
12426 |
◊ |
F |
x,y,z |
1_555 |
28 |
8 |
12931 |
274.4 |
-4.0 |
0.142 |
1 |
1 |
0 |
0.000 |
27 |
|
J |
27 |
9 |
12707 |
◊ |
I |
x,y,z |
1_555 |
30 |
8 |
12843 |
273.7 |
-3.8 |
0.163 |
2 |
1 |
0 |
0.000 |
Average: |
347.0 |
-4.4 |
0.165 |
2 |
1 |
0 |
0.000 |
5 |
28 |
|
I |
29 |
9 |
12843 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
8 |
12587 |
258.6 |
1.3 |
0.741 |
2 |
0 |
0 |
0.000 |
6 |
29 |
|
J |
31 |
7 |
12707 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
40 |
12 |
12587 |
254.1 |
-1.5 |
0.444 |
1 |
0 |
0 |
0.000 |
7 |
30 |
|
B |
29 |
9 |
13346 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
8 |
12587 |
242.7 |
0.5 |
0.637 |
1 |
0 |
0 |
0.000 |
8 |
31 |
|
[FLC]I:403 |
11 |
1 |
320 |
f |
I |
x,y,z |
1_555 |
17 |
6 |
12843 |
146.8 |
0.0 |
0.403 |
3 |
0 |
0 |
0.011 |
32 |
|
[FLC]E:403 |
11 |
1 |
308 |
f |
E |
x,y,z |
1_555 |
21 |
6 |
12587 |
142.5 |
-0.5 |
0.379 |
6 |
0 |
0 |
0.011 |
33 |
|
[FLC]K:403 |
11 |
1 |
318 |
cf |
K |
x,y,z |
1_555 |
16 |
5 |
12894 |
142.4 |
0.6 |
0.431 |
2 |
0 |
0 |
0.011 |
34 |
|
[FLC]D:403 |
11 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
12894 |
129.3 |
-1.7 |
0.210 |
2 |
0 |
0 |
0.011 |
35 |
|
[FLC]J:403 |
11 |
1 |
312 |
f |
J |
x,y,z |
1_555 |
16 |
6 |
12707 |
126.0 |
-1.4 |
0.212 |
2 |
0 |
0 |
0.011 |
36 |
|
[FLC]A:403 |
11 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
12814 |
125.5 |
-1.5 |
0.215 |
2 |
0 |
0 |
0.011 |
Average: |
135.4 |
-0.7 |
0.308 |
3 |
0 |
0 |
0.011 |
9 |
37 |
|
[FLC]H:403 |
11 |
1 |
310 |
f |
H |
x,y,z |
1_555 |
18 |
5 |
12857 |
139.2 |
-0.9 |
0.305 |
3 |
0 |
0 |
0.011 |
38 |
|
[FLC]C:403 |
12 |
1 |
315 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
12972 |
138.1 |
-0.1 |
0.372 |
6 |
0 |
0 |
0.011 |
Average: |
138.7 |
-0.5 |
0.338 |
5 |
0 |
0 |
0.011 |
10 |
39 |
|
[FLC]B:403 |
12 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
13346 |
134.2 |
-0.5 |
0.357 |
6 |
0 |
0 |
0.012 |
40 |
|
[FLC]L:403 |
11 |
1 |
312 |
f |
L |
x,y,z |
1_555 |
15 |
6 |
12859 |
133.0 |
-0.2 |
0.411 |
6 |
0 |
0 |
0.012 |
41 |
|
[FLC]G:403 |
12 |
1 |
308 |
f |
G |
x,y,z |
1_555 |
15 |
6 |
12426 |
132.1 |
-0.7 |
0.353 |
4 |
0 |
0 |
0.012 |
42 |
|
[FLC]F:403 |
12 |
1 |
309 |
f |
F |
x,y,z |
1_555 |
15 |
6 |
12931 |
126.2 |
-1.4 |
0.219 |
4 |
0 |
0 |
0.012 |
Average: |
131.4 |
-0.7 |
0.335 |
5 |
0 |
0 |
0.012 |
11 |
43 |
|
[FLC]K:403 |
8 |
1 |
318 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
12972 |
110.6 |
0.8 |
0.493 |
2 |
0 |
0 |
0.000 |
44 |
|
[FLC]I:403 |
7 |
1 |
320 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
13346 |
105.5 |
0.8 |
0.505 |
2 |
0 |
0 |
0.000 |
45 |
|
[FLC]A:403 |
7 |
1 |
308 |
◊ |
G |
x,y,z |
