| ## |
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 |
|
L |
115 |
26 |
6274 |
◊ |
H |
x,y,z |
1_555 |
114 |
29 |
6322 |
950.8 |
-9.0 |
0.383 |
12 |
2 |
0 |
0.466 |
2 |
|
D |
114 |
26 |
6288 |
◊ |
C |
x,y,z |
1_555 |
114 |
29 |
6161 |
936.7 |
-7.7 |
0.483 |
14 |
1 |
0 |
0.466 |
3 |
|
F |
113 |
26 |
6219 |
◊ |
E |
x,y,z |
1_555 |
110 |
29 |
6056 |
919.7 |
-9.2 |
0.410 |
12 |
0 |
0 |
0.466 |
4 |
|
B |
112 |
25 |
6064 |
◊ |
A |
x,y,z |
1_555 |
109 |
27 |
6416 |
897.1 |
-8.0 |
0.453 |
11 |
0 |
0 |
0.466 |
| Average: |
926.1 |
-8.5 |
0.432 |
12 |
1 |
0 |
0.466 |
| 2 |
5 |
|
H |
63 |
21 |
6322 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
68 |
22 |
6416 |
646.4 |
-2.8 |
0.772 |
7 |
0 |
0 |
0.000 |
6 |
|
E |
58 |
21 |
6056 |
◊ |
C |
x,y,z |
1_555 |
69 |
21 |
6161 |
602.7 |
-3.5 |
0.740 |
7 |
0 |
0 |
0.000 |
| Average: |
624.5 |
-3.1 |
0.756 |
7 |
0 |
0 |
0.000 |
| 3 |
7 |
|
D |
47 |
14 |
6288 |
◊ |
F |
x-1/2,-y-1/2,-z+1 |
4_446 |
49 |
17 |
6219 |
510.0 |
-2.9 |
0.390 |
4 |
2 |
0 |
0.000 |
8 |
|
L |
49 |
12 |
6274 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
6064 |
488.4 |
-3.2 |
0.356 |
4 |
2 |
0 |
0.000 |
| Average: |
499.2 |
-3.1 |
0.373 |
4 |
2 |
0 |
0.000 |
| 4 |
9 |
|
D |
26 |
9 |
6288 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
6064 |
270.1 |
-0.8 |
0.490 |
4 |
0 |
0 |
0.000 |
10 |
|
L |
33 |
9 |
6274 |
◊ |
F |
x-1,y,z |
1_455 |
25 |
10 |
6219 |
269.6 |
-0.9 |
0.467 |
5 |
0 |
0 |
0.000 |
11 |
|
D |
31 |
9 |
6288 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
9 |
6274 |
255.4 |
-1.2 |
0.418 |
4 |
0 |
0 |
0.000 |
12 |
|
B |
23 |
8 |
6064 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
30 |
8 |
6219 |
253.6 |
-1.6 |
0.359 |
3 |
0 |
0 |
0.000 |
| Average: |
262.2 |
-1.1 |
0.434 |
4 |
0 |
0 |
0.000 |
| 5 |
13 |
|
A |
28 |
10 |
6416 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
9 |
6056 |
258.5 |
-2.4 |
0.483 |
2 |
0 |
0 |
0.000 |
14 |
|
C |
23 |
8 |
6161 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
28 |
9 |
6322 |
217.2 |
-2.7 |
0.443 |
1 |
0 |
0 |
0.000 |
15 |
|
H |
18 |
6 |
6322 |
◊ |
E |
x-1,y,z |
1_455 |
26 |
8 |
6056 |
194.1 |
-2.5 |
0.397 |
1 |
0 |
0 |
0.000 |
16 |
|
C |
27 |
8 |
6161 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
6416 |
188.5 |
-2.4 |
0.413 |
1 |
0 |
0 |
0.000 |
| Average: |
214.6 |
-2.5 |
0.434 |
1 |
0 |
0 |
0.000 |
| 6 |
17 |
|
D |
24 |
8 |
6288 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
9 |
6322 |
248.3 |
-2.4 |
0.352 |
0 |
0 |
0 |
0.000 |
18 |
|
B |
28 |
10 |
6064 |
◊ |
C |
x,y,z |
1_555 |
28 |
8 |
6161 |
240.8 |
-2.9 |
0.327 |
0 |
0 |
0 |
0.000 |
19 |
|
L |
20 |
7 |
6274 |
◊ |
E |
x-1,y,z |
1_455 |
32 |
8 |
6056 |
238.5 |
-2.2 |
0.335 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
29 |
9 |
6416 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
7 |
6219 |
217.1 |
-2.3 |
0.314 |
0 |
0 |
0 |
0.000 |
| Average: |
236.2 |
-2.5 |
0.332 |
0 |
0 |
0 |
0.000 |
| 7 |
21 |
|
[M6P]H:201 |
