| ## |
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 |
|
J |
78 |
21 |
3307 |
◊ |
B |
x,y,z |
1_555 |
92 |
24 |
13716 |
802.9 |
-6.2 |
0.534 |
10 |
0 |
0 |
0.401 |
2 |
|
I |
76 |
22 |
3319 |
◊ |
A |
x,y,z |
1_555 |
90 |
25 |
13758 |
776.5 |
-7.8 |
0.428 |
6 |
0 |
0 |
0.401 |
3 |
|
M |
75 |
21 |
3376 |
◊ |
E |
x,y,z |
1_555 |
95 |
26 |
13581 |
764.2 |
-7.2 |
0.523 |
6 |
0 |
0 |
0.401 |
4 |
|
L |
77 |
22 |
3272 |
◊ |
D |
x,y,z |
1_555 |
91 |
27 |
13448 |
760.6 |
-8.4 |
0.392 |
6 |
0 |
0 |
0.401 |
5 |
|
P |
78 |
21 |
3280 |
◊ |
H |
x,y,z |
1_555 |
87 |
25 |
13678 |
754.2 |
-7.1 |
0.524 |
4 |
0 |
0 |
0.401 |
6 |
|
K |
75 |
21 |
3174 |
◊ |
C |
x,y,z |
1_555 |
93 |
24 |
13713 |
746.2 |
-5.9 |
0.519 |
7 |
0 |
0 |
0.401 |
7 |
|
N |
78 |
21 |
3297 |
◊ |
F |
x,y,z |
1_555 |
89 |
24 |
13787 |
732.2 |
-5.7 |
0.550 |
7 |
0 |
0 |
0.401 |
8 |
|
O |
71 |
20 |
3112 |
◊ |
G |
x,y,z |
1_555 |
92 |
23 |
13729 |
731.6 |
-5.7 |
0.531 |
8 |
0 |
0 |
0.401 |
| Average: |
758.6 |
-6.7 |
0.500 |
7 |
0 |
0 |
0.401 |
| 2 |
9 |
|
C |
87 |
21 |
13713 |
◊ |
B |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
94 |
24 |
13716 |
750.5 |
-0.8 |
0.725 |
6 |
0 |
0 |
0.000 |
10 |
|
G |
91 |
20 |
13729 |
◊ |
A |
x,y,z |
1_555 |
88 |
24 |
13758 |
713.6 |
-2.4 |
0.596 |
5 |
0 |
0 |
0.000 |
11 |
|
D |
84 |
21 |
13448 |
◊ |
H |
-y-1,x-y-1,z |
2_445 |
82 |
18 |
13678 |
686.4 |
-3.2 |
0.550 |
3 |
0 |
0 |
0.000 |
12 |
|
E |
81 |
18 |
13581 |
◊ |
F |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
81 |
21 |
13787 |
685.6 |
-2.5 |
0.576 |
7 |
0 |
0 |
0.000 |
| Average: |
709.0 |
-2.2 |
0.612 |
5 |
0 |
0 |
0.000 |
| 3 |
13 |
|
G |
49 |
12 |
13729 |
◊ |
E |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
49 |
11 |
13581 |
420.0 |
1.3 |
0.764 |
6 |
2 |
0 |
0.000 |
14 |
|
F |
42 |
11 |
13787 |
◊ |
C |
x,y,z |
1_555 |
50 |
12 |
13713 |
390.5 |
1.6 |
0.766 |
2 |
2 |
0 |
0.000 |
15 |
|
H |
42 |
10 |
13678 |
◊ |
D |
x+2/3,y+1/3,z+1/3 |
4_555 |
40 |
10 |
13448 |
309.1 |
-0.5 |
0.626 |
2 |
0 |
0 |
0.000 |
16 |
|
B |
38 |
10 |
13716 |
◊ |
A |
x,y,z |
1_555 |
34 |
9 |
13758 |
278.3 |
1.5 |
0.788 |
0 |
0 |
0 |
0.000 |
| Average: |
349.5 |
1.0 |
0.736 |
3 |
1 |
0 |
0.000 |
| 4 |
17 |
|
D |
50 |
13 |
13448 |
◊ |
B |
-y-1,x-y-1,z |
2_445 |
48 |
13 |
13716 |
387.2 |
2.0 |
0.794 |
8 |
0 |
0 |
0.000 |
18 |
|
F |
45 |
12 |
13787 |
◊ |
C |
-y-1,x-y,z |
2_455 |
48 |
12 |
13713 |
363.1 |
-0.9 |
0.620 |
6 |
0 |
0 |
0.000 |
19 |
|
G |
46 |
12 |
13729 |
◊ |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
48 |
13 |
13758 |
358.2 |
-0.0 |
0.676 |
8 |
0 |
0 |
0.000 |
20 |
|
H |
45 |
13 |
13678 |
◊ |
E |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
45 |
12 |
13581 |
343.0 |
-1.1 |
0.612 |
8 |
0 |
0 |
0.000 |
| Average: |
362.9 |
-0.0 |
0.675 |
8 |
0 |
0 |
0.000 |
| 5 |
21 |
|
G |
44 |
15 |
13729 |
◊ |
