| ## |
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 |
|
D |
187 |
52 |
12420 |
◊ |
C |
x,y,z |
1_555 |
185 |
53 |
12496 |
1794.8 |
-22.5 |
0.063 |
25 |
10 |
0 |
0.517 |
2 |
|
B |
186 |
52 |
12506 |
◊ |
A |
x,y,z |
1_555 |
184 |
52 |
12534 |
1794.6 |
-22.3 |
0.061 |
25 |
10 |
0 |
0.517 |
| Average: |
1794.7 |
-22.4 |
0.062 |
25 |
10 |
0 |
0.517 |
| 2 |
3 |
|
A |
88 |
24 |
12534 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
86 |
24 |
12506 |
805.3 |
-6.0 |
0.350 |
6 |
6 |
0 |
0.018 |
4 |
|
C |
85 |
24 |
12496 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
86 |
24 |
12420 |
786.1 |
-5.5 |
0.347 |
6 |
6 |
0 |
0.018 |
| Average: |
795.7 |
-5.8 |
0.348 |
6 |
6 |
0 |
0.018 |
| 3 |
5 |
|
A |
33 |
9 |
12534 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
35 |
10 |
12496 |
302.9 |
-1.6 |
0.514 |
7 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
20 |
8 |
12506 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
10 |
12420 |
219.2 |
-0.5 |
0.583 |
1 |
1 |
0 |
0.000 |
| 5 |
7 |
|
[FLC]B:403 |
12 |
1 |
314 |
f |
B |
x,y,z |
1_555 |
31 |
17 |
12506 |
197.2 |
0.2 |
0.471 |
7 |
0 |
0 |
0.043 |
| 6 |
8 |
|
[FLC]D:403 |
12 |
1 |
306 |
f |
D |
x,y,z |
1_555 |
28 |
15 |
12420 |
193.1 |
0.5 |
0.508 |
7 |
0 |
0 |
0.419 |
| 7 |
9 |
|
[DTT]A:407 |
8 |
1 |
298 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
12534 |
186.0 |
-2.7 |
0.554 |
7 |
0 |
0 |
0.086 |
| 8 |
10 |
|
[DTT]C:407 |
8 |
1 |
289 |
f |
C |
x,y,z |
1_555 |
28 |
15 |
12496 |
183.1 |
-1.1 |
0.675 |
5 |
0 |
0 |
0.045 |
| 9 |
11 |
|
B |
19 |
6 |
12506 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
11 |
6 |
12496 |
128.3 |
0.6 |
0.666 |
0 |
0 |
0 |
0.000 |
12 |
|
D |
18 |
6 |
12420 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
5 |
12534 |
109.9 |
0.2 |
0.506 |
0 |
0 |
0 |
0.000 |
| Average: |
119.1 |
0.4 |
0.586 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
C |
12 |
4 |
12496 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
12506 |
121.8 |
1.9 |
0.827 |
2 |
2 |
0 |
0.000 |
| 11 |
14 |
|
[BME]B:404 |
4 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
12506 |
113.2 |
-1.1 |
0.347 |
6 |
0 |
0 |
0.056 |
| 12 |
15 |
|
[BME]C:403 |
4 |
1 |
205 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
12496 |
111.5 |
-1.6 |
0.325 |
4 |
0 |
0 |
0.045 |
| 13 |
16 |
|
[BME]A:404 |
4 |
1 |
203 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12534 |
110.2 |
-1.4 |
0.325 |
3 |
0 |
0 |
0.040 |
| 14 |
17 |
|
A |
11 |
4 |
12534 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
4 |
12496 |
98.7 |
1.0 |
0.750 |
2 |
1 |
0 |
0.000 |
| 15 |
18 |
|
[BME]A:403 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
12506 |
95.5 |
-2.5 |
0.234 |
0 |
0 |
0 |
0.036 |
| 16 |
19 |
|
[BME]C:404 |
4 |
1 |
209 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
12496 |
94.9 |
-1.2 |
0.339 |
1 |
0 |
0 |
0.022 |
| 17 |
20 |
|
[BME]A:406 |
4 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
12534 |
89.2 |
0.6 |
0.563 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[BME]A:405 |
4 |
1 |
207 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
6 |
12506 |
85.1 |
-0.1 |
0.514 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[BME]C:404 |
4 |
1 |
209 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
6 |
12420 |
84.7 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[BME]C:406 |
4 |
1 |
