| ## |
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 |
|
E |
156 |
50 |
14330 |
◊ |
A |
x,y,z |
1_555 |
157 |
50 |
14386 |
1531.1 |
-2.3 |
0.589 |
25 |
10 |
0 |
0.203 |
2 |
|
F |
156 |
47 |
14434 |
◊ |
C |
x,y,z |
1_555 |
152 |
46 |
14316 |
1488.3 |
-3.2 |
0.518 |
24 |
8 |
0 |
0.203 |
3 |
|
D |
147 |
48 |
14296 |
◊ |
B |
x,y,z |
1_555 |
151 |
48 |
14426 |
1476.1 |
-1.7 |
0.604 |
26 |
9 |
0 |
0.203 |
| Average: |
1498.5 |
-2.4 |
0.570 |
25 |
9 |
0 |
0.203 |
| 2 |
4 |
|
D |
93 |
29 |
14296 |
◊ |
E |
-x+3,y-1/2,-z |
2_845 |
92 |
29 |
14330 |
898.1 |
-1.3 |
0.564 |
7 |
9 |
0 |
0.000 |
5 |
|
F |
101 |
30 |
14434 |
◊ |
A |
-x+3,y-1/2,-z+1 |
2_846 |
96 |
29 |
14386 |
885.4 |
-2.5 |
0.497 |
5 |
5 |
0 |
0.000 |
| Average: |
891.7 |
-1.9 |
0.530 |
6 |
7 |
0 |
0.000 |
| 3 |
6 |
|
C |
62 |
21 |
14316 |
◊ |
B |
x-1,y,z |
1_455 |
73 |
22 |
14426 |
617.4 |
0.2 |
0.629 |
6 |
8 |
0 |
0.000 |
| 4 |
7 |
|
[NDP]D:1340 |
47 |
1 |
890 |
f |
D |
x,y,z |
1_555 |
71 |
28 |
14296 |
583.7 |
-3.2 |
0.481 |
18 |
0 |
0 |
0.309 |
8 |
|
[NDP]C:1340 |
47 |
1 |
896 |
f |
C |
x,y,z |
1_555 |
71 |
29 |
14316 |
582.6 |
-3.2 |
0.456 |
19 |
0 |
0 |
0.309 |
9 |
|
[NDP]B:1340 |
47 |
1 |
887 |
f |
B |
x,y,z |
1_555 |
72 |
28 |
14426 |
582.2 |
-3.1 |
0.481 |
19 |
0 |
0 |
0.309 |
10 |
|
[NDP]A:1340 |
45 |
1 |
889 |
f |
A |
x,y,z |
1_555 |
69 |
27 |
14386 |
581.7 |
-3.0 |
0.485 |
19 |
0 |
0 |
0.309 |
11 |
|
[NDP]F:1340 |
46 |
1 |
889 |
f |
F |
x,y,z |
1_555 |
68 |
28 |
14434 |
581.0 |
-3.1 |
0.486 |
19 |
0 |
0 |
0.309 |
12 |
|
[NDP]E:1340 |
46 |
1 |
889 |
f |
E |
x,y,z |
1_555 |
69 |
28 |
14330 |
580.5 |
-3.2 |
0.477 |
18 |
0 |
0 |
0.309 |
| Average: |
582.0 |
-3.1 |
0.478 |
19 |
0 |
0 |
0.309 |
| 5 |
13 |
|
F |
62 |
19 |
14434 |
◊ |
B |
x,y,z |
1_555 |
62 |
21 |
14426 |
558.9 |
-1.1 |
0.383 |
8 |
3 |
0 |
0.036 |
14 |
|
B |
60 |
17 |
14426 |
◊ |
A |
x,y,z |
1_555 |
52 |
20 |
14386 |
537.5 |
-1.7 |
0.325 |
4 |
3 |
0 |
0.036 |
| Average: |
548.2 |
-1.4 |
0.354 |
6 |
3 |
0 |
0.036 |
| 6 |
15 |
|
[SOR]D:1341 |
12 |
1 |
326 |
f |
D |
x,y,z |
1_555 |
35 |
12 |
14296 |
199.4 |
1.0 |
0.381 |
10 |
0 |
0 |
0.043 |
| 7 |
16 |
|
[SOR]E:1341 |
12 |
1 |
322 |
f |
E |
x,y,z |
1_555 |
34 |
11 |
14330 |
198.5 |
1.1 |
0.403 |
8 |
0 |
0 |
0.066 |
17 |
|
[SOR]A:1342 |
12 |
1 |
321 |
f |
A |
x,y,z |
1_555 |
33 |
11 |
14386 |
198.4 |
1.2 |
0.391 |
8 |
0 |
0 |
0.066 |
18 |
|
[SOR]B:1342 |
12 |
1 |
320 |
f |
B |
x,y,z |
1_555 |
32 |
11 |
14426 |
198.3 |
1.0 |
0.383 |
8 |
0 |
0 |
0.066 |
19 |
|
[SOR]F:1341 |
12 |
1 |
320 |
f |
F |
x,y,z |
1_555 |
34 |
11 |
14434 |
195.9 |
1.1 |
0.400 |
8 |
0 |
0 |
0.066 |
20 |
|
[SOR]C:1342 |
12 |
1 |
320 |
f |
C |
x,y,z |
1_555 |
35 |
11 |
14316 |
195.1 |
1.1 |
0.403 |
7 |
0 |
0 |
0.066 |
| Average: |
197.3 |
1.1 |
0.396 |
8 |
0 |
0 |
0.066 |
| 8 |
21 |
|
C |
24 |
8 |
