| ## |
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 |
|
C |
246 |
65 |
12985 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
241 |
66 |
13009 |
2379.7 |
-45.3 |
0.001 |
20 |
0 |
0 |
0.582 |
2 |
|
B |
242 |
68 |
13739 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
238 |
67 |
13739 |
2351.4 |
-45.2 |
0.000 |
24 |
0 |
0 |
0.582 |
| Average: |
2365.5 |
-45.3 |
0.001 |
22 |
0 |
0 |
0.582 |
| 2 |
3 |
|
B |
114 |
29 |
13739 |
◊ |
B |
y,x,-z+1 |
7_556 |
116 |
29 |
13739 |
1049.5 |
-1.5 |
0.793 |
16 |
6 |
0 |
0.000 |
| 3 |
4 |
|
C |
84 |
23 |
12985 |
◊ |
A |
x,y,z |
1_555 |
90 |
24 |
13009 |
817.0 |
-0.2 |
0.801 |
12 |
3 |
0 |
0.096 |
5 |
|
B |
86 |
24 |
13739 |
◊ |
A |
x,y,z |
1_555 |
84 |
23 |
13009 |
805.5 |
-0.9 |
0.766 |
10 |
1 |
0 |
0.096 |
6 |
|
C |
81 |
23 |
12985 |
◊ |
B |
x,y,z |
1_555 |
82 |
23 |
13739 |
784.6 |
-1.3 |
0.720 |
10 |
1 |
0 |
0.096 |
| Average: |
802.4 |
-0.8 |
0.762 |
11 |
2 |
0 |
0.096 |
| 4 |
7 |
|
C |
70 |
20 |
12985 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
68 |
20 |
12985 |
550.7 |
-2.3 |
0.655 |
4 |
0 |
0 |
0.033 |
8 |
|
B |
68 |
20 |
13739 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
68 |
20 |
13009 |
542.2 |
-2.1 |
0.694 |
4 |
0 |
0 |
0.033 |
| Average: |
546.5 |
-2.2 |
0.675 |
4 |
0 |
0 |
0.033 |
| 5 |
9 |
|
C |
49 |
13 |
12985 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
46 |
13 |
13009 |
429.5 |
1.9 |
0.828 |
10 |
8 |
0 |
0.000 |
| 6 |
10 |
|
[PLP]C:1413 |
15 |
1 |
384 |
cf |
C |
x,y,z |
1_555 |
37 |
18 |
12985 |
233.2 |
-0.5 |
0.608 |
10 |
0 |
0 |
0.087 |
11 |
|
[PLP]A:413 |
15 |
1 |
383 |
cf |
A |
x,y,z |
1_555 |
37 |
18 |
13009 |
231.7 |
0.8 |
0.659 |
9 |
0 |
0 |
0.087 |
12 |
|
[PLP]B:913 |
15 |
1 |
385 |
cf |
B |
x,y,z |
1_555 |
40 |
20 |
13739 |
231.5 |
1.0 |
0.656 |
10 |
0 |
0 |
0.087 |
| Average: |
232.1 |
0.5 |
0.641 |
10 |
0 |
0 |
0.087 |
| 7 |
13 |
|
[GBN]A:2414 |
11 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
29 |
16 |
13009 |
186.9 |
-0.7 |
0.662 |
4 |
0 |
0 |
0.053 |
14 |
|
[GBN]C:1414 |
11 |
1 |
333 |
f |
C |
x,y,z |
1_555 |
29 |
16 |
12985 |
185.5 |
-0.7 |
0.641 |
4 |
0 |
0 |
0.053 |
15 |
|
[GBN]B:914 |
11 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
28 |
15 |
13739 |
179.8 |
-0.9 |
0.606 |
4 |
0 |
0 |
0.053 |
| Average: |
184.1 |
-0.8 |
0.636 |
4 |
0 |
0 |
0.053 |
| 8 |
16 |
|
[MPD]A:1417 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
13009 |
151.6 |
-9.1 |
0.849 |
1 |
0 |
0 |
0.201 |
17 |
|
[MPD]C:1416 |
7 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
