| ## |
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 |
|
B |
309 |
81 |
22788 |
◊ |
A |
x,y,z |
1_555 |
305 |
85 |
30767 |
2890.4 |
-30.7 |
0.062 |
23 |
1 |
0 |
1.000 |
2 |
|
F |
295 |
81 |
23111 |
◊ |
E |
x,y,z |
1_555 |
302 |
87 |
30931 |
2874.6 |
-29.7 |
0.074 |
23 |
1 |
0 |
1.000 |
| Average: |
2882.5 |
-30.2 |
0.068 |
23 |
1 |
0 |
1.000 |
| 2 |
3 |
|
C |
149 |
18 |
5495 |
◊ |
A |
x,y,z |
1_555 |
169 |
62 |
30767 |
1357.8 |
0.5 |
0.810 |
13 |
0 |
0 |
0.100 |
4 |
|
G |
149 |
18 |
5516 |
◊ |
E |
x,y,z |
1_555 |
156 |
59 |
30931 |
1296.7 |
0.9 |
0.772 |
12 |
0 |
0 |
0.100 |
| Average: |
1327.2 |
0.7 |
0.791 |
13 |
0 |
0 |
0.100 |
| 3 |
5 |
|
H |
98 |
19 |
4602 |
◊ |
G |
x,y,z |
1_555 |
93 |
21 |
5516 |
914.8 |
-10.0 |
0.701 |
54 |
0 |
0 |
1.000 |
6 |
|
D |
100 |
19 |
4589 |
◊ |
C |
x,y,z |
1_555 |
92 |
21 |
5495 |
908.6 |
-9.7 |
0.711 |
55 |
0 |
0 |
1.000 |
| Average: |
911.7 |
-9.8 |
0.706 |
55 |
0 |
0 |
1.000 |
| 4 |
7 |
|
D |
99 |
14 |
4589 |
◊ |
A |
x,y,z |
1_555 |
115 |
36 |
30767 |
904.7 |
-13.9 |
0.460 |
13 |
0 |
0 |
0.372 |
8 |
|
H |
99 |
14 |
4602 |
◊ |
E |
x,y,z |
1_555 |
106 |
32 |
30931 |
882.2 |
-13.6 |
0.455 |
10 |
0 |
0 |
0.372 |
| Average: |
893.4 |
-13.7 |
0.458 |
12 |
0 |
0 |
0.372 |
| 5 |
9 |
|
A |
48 |
12 |
30767 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
48 |
15 |
22788 |
446.7 |
-4.0 |
0.353 |
5 |
0 |
0 |
0.000 |
| 6 |
10 |
|
E |
49 |
12 |
30931 |
◊ |
A |
x,y,z |
1_555 |
50 |
12 |
30767 |
428.2 |
-4.5 |
0.311 |
4 |
0 |
0 |
0.000 |
| 7 |
11 |
|
F |
33 |
10 |
23111 |
◊ |
A |
x-1,y-1,z |
1_445 |
43 |
12 |
30767 |
333.4 |
0.8 |
0.739 |
5 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[MRG]H:817 |
24 |
1 |
555 |
cf |
H |
x,y,z |
1_555 |
31 |
2 |
4602 |
261.2 |
4.4 |
0.787 |
1 |
0 |
0 |
0.000 |
13 |
|
[MRG]D:817 |
23 |
1 |
554 |
cf |
D |
x,y,z |
1_555 |
28 |
2 |
4589 |
259.6 |
4.6 |
0.793 |
1 |
0 |
0 |
0.000 |
| Average: |
260.4 |
4.5 |
0.790 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[ATM]D:823 |
21 |
1 |
477 |
◊ |
A |
x,y,z |
1_555 |
36 |
14 |
30767 |
252.0 |
4.6 |
0.599 |
0 |
0 |
0 |
0.000 |
15 |
|
[ATM]H:823 |
21 |
1 |
475 |
◊ |
E |
x,y,z |
1_555 |
34 |
12 |
30931 |
241.9 |
4.3 |
0.598 |
0 |
0 |
0 |
0.000 |
| Average: |
246.9 |
4.4 |
0.598 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
A |
27 |
7 |
30767 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
7 |
22788 |
213.9 |
-1.4 |
0.488 |
1 |
0 |
0 |
0.000 |
| 11 |
17 |
|
E |
21 |
8 |
30931 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
7 |
30767 |
192.3 |
-1.0 |
0.473 |
1 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[ATM]H:823 |
16 |
1 |
