| ## |
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 |
161 |
43 |
11361 |
◊ |
B |
x,y,z-1 |
1_554 |
164 |
42 |
11535 |
1603.0 |
-29.3 |
0.002 |
10 |
0 |
0 |
0.424 |
2 |
|
D |
164 |
43 |
11391 |
◊ |
A |
x,y,z |
1_555 |
162 |
42 |
11612 |
1587.0 |
-31.4 |
0.001 |
8 |
0 |
0 |
0.424 |
| Average: |
1595.0 |
-30.3 |
0.001 |
9 |
0 |
0 |
0.424 |
| 2 |
3 |
|
A |
59 |
11 |
11612 |
x |
A |
x-1,y,z |
1_455 |
69 |
18 |
11612 |
542.2 |
-1.2 |
0.603 |
7 |
1 |
0 |
0.000 |
4 |
|
B |
64 |
15 |
11535 |
x |
B |
x-1,y,z |
1_455 |
56 |
10 |
11535 |
523.6 |
-1.6 |
0.588 |
8 |
1 |
0 |
0.000 |
5 |
|
C |
50 |
10 |
11361 |
x |
C |
x-1,y,z |
1_455 |
64 |
16 |
11361 |
503.3 |
-0.4 |
0.705 |
9 |
2 |
0 |
0.000 |
6 |
|
D |
65 |
16 |
11391 |
x |
D |
x-1,y,z |
1_455 |
52 |
11 |
11391 |
499.3 |
-0.4 |
0.687 |
8 |
1 |
0 |
0.000 |
| Average: |
517.1 |
-0.9 |
0.646 |
8 |
1 |
0 |
0.000 |
| 3 |
7 |
|
A |
35 |
10 |
11612 |
◊ |
B |
x,y,z-1 |
1_554 |
33 |
11 |
11535 |
329.8 |
-0.2 |
0.654 |
4 |
1 |
0 |
0.000 |
8 |
|
B |
32 |
9 |
11535 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
11612 |
327.2 |
-0.5 |
0.613 |
5 |
1 |
0 |
0.000 |
| Average: |
328.5 |
-0.3 |
0.634 |
5 |
1 |
0 |
0.000 |
| 4 |
9 |
|
D |
24 |
9 |
11391 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
11535 |
177.4 |
-1.9 |
0.389 |
1 |
1 |
0 |
0.000 |
10 |
|
C |
24 |
9 |
11361 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11612 |
163.1 |
-0.6 |
0.548 |
1 |
1 |
0 |
0.000 |
| Average: |
170.3 |
-1.2 |
0.468 |
1 |
1 |
0 |
0.000 |
| 5 |
11 |
|
A |
19 |
6 |
11612 |
◊ |
D |
x,y-1,z |
1_545 |
10 |
3 |
11391 |
126.0 |
0.2 |
0.553 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
10 |
4 |
11361 |
◊ |
B |
x,y-1,z-1 |
1_544 |
15 |
5 |
11535 |
122.9 |
0.5 |
0.711 |
0 |
1 |
0 |
0.000 |
| Average: |
124.4 |
0.3 |
0.632 |
0 |
1 |
0 |
0.000 |
| 6 |
13 |
|
[ACT]A:1223 |
4 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
11612 |
106.0 |
1.0 |
0.817 |
2 |
0 |
0 |
0.000 |
| 7 |
14 |
|
[ACT]D:1223 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
11391 |
103.3 |
0.9 |
0.827 |
2 |
0 |
0 |
0.000 |
| 8 |
15 |
|
[ACT]C:1223 |
4 |
1 |
180 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
11361 |
101.9 |
-0.3 |
0.671 |
2 |
0 |
0 |
0.015 |
| 9 |
16 |
|
[ACT]B:1223 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11535 |
100.4 |
-0.5 |
0.660 |
1 |
0 |
0 |
0.011 |
| 10 |
17 |
|
C |
12 |
7 |
11361 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
9 |
5 |
11391 |
79.1 |
0.4 |
0.695 |
1 |
0 |
0 |
0.000 |
18 |
|
C |
6 |
3 |
11361 |
◊ |
D |
x-1,y-1,z |
1_445 |
8 |
5 |
11391 |
74.5 |
1.0 |
0.817 |
1 |
0 |
0 |
0.000 |
| Average: |
76.8 |
0.7 |
0.756 |
1 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[CL]D:1221 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
11391 |
66.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.208 |
20 |
|
[CL]A:1221 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
11612 |
64.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.208 |
21 |
|
[CL]B:1221 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
11535 |
63.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.208 |
22 |
|
[CL]C:1221 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
11361 |
63.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.208 |
| Average: |
64.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.208 |
| 12 |
23 |
|
[CL]D:1222 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