1_555 |
15 |
7 |
12426 |
102.0 |
0.1 |
0.475 |
1 |
0 |
0 |
0.000 |
46 |
|
[FLC]E:403 |
7 |
1 |
308 |
◊ |
H |
x,y,z |
1_555 |
16 |
7 |
12857 |
100.1 |
0.4 |
0.512 |
1 |
0 |
0 |
0.000 |
47 |
|
[FLC]J:403 |
7 |
1 |
312 |
◊ |
I |
x,y,z |
1_555 |
13 |
7 |
12843 |
98.8 |
-0.0 |
0.431 |
2 |
0 |
0 |
0.000 |
48 |
|
[FLC]D:403 |
7 |
1 |
308 |
◊ |
K |
x,y,z |
1_555 |
14 |
7 |
12894 |
98.6 |
0.5 |
0.522 |
1 |
0 |
0 |
0.000 |
Average: |
102.6 |
0.4 |
0.490 |
2 |
0 |
0 |
0.000 |
12 |
49 |
|
[FLC]C:403 |
8 |
1 |
315 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
12894 |
110.2 |
0.9 |
0.548 |
1 |
0 |
0 |
0.000 |
13 |
50 |
|
[FLC]L:403 |
8 |
1 |
312 |
◊ |
E |
x,y,z |
1_555 |
14 |
7 |
12587 |
109.2 |
0.5 |
0.458 |
2 |
0 |
0 |
0.000 |
51 |
|
[FLC]B:403 |
8 |
1 |
308 |
◊ |
J |
x,y,z |
1_555 |
14 |
7 |
12707 |
103.0 |
0.5 |
0.440 |
2 |
0 |
0 |
0.000 |
52 |
|
[FLC]G:403 |
8 |
1 |
308 |
◊ |
F |
x,y,z |
1_555 |
14 |
7 |
12931 |
101.7 |
-0.3 |
0.401 |
2 |
0 |
0 |
0.000 |
53 |
|
[FLC]F:403 |
7 |
1 |
309 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
12814 |
97.6 |
-0.1 |
0.390 |
2 |
0 |
0 |
0.000 |
Average: |
102.9 |
0.2 |
0.422 |
2 |
0 |
0 |
0.000 |
14 |
54 |
|
[FLC]H:403 |
8 |
1 |
310 |
◊ |
L |
x,y,z |
1_555 |
16 |
7 |
12859 |
99.9 |
0.4 |
0.505 |
1 |
0 |
0 |
0.000 |
15 |
55 |
|
[SO4]J:402 |
5 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
15 |
3 |
12707 |
96.6 |
-12.5 |
0.788 |
3 |
0 |
0 |
0.051 |
16 |
56 |
|
[SO4]G:402 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
15 |
3 |
12426 |
94.2 |
-10.8 |
0.935 |
4 |
0 |
0 |
0.048 |
17 |
57 |
|
[SO4]E:402 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
12587 |
92.7 |
-11.9 |
0.891 |
3 |
0 |
0 |
0.046 |
18 |
58 |
|
[SO4]H:401 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
12857 |
92.5 |
-11.4 |
0.917 |
4 |
0 |
0 |
0.050 |
19 |
59 |
|
[SO4]I:401 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
12 |
7 |
12843 |
91.4 |
-11.5 |
0.914 |
2 |
0 |
0 |
0.051 |
20 |
60 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12814 |
90.8 |
-12.0 |
0.836 |
4 |
0 |
0 |
0.049 |
21 |
61 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
13346 |
90.6 |
-11.8 |
0.842 |
3 |
0 |
0 |
0.051 |
22 |
62 |
|
[SO4]L:401 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
15 |
6 |
12859 |
89.9 |
-11.2 |
0.891 |
2 |
0 |
0 |
0.047 |
23 |
63 |
|
[SO4]D:401 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
12894 |
89.6 |
-10.9 |
0.908 |
2 |
0 |
0 |
0.047 |
24 |
64 |
|
[SO4]K:401 |
5 |
1 |
186 |
f |
K |
x,y,z |
1_555 |
14 |
6 |
12894 |
87.5 |
-12.4 |
0.855 |
2 |
0 |
0 |
0.054 |
25 |
65 |
|
[SO4]E:401 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
12587 |
87.3 |
-11.1 |