N |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
32 |
11 |
3297 |
344.5 |
-4.4 |
0.359 |
2 |
0 |
0 |
0.000 |
22 |
|
J |
34 |
13 |
3307 |
◊ |
B |
-y-1,x-y-1,z |
2_445 |
39 |
13 |
13716 |
340.0 |
-4.1 |
0.383 |
2 |
0 |
0 |
0.000 |
23 |
|
P |
33 |
11 |
3280 |
◊ |
F |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
41 |
12 |
13787 |
323.4 |
-5.3 |
0.278 |
2 |
0 |
0 |
0.000 |
24 |
|
I |
32 |
10 |
3319 |
◊ |
D |
x,y,z |
1_555 |
39 |
12 |
13448 |
318.4 |
-4.8 |
0.307 |
2 |
0 |
0 |
0.000 |
25 |
|
O |
28 |
10 |
3112 |
◊ |
H |
x,y,z |
1_555 |
39 |
12 |
13678 |
311.8 |
-5.3 |
0.223 |
2 |
0 |
0 |
0.000 |
26 |
|
K |
29 |
10 |
3174 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
13758 |
309.1 |
-5.2 |
0.207 |
2 |
0 |
0 |
0.000 |
27 |
|
L |
33 |
9 |
3272 |
◊ |
C |
x,y,z |
1_555 |
40 |
13 |
13713 |
308.8 |
-4.8 |
0.331 |
2 |
0 |
0 |
0.000 |
28 |
|
E |
40 |
13 |
13581 |
◊ |
M |
-y,x-y,z |
2_555 |
31 |
10 |
3376 |
296.7 |
-4.2 |
0.392 |
2 |
0 |
0 |
0.000 |
| Average: |
319.1 |
-4.8 |
0.310 |
2 |
0 |
0 |
0.000 |
| 6 |
29 |
|
D |
26 |
10 |
13448 |
x |
C |
x,y,z |
1_555 |
30 |
11 |
13713 |
289.1 |
0.4 |
0.720 |
5 |
1 |
0 |
0.000 |
30 |
|
B |
29 |
11 |
13716 |
x |
B |
-y-1,x-y-1,z |
2_445 |
32 |
12 |
13716 |
277.4 |
0.5 |
0.714 |
6 |
1 |
0 |
0.000 |
31 |
|
D |
32 |
12 |
13448 |
x |
A |
x,y,z |
1_555 |
27 |
10 |
13758 |
275.0 |
0.5 |
0.713 |
4 |
1 |
0 |
0.000 |
32 |
|
H |
28 |
11 |
13678 |
x |
F |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
29 |
11 |
13787 |
272.9 |
1.2 |
0.787 |
6 |
2 |
0 |
0.000 |
33 |
|
C |
30 |
11 |
13713 |
x |
A |
x,y,z |
1_555 |
34 |
13 |
13758 |
266.2 |
1.1 |
0.762 |
5 |
1 |
0 |
0.000 |
34 |
|
H |
36 |
12 |
13678 |
x |
G |
x,y,z |
1_555 |
30 |
11 |
13729 |
263.5 |
0.1 |
0.700 |
5 |
2 |
0 |
0.000 |
35 |
|
G |
32 |
12 |
13729 |
x |
F |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
27 |
10 |
13787 |
258.4 |
0.4 |
0.700 |
5 |
2 |
0 |
0.000 |
36 |
|
E |
30 |
11 |
13581 |
x |
E |
-y,x-y,z |
2_555 |
28 |
10 |
13581 |
256.7 |
0.2 |
0.704 |
4 |
1 |
0 |
0.000 |
| Average: |
269.9 |
0.6 |
0.725 |
5 |
1 |
0 |
0.000 |
| 7 |
37 |
|
[SO4]C:1353 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
13713 |
111.0 |
-16.1 |
0.803 |
6 |
0 |
0 |
0.062 |
| 8 |
38 |
|
[SO4]E:1353 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
13581 |
108.4 |
-15.2 |
0.846 |
5 |
0 |
0 |
0.420 |
39 |
|
[SO4]D:1353 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
13448 |
104.0 |
-14.5 |
0.859 |
5 |
0 |
0 |
0.420 |
| Average: |
106.2 |
-14.8 |
0.852 |
5 |
0 |
0 |
0.420 |
| 9 |
40 |
|
[SO4]A:1353 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
13758 |
105.4 |
-14.5 |
0.815 |
4 |
0 |
0 |
0.420 |
| 10 |
41 |
|
[SO4]F:1353 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
13787 |
104.3 |
-14.1 |
0.802 |
6 |
0 |
0 |
0.059 |
| 11 |
42 |
|
[SO4]H:1353 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