11391 |
66.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.259 |
24 |
|
[CL]B:1222 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11535 |
66.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.259 |
25 |
|
[CL]A:1222 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
11612 |
65.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.259 |
26 |
|
[CL]C:1222 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
11361 |
65.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.259 |
| Average: |
66.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.259 |
| 13 |
27 |
|
C |
5 |
2 |
11361 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
6 |
3 |
11535 |
48.7 |
0.4 |
0.701 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
1 |
1 |
11612 |
◊ |
D |
x-1,y-1,z |
1_445 |
4 |
2 |
11391 |
18.4 |
0.5 |
0.830 |
0 |
0 |
0 |
0.000 |
| Average: |
33.6 |
0.5 |
0.765 |
0 |
0 |
0 |
0.000 |
| 14 |
29 |
|
[ACT]D:1223 |
2 |
1 |
181 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
11391 |
39.1 |
-0.5 |
0.492 |
0 |
0 |
0 |
0.000 |
| 15 |
30 |
|
A |
4 |
2 |
11612 |
◊ |
[ACT]A:1223 |
x-1,y,z |
1_455 |
2 |
1 |
180 |
33.4 |
-0.4 |
0.520 |
0 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[ACT]B:1223 |
3 |
1 |
181 |
f |
[CL]B:1221 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.035 |
32 |
|
[ACT]D:1223 |
4 |
1 |
181 |
f |
[CL]D:1221 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
22.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.035 |
| 17 |
33 |
|
[ACT]C:1223 |
4 |
1 |
180 |
f |
[CL]C:1221 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.035 |
34 |
|
[ACT]A:1223 |
4 |
1 |
180 |
f |
[CL]A:1221 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
23.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.035 |
| 18 |
35 |
|
C |
4 |
2 |
11361 |
◊ |
[ACT]C:1223 |
x-1,y,z |
1_455 |
2 |
1 |
180 |
20.5 |
0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
| 19 |
36 |
|
[CL]A:1222 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11391 |
19.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.058 |
37 |
|
C |
2 |
1 |
11361 |
◊ |
[CL]B:1222 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
19.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.058 |
38 |
|
[CL]C:1222 |
1 |
1 |
125 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
11535 |
18.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.058 |
39 |
|
[CL]D:1222 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11612 |
18.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
19.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.058 |
| 20 |
40 |
|
[ACT]B:1223 |
2 |
1 |
181 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
11535 |
17.1 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
| 21 |
41 |
|
C |
1 |
1 |
11361 |
◊ |
D |
x,y-1,z |
1_545 |
2 |
1 |
11391 |
14.6 |
0.7 |
0.901 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
2 |
1 |
11361 |
◊ |
D |
x,y-1,z-1 |
1_544 |
1 |
1 |
11391 |
13.5 |
0.6 |
0.890 |
0 |
0 |
0 |
0.000 |
| Average: |
14.0 |
0.7 |
0.896 |
0 |
0 |
0 |
0.000 |
| 22 |
43 |
|
C |
3 |
2 |
11361 |
◊ |
B |
x-1,y,z-1 |
1_454 |
4 |
4 |
11535 |
5.2 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
3 |
3 |
11612 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
11391 |
3.0 |
0.2 |
0.696 |
0 |
0 |
0 |
0.000 |
| Average: |
4.1 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
|