14316 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
14426 |
191.3 |
-2.1 |
0.300 |
3 |
0 |
0 |
0.025 |
22 |
|
D |
22 |
7 |
14296 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
14386 |
171.8 |
-2.8 |
0.137 |
0 |
0 |
0 |
0.025 |
| Average: |
181.5 |
-2.4 |
0.218 |
2 |
0 |
0 |
0.025 |
| 9 |
23 |
|
[SOR]F:1343 |
12 |
1 |
310 |
f |
F |
x,y,z |
1_555 |
31 |
12 |
14434 |
187.5 |
2.8 |
0.408 |
7 |
0 |
0 |
0.004 |
| 10 |
24 |
|
[SOR]A:1341 |
12 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
14386 |
185.4 |
0.5 |
0.398 |
10 |
0 |
0 |
0.054 |
25 |
|
[SOR]B:1341 |
12 |
1 |
316 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
14426 |
182.4 |
0.6 |
0.393 |
10 |
0 |
0 |
0.054 |
| Average: |
183.9 |
0.5 |
0.395 |
10 |
0 |
0 |
0.054 |
| 11 |
26 |
|
[SOR]D:1342 |
12 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
28 |
10 |
14296 |
184.7 |
0.8 |
0.369 |
10 |
0 |
0 |
0.046 |
| 12 |
27 |
|
[SOR]C:1341 |
12 |
1 |
313 |
f |
C |
x,y,z |
1_555 |
28 |
10 |
14316 |
183.2 |
2.7 |
0.481 |
9 |
0 |
0 |
0.017 |
28 |
|
[SOR]E:1342 |
12 |
1 |
311 |
f |
E |
x,y,z |
1_555 |
27 |
9 |
14330 |
181.7 |
2.8 |
0.443 |
9 |
0 |
0 |
0.017 |
| Average: |
182.5 |
2.8 |
0.462 |
9 |
0 |
0 |
0.017 |
| 13 |
29 |
|
[SOR]A:1343 |
11 |
1 |
323 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
14386 |
179.3 |
2.9 |
0.554 |
6 |
0 |
0 |
0.003 |
30 |
|
[SOR]D:1344 |
11 |
1 |
317 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
14296 |
157.1 |
2.0 |
0.490 |
5 |
0 |
0 |
0.003 |
| Average: |
168.2 |
2.4 |
0.522 |
6 |
0 |
0 |
0.003 |
| 14 |
31 |
|
[SOR]B:1343 |
12 |
1 |
318 |
f |
B |
x,y,z |
1_555 |
24 |
12 |
14426 |
176.6 |
2.5 |
0.496 |
4 |
0 |
0 |
0.000 |
| 15 |
32 |
|
[SOR]F:1344 |
11 |
1 |
317 |
f |
F |
x,y,z |
1_555 |
24 |
11 |
14434 |
168.3 |
3.4 |
0.597 |
5 |
0 |
0 |
0.000 |
| 16 |
33 |
|
F |
14 |
5 |
14434 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
14386 |
133.3 |
0.3 |
0.626 |
1 |
1 |
0 |
0.001 |
| 17 |
34 |
|
[SOR]D:1343 |
10 |
1 |
318 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
14296 |
131.9 |
-0.5 |
0.245 |
4 |
0 |
0 |
0.029 |
| 18 |
35 |
|
[SOR]A:1344 |
10 |
1 |
322 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
14386 |
131.3 |
2.3 |
0.518 |
6 |
0 |
0 |
0.005 |
| 19 |
36 |
|
[SOR]F:1342 |
9 |
1 |
317 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
14434 |
128.5 |
-0.4 |
0.273 |
3 |
0 |
0 |
0.022 |
| 20 |
37 |
|
E |
12 |
5 |
14330 |
◊ |
D |
x,y,z |
1_555 |
17 |
9 |
14296 |
116.7 |
0.8 |
0.550 |
1 |
1 |
0 |
0.000 |
38 |
|
D |
10 |
4 |
14296 |
◊ |
C |
x,y,z |
1_555 |
9 |
7 |
14316 |
78.1 |
1.2 |
0.648 |
1 |
1 |
0 |
0.000 |
| Average: |
97.4 |
1.0 |
0.599 |
1 |
1 |
0 |
0.000 |
| 21 |
39 |
|
[SOR]D:1343 |
9 |
1 |
318 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
14316 |
116.5 |
1.4 |
0.413 |
2 |
0 |
0 |
0.000 |
| 22 |
40 |
|
[SO4]C:1343 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
