| ## |
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 |
111 |
33 |
14208 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
109 |
33 |
14121 |
1187.7 |
-17.3 |
0.011 |
10 |
3 |
0 |
0.258 |
2 |
|
C |
105 |
32 |
14096 |
◊ |
B |
x,y,z |
1_555 |
113 |
32 |
14246 |
1187.0 |
-17.8 |
0.008 |
9 |
2 |
0 |
0.258 |
| Average: |
1187.3 |
-17.5 |
0.010 |
10 |
3 |
0 |
0.258 |
| 2 |
3 |
|
B |
76 |
14 |
14246 |
◊ |
A |
x-1,y-1,z |
1_445 |
91 |
26 |
14208 |
790.4 |
-4.0 |
0.399 |
11 |
8 |
0 |
0.000 |
4 |
|
B |
89 |
25 |
14246 |
◊ |
A |
x,y,z |
1_555 |
79 |
15 |
14208 |
784.7 |
-4.2 |
0.401 |
12 |
9 |
0 |
0.000 |
| Average: |
787.5 |
-4.1 |
0.400 |
12 |
9 |
0 |
0.000 |
| 3 |
5 |
|
D |
54 |
17 |
14121 |
◊ |
C |
x,y,z |
1_555 |
58 |
21 |
14096 |
561.0 |
-3.5 |
0.308 |
4 |
0 |
0 |
0.000 |
6 |
|
D |
58 |
21 |
14121 |
◊ |
C |
x-1,y,z |
1_455 |
58 |
17 |
14096 |
558.6 |
-3.2 |
0.328 |
4 |
0 |
0 |
0.000 |
| Average: |
559.8 |
-3.4 |
0.318 |
4 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[NAD]D:343 |
43 |
1 |
812 |
f |
D |
x,y,z |
1_555 |
80 |
32 |
14121 |
537.9 |
-6.1 |
0.484 |
12 |
0 |
0 |
0.261 |
8 |
|
[NAD]B:343 |
44 |
1 |
808 |
f |
B |
x,y,z |
1_555 |
73 |
30 |
14246 |
535.4 |
-6.4 |
0.487 |
11 |
0 |
0 |
0.261 |
9 |
|
[NAD]C:343 |
42 |
1 |
811 |
f |
C |
x,y,z |
1_555 |
70 |
31 |
14096 |
532.5 |
-6.2 |
0.465 |
11 |
0 |
0 |
0.261 |
10 |
|
[NAD]A:343 |
43 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
75 |
32 |
14208 |
531.7 |
-5.4 |
0.531 |
13 |
0 |
0 |
0.261 |
| Average: |
534.4 |
-6.0 |
0.492 |
12 |
0 |
0 |
0.261 |
| 5 |
11 |
|
[UD6]C:344 |
36 |
1 |
743 |
f |
C |
x,y,z |
1_555 |
71 |
27 |
14096 |
525.2 |
-3.2 |
0.628 |
16 |
0 |
0 |
0.121 |
| 6 |
12 |
|
[UD6]D:344 |
38 |
1 |
739 |
f |
D |
x,y,z |
1_555 |
74 |
28 |
14121 |
523.4 |
-3.4 |
0.628 |
15 |
0 |
0 |
0.226 |
13 |
|
[UD6]B:344 |
37 |
1 |
749 |
f |
B |
x,y,z |
1_555 |
76 |
26 |
14246 |
518.9 |
-4.2 |
0.607 |
14 |
0 |
0 |
0.226 |
14 |
|
[UD6]A:344 |
38 |
1 |
739 |
f |
A |
x,y,z |
1_555 |
76 |
27 |
14208 |
514.3 |
-2.9 |
0.666 |
15 |
0 |
0 |
0.226 |
| Average: |
518.9 |
-3.5 |
0.634 |
15 |
0 |
0 |
0.226 |
| 7 |
15 |
|
C |
29 |
8 |
14096 |
◊ |
D |
x,y-1,z |
1_545 |
28 |
8 |
14121 |
273.1 |
-2.7 |
0.288 |
2 |
0 |
0 |
0.000 |
| 8 |
16 |
|
D |
11 |
3 |
14121 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
14246 |
104.8 |
0.6 |
0.673 |
2 |
2 |
0 |
0.000 |
17 |
|
A |
15 |
5 |
14208 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
10 |
4 |
14096 |
102.4 |
0.6 |
0.666 |
2 |
2 |
0 |
0.000 |
| Average: |
103.6 |
0.6 |
0.670 |
2 |
2 |
0 |
0.000 |
| 9 |
18 |
|
D |
12 |
5 |
14121 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
14208 |
97.9 |
-0.2 |
0.465 |
1 |
0 |
0 |
0.000 |
19 |
|
B |
8 |
3 |
14246 |
◊ |
C |
-y-1,x-y-1,z-1/3 |
2_444 |
12 |
5 |
14096 |
94.9 |
-0.1 |
0.498 |
1 |
