| ## |
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 |
80 |
28 |
31716 |
◊ |
C |
x,y,z-1 |
1_554 |
102 |
35 |
31321 |
765.1 |
-2.9 |
0.551 |
11 |
2 |
0 |
0.000 |
| 2 |
2 |
|
D |
90 |
25 |
31482 |
◊ |
A |
x,y,z |
1_555 |
81 |
27 |
31716 |
720.9 |
-7.4 |
0.249 |
7 |
3 |
0 |
0.144 |
3 |
|
B |
76 |
25 |
31213 |
◊ |
A |
x,y,z |
1_555 |
86 |
29 |
31716 |
678.6 |
-7.6 |
0.222 |
6 |
4 |
0 |
0.144 |
4 |
|
D |
69 |
25 |
31482 |
◊ |
C |
x,y,z |
1_555 |
84 |
26 |
31321 |
620.7 |
-5.4 |
0.315 |
6 |
3 |
0 |
0.144 |
| Average: |
673.4 |
-6.8 |
0.262 |
6 |
3 |
0 |
0.144 |
| 3 |
5 |
|
E |
56 |
9 |
1187 |
◊ |
A |
x,y,z |
1_555 |
96 |
31 |
31716 |
707.2 |
-5.9 |
0.572 |
22 |
2 |
0 |
0.429 |
6 |
|
H |
52 |
9 |
1154 |
◊ |
D |
x,y,z |
1_555 |
96 |
31 |
31482 |
693.9 |
-5.9 |
0.585 |
21 |
2 |
0 |
0.429 |
7 |
|
F |
57 |
9 |
1194 |
◊ |
B |
x,y,z |
1_555 |
91 |
28 |
31213 |
688.8 |
-5.4 |
0.643 |
21 |
2 |
0 |
0.429 |
| Average: |
696.6 |
-5.7 |
0.600 |
21 |
2 |
0 |
0.429 |
| 4 |
8 |
|
G |
53 |
8 |
1076 |
◊ |
C |
x,y,z |
1_555 |
96 |
32 |
31321 |
683.6 |
-6.0 |
0.592 |
22 |
2 |
0 |
0.437 |
| 5 |
9 |
|
C |
74 |
24 |
31321 |
◊ |
B |
x,y,z |
1_555 |
79 |
23 |
31213 |
640.6 |
-5.3 |
0.358 |
10 |
3 |
0 |
0.049 |
| 6 |
10 |
|
[MAL]D:900 |
23 |
1 |
459 |
f |
D |
x,y,z |
1_555 |
54 |
19 |
31482 |
330.2 |
0.7 |
0.454 |
7 |
0 |
0 |
0.066 |
| 7 |
11 |
|
[MAL]B:900 |
23 |
1 |
455 |
f |
B |
x,y,z |
1_555 |
50 |
19 |
31213 |
323.5 |
0.9 |
0.463 |
8 |
0 |
0 |
0.090 |
12 |
|
[MAL]C:900 |
23 |
1 |
454 |
f |
C |
x,y,z |
1_555 |
52 |
20 |
31321 |
318.9 |
1.1 |
0.459 |
8 |
0 |
0 |
0.090 |
13 |
|
[MAL]A:900 |
23 |
1 |
456 |
f |
A |
x,y,z |
1_555 |
54 |
20 |
31716 |
314.9 |
0.6 |
0.440 |
9 |
0 |
0 |
0.090 |
| Average: |
319.1 |
0.8 |
0.454 |
8 |
0 |
0 |
0.090 |
| 8 |
14 |
|
A |
39 |
18 |
31716 |
◊ |
B |
-x,y-1/2,-z-2 |
2_543 |
28 |
7 |
31213 |
311.4 |
2.0 |
0.840 |
4 |
1 |
0 |
0.000 |
| 9 |
15 |
|
B |
33 |
11 |
31213 |
◊ |
D |
-x,y-1/2,-z-2 |
2_543 |
30 |
10 |
31482 |
251.9 |
-0.3 |
0.654 |
5 |
3 |
0 |
0.000 |
| 10 |
16 |
|
B |
33 |
11 |
31213 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
8 |
31716 |
217.8 |
2.3 |
0.691 |
3 |
2 |
0 |
0.000 |
17 |
|
C |
13 |
5 |
31321 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
6 |
31482 |
123.8 |
1.2 |
0.612 |
1 |
2 |
0 |
0.000 |
| Average: |
170.8 |
1.7 |
0.652 |
2 |
2 |
0 |
0.000 |
| 11 |
18 |
|
D |
27 |
11 |
31482 |
◊ |
A |
-x,y-1/2,-z-2 |
2_543 |
28 |
8 |
31716 |
214.1 |
-1.7 |
0.445 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
D |
27 |
8 |
31482 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
24 |
7 |
31321 |
186.8 |
-0.1 |
0.607 |
1 |
1 |
0 |
0.000 |
| 13 |
20 |
|
C |
19 |
5 |
31321 |
x |
C |
-x,y-1/2,-z-1 |
2_544 |
24 |
7 |
31321 |
177.0 |
1.5 |
0.821 |
2 |
2 |
0 |
0.000 |
| 14 |
21 |
|
B |
19 |
6 |
31213 |