13 |
1 |
379 |
◊ |
H |
x,y,z |
1_555 |
24 |
11 |
6322 |
150.2 |
1.3 |
0.847 |
3 |
0 |
0 |
0.002 |
22 |
|
[M6P]E:201 |
14 |
1 |
378 |
◊ |
E |
x,y,z |
1_555 |
23 |
10 |
6056 |
145.4 |
1.6 |
0.848 |
3 |
0 |
0 |
0.002 |
23 |
|
[M6P]C:201 |
14 |
1 |
372 |
◊ |
C |
x,y,z |
1_555 |
24 |
11 |
6161 |
140.8 |
1.5 |
0.843 |
3 |
0 |
0 |
0.002 |
| Average: |
145.5 |
1.5 |
0.846 |
3 |
0 |
0 |
0.002 |
| 8 |
24 |
|
[M6P]A:201 |
13 |
1 |
376 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
6416 |
147.4 |
1.6 |
0.852 |
3 |
0 |
0 |
0.000 |
| 9 |
25 |
|
L |
10 |
2 |
6274 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
13 |
7 |
6416 |
114.9 |
0.0 |
0.693 |
2 |
0 |
0 |
0.000 |
26 |
|
F |
9 |
2 |
6219 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
6161 |
91.7 |
-0.0 |
0.681 |
1 |
0 |
0 |
0.000 |
| Average: |
103.3 |
-0.0 |
0.687 |
2 |
0 |
0 |
0.000 |
| 10 |
27 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
6064 |
91.2 |
-12.4 |
0.805 |
3 |
0 |
0 |
0.443 |
| 11 |
28 |
|
[SO4]D:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
6288 |
90.7 |
-12.1 |
0.814 |
3 |
0 |
0 |
0.318 |
| 12 |
29 |
|
[SO4]F:201 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
14 |
3 |
6219 |
88.8 |
-11.5 |
0.805 |
3 |
0 |
0 |
0.308 |
| 13 |
30 |
|
[M6P]E:201 |
8 |
1 |
378 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
6219 |
88.2 |
-0.9 |
0.560 |
4 |
0 |
0 |
0.069 |
31 |
|
[M6P]C:201 |
8 |
1 |
372 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
6288 |
86.8 |
-0.7 |
0.581 |
3 |
0 |
0 |
0.069 |
32 |
|
[M6P]H:201 |
8 |
1 |
379 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
6274 |
82.0 |
-0.4 |
0.651 |
4 |
0 |
0 |
0.069 |
| Average: |
85.7 |
-0.7 |
0.597 |
4 |
0 |
0 |
0.069 |
| 14 |
33 |
|
[SO4]L:201 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
12 |
3 |
6274 |
87.2 |
-11.6 |
0.808 |
3 |
0 |
0 |
0.412 |
| 15 |
34 |
|
[M6P]A:201 |
8 |
1 |
376 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6064 |
84.4 |
-1.0 |
0.562 |
6 |
0 |
0 |
0.119 |
| 16 |
35 |
|
[SO4]D:202 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
6288 |
63.2 |
-7.1 |
0.930 |
1 |
0 |
0 |
0.178 |
| 17 |
36 |
|
[SO4]F:202 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
6219 |
58.8 |
-6.8 |
0.933 |
2 |
0 |
0 |
0.185 |
| 18 |
37 |
|
D |
4 |
2 |
6288 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
6056 |
33.5 |
-0.5 |
0.487 |
0 |
0 |
0 |
0.000 |
38 |
|
H |
6 |
3 |
6322 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
6064 |
12.6 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
-0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
| 19 |
39 |
|
L |
3 |
2 |
6274 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
6056 |
21.3 |
0.6 |
0.603 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
2 |
2 |
6064 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
6161 |
5.1 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
41 |
|
D |
1 |
1 |
6288 |
◊ |
H |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
