| ## |
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 |
980 |
223 |
36370 |
◊ |
D |
x,y,z |
1_555 |
958 |
221 |
33006 |
9688.5 |
-114.2 |
0.006 |
97 |
23 |
0 |
0.890 |
2 |
|
B |
963 |
217 |
35981 |
◊ |
A |
x,y,z |
1_555 |
953 |
222 |
32948 |
9578.5 |
-119.7 |
0.003 |
97 |
21 |
0 |
0.890 |
| Average: |
9633.5 |
-117.0 |
0.004 |
97 |
22 |
0 |
0.890 |
| 2 |
3 |
|
R |
132 |
16 |
7188 |
◊ |
B |
x,y,z |
1_555 |
121 |
36 |
35981 |
1069.8 |
-9.7 |
0.633 |
10 |
0 |
0 |
1.000 |
4 |
|
M |
132 |
18 |
7394 |
◊ |
E |
x,y,z |
1_555 |
116 |
36 |
36370 |
1035.6 |
-11.3 |
0.557 |
10 |
0 |
0 |
1.000 |
| Average: |
1052.7 |
-10.5 |
0.595 |
10 |
0 |
0 |
1.000 |
| 3 |
5 |
|
M |
93 |
22 |
7394 |
◊ |
K |
x,y,z |
1_555 |
95 |
21 |
4985 |
948.7 |
-14.7 |
0.560 |
53 |
0 |
0 |
1.000 |
6 |
|
R |
93 |
22 |
7188 |
◊ |
H |
x,y,z |
1_555 |
93 |
21 |
4985 |
934.9 |
-14.6 |
0.547 |
54 |
0 |
0 |
1.000 |
| Average: |
941.8 |
-14.6 |
0.554 |
54 |
0 |
0 |
1.000 |
| 4 |
7 |
|
C |
45 |
7 |
1030 |
◊ |
E |
x,y,z |
1_555 |
72 |
26 |
36370 |
552.3 |
-3.8 |
0.559 |
6 |
5 |
0 |
1.000 |
8 |
|
F |
42 |
7 |
1010 |
◊ |
B |
x,y,z |
1_555 |
74 |
27 |
35981 |
530.3 |
-3.1 |
0.611 |
6 |
6 |
0 |
1.000 |
| Average: |
541.3 |
-3.5 |
0.585 |
6 |
6 |
0 |
1.000 |
| 5 |
9 |
|
E |
49 |
15 |
36370 |
◊ |
D |
x-1,y,z |
1_455 |
57 |
13 |
33006 |
548.8 |
-5.8 |
0.290 |
3 |
1 |
0 |
0.000 |
10 |
|
A |
55 |
13 |
32948 |
◊ |
B |
x-1,y,z |
1_455 |
47 |
14 |
35981 |
503.6 |
-5.1 |
0.338 |
2 |
1 |
0 |
0.000 |
| Average: |
526.2 |
-5.5 |
0.314 |
3 |
1 |
0 |
0.000 |
| 6 |
11 |
|
M |
63 |
10 |
7394 |
◊ |
D |
x,y,z |
1_555 |
63 |
22 |
33006 |
513.2 |
-4.1 |
0.516 |
7 |
0 |
0 |
0.027 |
12 |
|
R |
64 |
11 |
7188 |
◊ |
A |
x,y,z |
1_555 |
59 |
21 |
32948 |
492.1 |
-2.9 |
0.547 |
6 |
0 |
0 |
0.027 |
| Average: |
502.6 |
-3.5 |
0.532 |
7 |
0 |
0 |
0.027 |
| 7 |
13 |
|
K |
60 |
9 |
4985 |
◊ |
D |
x,y,z |
1_555 |
49 |
18 |
33006 |
495.9 |
-2.0 |
0.856 |
5 |
0 |
0 |
0.016 |
14 |
|
H |
51 |
8 |
4985 |
◊ |
A |
x,y,z |
1_555 |
42 |
16 |
32948 |
431.2 |
-2.2 |
0.819 |
4 |
0 |
0 |
0.016 |
| Average: |
463.5 |
-2.1 |
0.838 |
5 |
0 |
0 |
0.016 |
| 8 |
15 |
|
B |
52 |
16 |
35981 |
◊ |
D |
-x+1,y-1/2,-z+3 |
2_648 |
55 |
18 |
33006 |
467.3 |
0.5 |
0.738 |
0 |
1 |
0 |
0.000 |
| 9 |
16 |
|
E |
55 |
18 |
36370 |
◊ |
B |
x-1,y,z |
1_455 |
52 |
18 |
35981 |
463.5 |
-4.1 |
0.489 |
4 |
0 |
0 |
0.000 |
| 10 |
17 |
|
H |
47 |
8 |
4985 |
◊ |
B |
x,y,z |
1_555 |
38 |
13 |
35981 |
379.0 |
-3.8 |
0.726 |
8 |
0 |
0 |
0.122 |
18 |
|
K |
49 |
9 |
4985 |
◊ |
E |
x,y,z |
1_555 |
40 |
13 |
36370 |
376.6 |
-2.4 |
0.779 |
7 |
0 |
0 |
0.122 |
| Average: |
377.8 |
-3.1 |
0.752 |
8 |
0 |
0 |
0.122 |
| 11 |
19 |
|
E |
34 |
13 |
36370 |
◊ |
B |
x,y,z |
1_555 |
39 |
12 |
35981 |
350.4 |
-5.6 |
0.245 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
R |
17 |
2 |
7188 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
4 |
33006 |
168.9 |
2.1 |
0.698 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
24 |
4 |
32948 |
◊ |
M |
x,y,z-1 |
1_554 |
16 |
2 |
7394 |
151.8 |
1.6 |
0.670 |
0 |
0 |
0 |
0.000 |
| Average: |
160.4 |
1.9 |
0.684 |
0 |
0 |
0 |
0.000 |
| 13 |
22 |
|
H |
20 |
2 |
4985 |
◊ |
D |
x,y,z-1 |
1_554 |
13 |
6 |
33006 |
139.5 |
-0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
12 |
5 |
32948 |
◊ |
K |
x,y,z-1 |
1_554 |
18 |
2 |
4985 |
129.0 |
0.4 |
0.755 |
0 |