208 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
12496 |
84.7 |
0.5 |
0.574 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[BME]D:404 |
4 |
1 |
205 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
12420 |
79.7 |
-0.7 |
0.403 |
0 |
0 |
0 |
0.108 |
| 22 |
25 |
|
[BME]A:405 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12534 |
75.0 |
-1.1 |
0.317 |
0 |
0 |
0 |
0.016 |
| 23 |
26 |
|
[BME]C:405 |
4 |
1 |
210 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
5 |
12420 |
70.5 |
-0.9 |
0.461 |
2 |
0 |
0 |
0.003 |
| 24 |
27 |
|
[BME]C:405 |
4 |
1 |
210 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12496 |
67.3 |
-1.4 |
0.322 |
1 |
0 |
0 |
0.025 |
| 25 |
28 |
|
[NA]C:408 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
12496 |
61.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.163 |
| 26 |
29 |
|
A |
9 |
3 |
12534 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
12420 |
59.2 |
0.5 |
0.705 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
C |
9 |
4 |
12496 |
◊ |
[BME]D:404 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
205 |
58.8 |
0.4 |
0.485 |
2 |
0 |
0 |
0.002 |
| 28 |
31 |
|
[BME]A:403 |
4 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
12534 |
58.3 |
0.5 |
0.473 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[NA]C:409 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
12496 |
57.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.171 |
33 |
|
[NA]A:408 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
12534 |
56.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.171 |
| Average: |
56.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.171 |
| 30 |
34 |
|
[BME]A:406 |
3 |
1 |
206 |
f |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
12506 |
46.9 |
-1.3 |
0.347 |
1 |
0 |
0 |
0.025 |
| 31 |
35 |
|
[BME]C:403 |
3 |
1 |
205 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
12420 |
43.6 |
1.2 |
0.659 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[BME]A:404 |
3 |
1 |
203 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12506 |
42.9 |
1.0 |
0.651 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[BME]B:404 |
2 |
1 |
205 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12534 |
41.8 |
-0.4 |
0.540 |
0 |
0 |
0 |
0.007 |
| 34 |
38 |
|
[BME]C:406 |
3 |
1 |
208 |
f |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
2 |
12420 |
39.9 |
-1.7 |
0.261 |
1 |
0 |
0 |
0.341 |
| 35 |
39 |
|
[BME]C:405 |
4 |
1 |
210 |
◊ |
[BME]D:404 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
205 |
34.4 |
0.9 |
0.611 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
[BME]A:406 |
2 |
1 |
206 |
◊ |
[BME]A:405 |
x,y,z |
1_555 |
3 |
1 |
207 |
32.5 |
-0.4 |
0.503 |
0 |
0 |
0 |
0.000 |
| 37 |
41 |
|
[BME]C:406 |
2 |
1 |
208 |
◊ |
[BME]D:404 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
205 |
29.3 |
-0.8 |
0.503 |
0 |
0 |
0 |
0.131 |
| 38 |
42 |
|
[DTT]A:407 |
1 |
1 |
298 |
f |
[NA]A:408 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.025 |
| 39 |
43 |
|
[BME]C:406 |
2 |
1 |
208 |
◊ |
[BME]C:405 |
x,y,z |
1_555 |
2 |
1 |
210 |
11.9 |
0.3 |
0.438 |
0 |
0 |
0 |
0.000 |
| 40 |
44 |
|
[DTT]C:407 |
1 |
1 |
289 |
f |
[NA]C:409 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.021 |
| 41 |
45 |
|
[NA]C:408 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12420 |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
|