◊ |
C |
x-1,y,z-1 |
1_454 |
18 |
4 |
31321 |
136.2 |
0.4 |
0.710 |
0 |
4 |
0 |
0.000 |
| 15 |
22 |
|
B |
12 |
6 |
31213 |
◊ |
D |
x-1,y,z-1 |
1_454 |
11 |
6 |
31482 |
118.4 |
3.6 |
0.967 |
0 |
1 |
0 |
0.000 |
| 16 |
23 |
|
A |
7 |
2 |
31716 |
◊ |
G |
x,y,z-1 |
1_554 |
10 |
2 |
1076 |
84.6 |
-2.4 |
0.115 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
B |
7 |
3 |
31213 |
◊ |
A |
-x,y-1/2,-z-2 |
2_543 |
8 |
4 |
31716 |
56.2 |
1.7 |
0.901 |
1 |
1 |
0 |
0.000 |
| 18 |
25 |
|
C |
8 |
6 |
31321 |
◊ |
A |
-x,y-1/2,-z-2 |
2_543 |
9 |
7 |
31716 |
46.6 |
1.4 |
0.860 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
A |
5 |
2 |
31716 |
◊ |
D |
-x+1,y-1/2,-z-2 |
2_643 |
4 |
3 |
31482 |
34.6 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[ZN]B:910 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
31213 |
34.6 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.400 |
28 |
|
[ZN]D:910 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
31482 |
34.3 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.400 |
29 |
|
[ZN]C:910 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
31321 |
34.2 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.400 |
30 |
|
[ZN]A:910 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
31716 |
34.0 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.400 |
| Average: |
34.3 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.400 |
| 21 |
31 |
|
[ZN]A:910 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
6 |
3 |
31213 |
34.3 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.520 |
32 |
|
[ZN]B:910 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
31321 |
34.2 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.520 |
33 |
|
[ZN]D:910 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
31716 |
34.2 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.520 |
34 |
|
[ZN]C:910 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
31482 |
34.1 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.520 |
| Average: |
34.2 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.520 |
| 22 |
35 |
|
C |
6 |
1 |
31321 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
5 |
3 |
31213 |
31.6 |
0.6 |
0.795 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
B |
4 |
2 |
31213 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
31482 |
30.1 |
-0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
D |
3 |
1 |
31482 |
x |
D |
-x+1,y-1/2,-z-2 |
2_643 |
2 |
1 |
31482 |
20.9 |
-0.2 |
0.370 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
B |
4 |
2 |
31213 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
2 |
31321 |
16.9 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
E |
1 |
1 |
1187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
31213 |
14.3 |
-0.0 |
0.513 |
0 |
0 |
0 |
0.000 |
|