0 |
0 |
0.000 |
| Average: |
134.3 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
| 14 |
24 |
|
E |
16 |
6 |
36370 |
◊ |
A |
-x,y-1/2,-z+3 |
2_548 |
16 |
8 |
32948 |
136.5 |
2.1 |
0.852 |
1 |
2 |
0 |
0.000 |
| 15 |
25 |
|
A |
9 |
3 |
32948 |
◊ |
D |
x,y,z-1 |
1_554 |
14 |
4 |
33006 |
132.0 |
-4.0 |
0.040 |
0 |
0 |
0 |
0.000 |
| 16 |
26 |
|
A |
14 |
7 |
32948 |
◊ |
D |
-x+1,y-1/2,-z+3 |
2_648 |
13 |
6 |
33006 |
120.0 |
0.4 |
0.684 |
2 |
0 |
0 |
0.000 |
| 17 |
27 |
|
B |
10 |
5 |
35981 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
33006 |
99.7 |
-2.2 |
0.231 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[SO4]E:601 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
16 |
5 |
36370 |
95.2 |
-13.7 |
0.756 |
3 |
0 |
0 |
0.674 |
| 19 |
29 |
|
E |
8 |
4 |
36370 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
32948 |
94.5 |
-2.0 |
0.200 |
0 |
0 |
0 |
0.000 |
| 20 |
30 |
|
D |
8 |
2 |
33006 |
◊ |
A |
-x,y-1/2,-z+3 |
2_548 |
12 |
4 |
32948 |
90.8 |
-0.2 |
0.494 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
B |
14 |
3 |
35981 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
2 |
33006 |
75.9 |
-2.2 |
0.146 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
1 |
1 |
32948 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
1 |
36370 |
10.5 |
-0.3 |
0.338 |
0 |
0 |
0 |
0.000 |
| Average: |
43.2 |
-1.2 |
0.242 |
0 |
0 |
0 |
0.000 |
| 22 |
33 |
|
[SO4]B:601 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
7 |
35981 |
72.8 |
-7.9 |
0.951 |
4 |
0 |
0 |
0.052 |
| 23 |
34 |
|
[SO4]B:601 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
32948 |
68.9 |
-9.1 |
0.808 |
4 |
0 |
0 |
0.100 |
| 24 |
35 |
|
[SO4]D:601 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
9 |
6 |
36370 |
67.0 |
-7.2 |
0.966 |
4 |
0 |
0 |
0.046 |
| 25 |
36 |
|
[SO4]D:601 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
33006 |
64.5 |
-8.9 |
0.771 |
3 |
0 |
0 |
0.100 |
| 26 |
37 |
|
E |
7 |
1 |
36370 |
◊ |
D |
-x,y-1/2,-z+3 |
2_548 |
8 |
3 |
33006 |
50.9 |
0.2 |
0.687 |
0 |
4 |
0 |
0.000 |
| 27 |
38 |
|
R |
7 |
4 |
7188 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
4 |
32948 |
43.0 |
-0.8 |
0.505 |
0 |
0 |
0 |
0.000 |
| 28 |
39 |
|
D |
3 |
1 |
33006 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
32948 |
30.4 |
-1.0 |
0.216 |
0 |
0 |
0 |
0.000 |
| 29 |
40 |
|
D |
4 |
2 |
33006 |
◊ |
E |
-x,y-1/2,-z+3 |
2_548 |
3 |
2 |
36370 |
29.1 |
0.8 |
0.797 |
1 |
1 |
0 |
0.000 |
| 30 |
41 |
|
E |
4 |
1 |
36370 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
3 |
1 |
35981 |
17.3 |
-0.3 |
0.503 |
0 |
0 |
0 |
0.000 |
| 31 |
42 |
|
B |
4 |
3 |
35981 |
◊ |
E |
-x+1,y-1/2,-z+3 |
2_648 |
2 |
2 |
36370 |
15.7 |
-0.2 |
0.465 |
0 |
0 |
0 |
0.000 |
| 32 |
43 |
|
E |
3 |
1 |
36370 |
◊ |
B |
-x,y-1/2,-z+3 |
2_548 |
2 |
1 |
35981 |
14.4 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
E |
4 |
3 |
36370 |
x |
E |
-x,y-1/2,-z+3 |
2_548 |
3 |
3 |
36370 |
12.9 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
| 34 |
45 |
|
F |
1 |
1 |
1010 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
32948 |
6.5 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
1 |
1 |
1030 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
33006 |
4.8 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
| Average: |
5.6 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
|