0 |
0 |
0.000 |
| Average: |
96.4 |
-0.1 |
0.481 |
1 |
0 |
0 |
0.000 |
| 10 |
20 |
|
[SO4]A:346 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
14208 |
82.8 |
-9.8 |
0.894 |
3 |
0 |
0 |
0.000 |
| 11 |
21 |
|
B |
10 |
5 |
14246 |
◊ |
[SO4]A:345 |
x-1,y-1,z |
1_445 |
5 |
1 |
185 |
82.1 |
-10.3 |
0.783 |
3 |
0 |
0 |
0.000 |
| 12 |
22 |
|
[NA]A:348 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
14208 |
73.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.103 |
| 13 |
23 |
|
[SO4]A:345 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
14208 |
73.1 |
-10.5 |
0.700 |
3 |
0 |
0 |
0.136 |
| 14 |
24 |
|
[SO4]A:346 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14246 |
72.3 |
-10.3 |
0.749 |
5 |
0 |
0 |
0.146 |
| 15 |
25 |
|
[UD6]B:344 |
7 |
1 |
749 |
f |
[NAD]B:343 |
x,y,z |
1_555 |
10 |
1 |
808 |
68.4 |
-0.8 |
0.598 |
0 |
0 |
0 |
0.020 |
26 |
|
[UD6]D:344 |
7 |
1 |
739 |
f |
[NAD]D:343 |
x,y,z |
1_555 |
9 |
1 |
812 |
67.1 |
-0.7 |
0.587 |
0 |
0 |
0 |
0.020 |
27 |
|
[UD6]A:344 |
6 |
1 |
739 |
f |
[NAD]A:343 |
x,y,z |
1_555 |
10 |
1 |
817 |
67.0 |
-1.0 |
0.571 |
0 |
0 |
0 |
0.020 |
28 |
|
[UD6]C:344 |
6 |
1 |
743 |
f |
[NAD]C:343 |
x,y,z |
1_555 |
9 |
1 |
811 |
66.2 |
-0.9 |
0.578 |
0 |
0 |
0 |
0.020 |
| Average: |
67.2 |
-0.9 |
0.583 |
0 |
0 |
0 |
0.020 |
| 16 |
29 |
|
B |
8 |
3 |
14246 |
f |
[SO4]A:347 |
x,y-1,z |
1_545 |
5 |
1 |
185 |
48.9 |
-4.9 |
0.949 |
3 |
0 |
0 |
0.073 |
| 17 |
30 |
|
[SO4]A:347 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14208 |
47.7 |
-5.1 |
0.926 |
1 |
0 |
0 |
0.031 |
| 18 |
31 |
|
B |
4 |
2 |
14246 |
◊ |
C |
-y-1,x-y-2,z-1/3 |
2_434 |
4 |
1 |
14096 |
35.9 |
0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
4 |
1 |
14121 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14208 |
33.3 |
0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
| Average: |
34.6 |
0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
[NAD]D:343 |
3 |
1 |
812 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
14096 |
13.0 |
-0.1 |
0.479 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAD]C:343 |
2 |
1 |
811 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
14121 |
9.3 |
-0.1 |
0.463 |
0 |
0 |
0 |
0.000 |
| Average: |
11.2 |
-0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
| 20 |
35 |
|
C |
1 |
1 |
14096 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14208 |
3.5 |
0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
| 21 |
36 |
|
B |
1 |
1 |
14246 |
◊ |
[NAD]A:343 |
x-1,y-1,z |
1_445 |
1 |
1 |
817 |
0.3 |
0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
37 |
|
[NAD]B:343 |
1 |
1 |
808 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14208 |
0.2 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
| Average: |
0.2 |
0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
|