13678 |
102.3 |
-14.0 |
0.832 |
4 |
0 |
0 |
0.058 |
| 12 |
43 |
|
[SO4]B:1353 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
13716 |
102.3 |
-14.1 |
0.838 |
4 |
0 |
0 |
0.599 |
| 13 |
44 |
|
[SO4]G:1353 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
13729 |
97.3 |
-13.0 |
0.838 |
4 |
0 |
0 |
0.043 |
| 14 |
45 |
|
[CL]F:1354 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
13787 |
76.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.311 |
46 |
|
[CL]C:1354 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
13713 |
74.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.311 |
47 |
|
[CL]H:1354 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
13678 |
74.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.311 |
48 |
|
[CL]A:1354 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13758 |
72.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.311 |
49 |
|
[CL]G:1354 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
13729 |
70.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.311 |
50 |
|
[CL]D:1354 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
13448 |
69.3 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.311 |
| Average: |
72.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.311 |
| 15 |
51 |
|
[CL]G:1355 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
15 |
5 |
13729 |
62.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| 16 |
52 |
|
O |
4 |
2 |
3112 |
◊ |
M |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
6 |
2 |
3376 |
42.7 |
0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
| 17 |
53 |
|
[CL]G:1355 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
13758 |
42.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
54 |
|
G |
3 |
1 |
13729 |
◊ |
M |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
3 |
1 |
3376 |
21.6 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
55 |
|
I |
3 |
2 |
3319 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
13716 |
19.5 |
0.6 |
0.813 |
0 |
0 |
0 |
0.000 |
56 |
|
N |
3 |
1 |
3297 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
13713 |
16.8 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
57 |
|
P |
2 |
1 |
3280 |
◊ |
D |
x+2/3,y+1/3,z+1/3 |
4_555 |
3 |
1 |
13448 |
9.3 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
| Average: |
16.8 |
0.2 |
0.692 |
0 |
0 |
0 |
0.000 |
| 19 |
58 |
|
N |
2 |
1 |
3297 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
3174 |
18.0 |
0.4 |
0.813 |
0 |
0 |
0 |
0.000 |
59 |
|
P |
2 |
1 |
3280 |
◊ |
L |
x+2/3,y+1/3,z+1/3 |
4_555 |
2 |
2 |
3272 |
13.0 |
-0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
60 |
|
J |
1 |
1 |
3307 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
3319 |
0.7 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
| Average: |
10.6 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
|