6322 |
2.8 |
0.1 |
0.733 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
2 |
2 |
6416 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
2 |
6219 |
2.3 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
| Average: |
7.8 |
0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
| 20 |
43 |
|
B |
2 |
1 |
6064 |
◊ |
[SO4]F:201 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
187 |
20.3 |
-2.3 |
0.868 |
1 |
0 |
0 |
0.000 |
| 21 |
44 |
|
[SO4]D:201 |
1 |
1 |
185 |
◊ |
L |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
6274 |
18.2 |
-2.0 |
0.835 |
1 |
0 |
0 |
0.000 |
| 22 |
45 |
|
[SO4]F:202 |
3 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
6056 |
17.3 |
-1.8 |
0.886 |
0 |
0 |
0 |
0.043 |
| 23 |
46 |
|
[SO4]L:201 |
3 |
1 |
186 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
6219 |
17.0 |
-1.7 |
0.876 |
1 |
0 |
0 |
0.000 |
| 24 |
47 |
|
[SO4]D:202 |
1 |
1 |
186 |
f |
[M6P]C:201 |
x,y,z |
1_555 |
3 |
1 |
372 |
15.3 |
-2.5 |
0.624 |
0 |
0 |
0 |
0.058 |
| 25 |
48 |
|
[SO4]D:202 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6161 |
15.3 |
-1.6 |
0.918 |
0 |
0 |
0 |
0.037 |
| 26 |
49 |
|
[SO4]B:201 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6288 |
13.8 |
-1.4 |
0.906 |
0 |
0 |
0 |
0.000 |
| 27 |
50 |
|
[SO4]L:201 |
2 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
6322 |
11.5 |
-1.6 |
0.688 |
0 |
0 |
0 |
0.051 |
| 28 |
51 |
|
[SO4]F:202 |
4 |
1 |
186 |
f |
[M6P]E:201 |
x,y,z |
1_555 |
3 |
1 |
378 |
11.4 |
-1.6 |
0.706 |
0 |
0 |
0 |
0.039 |
| 29 |
52 |
|
[SO4]D:201 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6161 |
9.5 |
-1.3 |
0.626 |
0 |
0 |
0 |
0.030 |
| 30 |
53 |
|
[SO4]B:201 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6416 |
7.6 |
-1.0 |
0.721 |
0 |
0 |
0 |
0.031 |
| 31 |
54 |
|
D |
2 |
2 |
6288 |
◊ |
[M6P]H:201 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
379 |
7.4 |
-0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
| 32 |
55 |
|
[SO4]D:202 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
6056 |
6.2 |
-0.7 |
0.796 |
0 |
0 |
0 |
0.000 |
| 33 |
56 |
|
[M6P]A:201 |
1 |
1 |
376 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
6219 |
5.8 |
0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
| 34 |
57 |
|
L |
2 |
1 |
6274 |
◊ |
[M6P]E:201 |
x-1,y,z |
1_455 |
1 |
1 |
378 |
5.7 |
-0.2 |
0.471 |
0 |
0 |
0 |
0.000 |
58 |
|
[M6P]C:201 |
1 |
1 |
372 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6064 |
3.2 |
-0.1 |
0.450 |
0 |
0 |
0 |
0.000 |
| Average: |
4.4 |
-0.2 |
0.461 |
0 |
0 |
0 |
0.000 |
| 35 |
59 |
|
[SO4]D:201 |
1 |
1 |
185 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
6322 |
5.6 |
-0.7 |
0.644 |
0 |
0 |
0 |
0.000 |
| 36 |
60 |
|
[SO4]F:201 |
2 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
6056 |
5.1 |
-0.7 |
0.694 |
0 |
0 |
0 |
0.017 |
| 37 |
61 |
|
[SO4]F:202 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6161 |
3.6 |
-0.5 |
0.782 |
0 |
0 |
0 |
0.000 |
|