475 |
cf |
H |
x,y,z |
1_555 |
12 |
1 |
4602 |
114.6 |
3.4 |
0.534 |
0 |
0 |
0 |
0.000 |
19 |
|
[ATM]D:823 |
16 |
1 |
477 |
cf |
D |
x,y,z |
1_555 |
12 |
1 |
4589 |
110.2 |
3.3 |
0.529 |
0 |
0 |
0 |
0.000 |
| Average: |
112.4 |
3.4 |
0.532 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[MRG]H:817 |
8 |
1 |
555 |
◊ |
G |
x,y,z |
1_555 |
16 |
4 |
5516 |
101.2 |
-0.3 |
0.527 |
5 |
0 |
0 |
0.088 |
21 |
|
[MRG]D:817 |
8 |
1 |
554 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
5495 |
100.4 |
-0.2 |
0.537 |
5 |
0 |
0 |
0.088 |
| Average: |
100.8 |
-0.3 |
0.532 |
5 |
0 |
0 |
0.088 |
| 14 |
22 |
|
[MRG]D:817 |
7 |
1 |
554 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
30767 |
98.6 |
-2.8 |
0.142 |
1 |
0 |
0 |
0.062 |
23 |
|
[MRG]H:817 |
8 |
1 |
555 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
30931 |
96.4 |
-2.5 |
0.166 |
1 |
0 |
0 |
0.062 |
| Average: |
97.5 |
-2.7 |
0.154 |
1 |
0 |
0 |
0.062 |
| 15 |
24 |
|
D |
12 |
3 |
4589 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
22788 |
92.9 |
-1.4 |
0.561 |
1 |
0 |
0 |
0.034 |
25 |
|
H |
11 |
3 |
4602 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
23111 |
69.7 |
-0.7 |
0.627 |
1 |
0 |
0 |
0.034 |
| Average: |
81.3 |
-1.0 |
0.594 |
1 |
0 |
0 |
0.034 |
| 16 |
26 |
|
C |
12 |
5 |
5495 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
22788 |
84.1 |
-1.4 |
0.505 |
2 |
0 |
0 |
0.024 |
27 |
|
G |
9 |
4 |
5516 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
23111 |
65.8 |
-1.4 |
0.466 |
2 |
0 |
0 |
0.024 |
| Average: |
74.9 |
-1.4 |
0.486 |
2 |
0 |
0 |
0.024 |
| 17 |
28 |
|
[ATM]D:823 |
5 |
1 |
477 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
5495 |
62.1 |
0.3 |
0.436 |
1 |
0 |
0 |
0.004 |
29 |
|
[ATM]H:823 |
5 |
1 |
475 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
5516 |
59.8 |
0.4 |
0.459 |
1 |
0 |
0 |
0.004 |
| Average: |
61.0 |
0.4 |
0.448 |
1 |
0 |
0 |
0.004 |
| 18 |
30 |
|
E |
5 |
2 |
30931 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
2 |
30767 |
58.7 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
C |
8 |
3 |
5495 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
22788 |
29.2 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
F |
1 |
1 |
23111 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
5495 |
21.4 |
-0.4 |
0.186 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
F |
4 |
2 |
23111 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
22788 |
15.5 |
0.4 |
0.784 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
F |
1 |
1 |
23111 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
30767 |
4.5 |
0.2 |
0.848 |
0 |
0 |
0 |
0.000 |
|