14316 |
74.5 |
-10.6 |
0.746 |
3 |
0 |
0 |
0.158 |
| 23 |
41 |
|
[SOR]C:1341 |
6 |
1 |
313 |
f |
[NDP]C:1340 |
x,y,z |
1_555 |
11 |
1 |
896 |
74.3 |
0.3 |
0.373 |
1 |
0 |
0 |
0.002 |
42 |
|
[SOR]E:1342 |
7 |
1 |
311 |
f |
[NDP]E:1340 |
x,y,z |
1_555 |
11 |
1 |
889 |
74.2 |
0.3 |
0.339 |
1 |
0 |
0 |
0.002 |
| Average: |
74.3 |
0.3 |
0.356 |
1 |
0 |
0 |
0.002 |
| 24 |
43 |
|
[SO4]D:1345 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
14296 |
73.8 |
-10.5 |
0.754 |
4 |
0 |
0 |
0.155 |
| 25 |
44 |
|
[SO4]C:1344 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
14434 |
73.5 |
-9.6 |
0.661 |
1 |
0 |
0 |
0.133 |
| 26 |
45 |
|
[SO4]E:1343 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
14330 |
71.9 |
-10.4 |
0.749 |
3 |
0 |
0 |
0.160 |
| 27 |
46 |
|
[SOR]F:1343 |
6 |
1 |
310 |
f |
[NDP]F:1340 |
x,y,z |
1_555 |
10 |
1 |
889 |
71.4 |
0.7 |
0.378 |
0 |
0 |
0 |
0.000 |
| 28 |
47 |
|
[SO4]B:1344 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14426 |
71.1 |
-10.0 |
0.752 |
3 |
0 |
0 |
0.144 |
| 29 |
48 |
|
[SO4]A:1345 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14386 |
70.9 |
-10.0 |
0.756 |
4 |
0 |
0 |
0.161 |
| 30 |
49 |
|
[SOR]D:1342 |
8 |
1 |
308 |
f |
[NDP]D:1340 |
x,y,z |
1_555 |
9 |
1 |
890 |
70.1 |
-0.9 |
0.268 |
1 |
0 |
0 |
0.017 |
| 31 |
50 |
|
[SOR]B:1341 |
8 |
1 |
316 |
f |
[NDP]B:1340 |
x,y,z |
1_555 |
10 |
1 |
887 |
69.8 |
-1.3 |
0.271 |
1 |
0 |
0 |
0.022 |
51 |
|
[SOR]A:1341 |
8 |
1 |
315 |
f |
[NDP]A:1340 |
x,y,z |
1_555 |
10 |
1 |
889 |
69.4 |
-1.2 |
0.291 |
1 |
0 |
0 |
0.022 |
| Average: |
69.6 |
-1.2 |
0.281 |
1 |
0 |
0 |
0.022 |
| 32 |
52 |
|
[SO4]C:1344 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
14316 |
64.3 |
-8.8 |
0.815 |
1 |
0 |
0 |
0.123 |
| 33 |
53 |
|
[NDP]C:1340 |
3 |
1 |
896 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
14426 |
54.3 |
0.5 |
0.528 |
1 |
0 |
0 |
0.000 |
| 34 |
54 |
|
E |
6 |
3 |
14330 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
14316 |
53.0 |
-0.9 |
0.311 |
0 |
0 |
0 |
0.003 |
| 35 |
55 |
|
[SO4]B:1344 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14386 |
49.9 |
-6.0 |
0.738 |
0 |
0 |
0 |
0.024 |
| 36 |
56 |
|
C |
4 |
2 |
14316 |
◊ |
[NDP]B:1340 |
x-1,y,z |
1_455 |
1 |
1 |
887 |
32.4 |
1.1 |
0.882 |
1 |
0 |
0 |
0.000 |
| 37 |
57 |
|
[SOR]F:1342 |
4 |
1 |
317 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14386 |
28.6 |
0.4 |
0.442 |
0 |
0 |
0 |
0.000 |
| 38 |
58 |
|
[SOR]A:1344 |
2 |
1 |
322 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14426 |
4.1 |
0.1 |
0.386 |
0 |
0 |
0 |
0.000 |
| 39 |
59 |
|
[SO4]E:1343 |
1 |
1 |
185 |
f |
[SOR]E:1342 |
x,y,z |
1_555 |
1 |
1 |
311 |
3.3 |
-0.4 |
0.408 |
0 |
0 |
0 |
0.005 |
| 40 |
60 |
|
[SO4]C:1343 |
1 |
1 |
186 |
f |
[SOR]C:1341 |
x,y,z |
1_555 |
1 |
1 |
313 |
2.1 |
-0.2 |
0.408 |
0 |
0 |
0 |
0.003 |
|