0.832 |
3 |
0 |
0 |
0.043 |
26 |
66 |
|
[SO4]F:401 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
12931 |
85.5 |
-11.8 |
0.814 |
3 |
0 |
0 |
0.048 |
27 |
67 |
|
[SO4]C:401 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12972 |
84.4 |
-10.7 |
0.921 |
4 |
0 |
0 |
0.051 |
28 |
68 |
|
[SO4]J:401 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
10 |
6 |
12707 |
84.3 |
-9.9 |
0.938 |
3 |
0 |
0 |
0.041 |
29 |
69 |
|
[SO4]A:402 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12814 |
81.7 |
-11.4 |
0.706 |
1 |
0 |
0 |
0.042 |
30 |
70 |
|
[SO4]G:401 |
5 |
1 |
185 |
cf |
G |
x,y,z |
1_555 |
9 |
5 |
12426 |
78.1 |
-10.2 |
0.928 |
2 |
0 |
0 |
0.043 |
31 |
71 |
|
[SO4]L:402 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
12 |
3 |
12859 |
77.7 |
-10.6 |
0.661 |
0 |
0 |
0 |
0.041 |
32 |
72 |
|
[SO4]F:402 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
15 |
4 |
12931 |
76.3 |
-10.3 |
0.776 |
2 |
0 |
0 |
0.041 |
33 |
73 |
|
[SO4]K:402 |
5 |
1 |
184 |
f |
K |
x,y,z |
1_555 |
10 |
3 |
12894 |
76.2 |
-10.7 |
0.642 |
1 |
0 |
0 |
0.045 |
34 |
74 |
|
[SO4]D:402 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
12894 |
76.1 |
-10.4 |
0.826 |
1 |
0 |
0 |
0.043 |
35 |
75 |
|
[SO4]B:402 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13346 |
76.0 |
-9.5 |
0.825 |
0 |
0 |
0 |
0.037 |
36 |
76 |
|
[SO4]I:402 |
4 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
12 |
3 |
12843 |
75.8 |
-10.2 |
0.710 |
1 |
0 |
0 |
0.044 |
37 |
77 |
|
[SO4]C:402 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
3 |
12972 |
75.5 |
-8.9 |
0.954 |
1 |
0 |
0 |
0.038 |
38 |
78 |
|
[SO4]H:402 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
12 |
3 |
12857 |
74.7 |
-10.3 |
0.712 |
1 |
0 |
0 |
0.041 |
39 |
79 |
|
J |
4 |
1 |
12707 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
12972 |
58.6 |
1.5 |
0.797 |
0 |
0 |
0 |
0.000 |
80 |
|
D |
1 |
1 |
12894 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
12814 |
4.0 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
Average: |
31.3 |
0.7 |
0.700 |
0 |
0 |
0 |
0.000 |
40 |
81 |
|
F |
5 |
2 |
12931 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
12972 |
42.9 |
0.7 |
0.774 |
0 |
0 |
0 |
0.000 |
82 |
|
A |
5 |
3 |
12814 |
◊ |
K |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
12894 |
42.8 |
0.5 |
0.715 |
0 |
0 |
0 |
0.000 |
Average: |
42.9 |
0.6 |
0.744 |
0 |
0 |
0 |
0.000 |
41 |
83 |
|
A |
3 |
1 |
12814 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
12972 |
17.3 |
0.3 |
0.715 |
0 |
0 |
0 |
0.000 |
42 |
84 |
|
B |
2 |
2 |
13346 |
◊ |
L |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
12859 |
15.6 |
0.3 |
0.497 |
0 |
0 |
0 |
0.000 |
|