12985 |
150.2 |
-8.7 |
0.863 |
1 |
0 |
0 |
0.201 |
| Average: |
150.9 |
-8.9 |
0.856 |
1 |
0 |
0 |
0.201 |
| 9 |
18 |
|
[MPD]B:917 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
13739 |
148.9 |
-8.6 |
0.864 |
1 |
0 |
0 |
0.162 |
| 10 |
19 |
|
[MPD]B:915 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
13739 |
131.4 |
-8.4 |
0.704 |
0 |
0 |
0 |
0.151 |
| 11 |
20 |
|
[MPD]A:2416 |
6 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
13009 |
105.1 |
-6.1 |
0.754 |
1 |
0 |
0 |
0.071 |
| 12 |
21 |
|
C |
17 |
5 |
12985 |
◊ |
[MPD]A:2416 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
6 |
1 |
278 |
99.9 |
-5.4 |
0.858 |
1 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[MPD]C:1416 |
5 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13739 |
60.6 |
-2.8 |
0.000 |
1 |
0 |
0 |
0.032 |
23 |
|
[MPD]A:1417 |
5 |
1 |
280 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
12985 |
53.5 |
-2.2 |
0.000 |
1 |
0 |
0 |
0.032 |
| Average: |
57.1 |
-2.5 |
0.000 |
1 |
0 |
0 |
0.032 |
| 14 |
24 |
|
[GBN]C:1414 |
5 |
1 |
333 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
10 |
4 |
13009 |
57.5 |
-1.3 |
0.368 |
0 |
0 |
0 |
0.029 |
25 |
|
[GBN]A:2414 |
3 |
1 |
336 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
9 |
4 |
12985 |
56.2 |
-1.3 |
0.285 |
0 |
0 |
0 |
0.029 |
| Average: |
56.9 |
-1.3 |
0.326 |
0 |
0 |
0 |
0.029 |
| 15 |
26 |
|
[GBN]B:914 |
8 |
1 |
332 |
f |
[PLP]B:913 |
x,y,z |
1_555 |
10 |
1 |
385 |
57.0 |
1.0 |
0.664 |
0 |
0 |
0 |
0.000 |
27 |
|
[GBN]A:2414 |
8 |
1 |
336 |
f |
[PLP]A:413 |
x,y,z |
1_555 |
10 |
1 |
383 |
54.0 |
1.0 |
0.676 |
0 |
0 |
0 |
0.000 |
28 |
|
[GBN]C:1414 |
8 |
1 |
333 |
f |
[PLP]C:1413 |
x,y,z |
1_555 |
10 |
1 |
384 |
53.0 |
1.0 |
0.682 |
0 |
0 |
0 |
0.000 |
| Average: |
54.7 |
1.0 |
0.674 |
0 |
0 |
0 |
0.000 |
| 16 |
29 |
|
[MPD]B:917 |
6 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13009 |
56.4 |
-2.4 |
0.000 |
1 |
0 |
0 |
0.016 |
| 17 |
30 |
|
[GBN]B:914 |
5 |
1 |
332 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
8 |
4 |
13739 |
52.8 |
-1.3 |
0.348 |
0 |
0 |
0 |
0.023 |
| 18 |
31 |
|
[MPD]B:915 |
3 |
1 |
278 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
7 |
3 |
13739 |
48.2 |
-3.0 |
0.697 |
0 |
0 |
0 |
0.053 |
| 19 |
32 |
|
[MPD]B:915 |
2 |
1 |
278 |
f |
[GBN]B:914 |
x,y,z |
1_555 |
3 |
1 |
332 |
14.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 20 |
33 |
|
[MPD]B:915 |
1 |
1 |
278 |
◊ |
B |
y,x,-z+1 |
7_556 |
1 |
1 |
13739 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|