## |
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 |
223 |
61 |
16584 |
◊ |
C |
x,y,z |
1_555 |
222 |
61 |
16265 |
2167.7 |
-23.5 |
0.108 |
33 |
6 |
0 |
0.358 |
2 |
|
B |
225 |
64 |
16723 |
◊ |
A |
x,y,z |
1_555 |
217 |
61 |
16038 |
2149.8 |
-25.9 |
0.077 |
33 |
3 |
0 |
0.358 |
3 |
|
D |
226 |
64 |
16584 |
◊ |
B |
x,y,z |
1_555 |
219 |
61 |
16723 |
2139.2 |
-25.0 |
0.081 |
34 |
6 |
0 |
0.358 |
4 |
|
C |
206 |
54 |
16265 |
◊ |
A |
x,y,z |
1_555 |
219 |
63 |
16038 |
2120.6 |
-26.0 |
0.063 |
31 |
4 |
0 |
0.358 |
Average: |
2144.3 |
-25.1 |
0.082 |
33 |
5 |
0 |
0.358 |
2 |
5 |
|
A |
53 |
16 |
16038 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
40 |
15 |
16584 |
386.0 |
2.4 |
0.826 |
4 |
7 |
0 |
0.000 |
3 |
6 |
|
[8L1]C:501 |
32 |
1 |
710 |
◊ |
C |
x,y,z |
1_555 |
47 |
18 |
16265 |
342.8 |
-2.9 |
0.314 |
3 |
0 |
0 |
0.040 |
7 |
|
[8L1]A:501 |
32 |
1 |
703 |
◊ |
A |
x,y,z |
1_555 |
46 |
18 |
16038 |
335.3 |
-3.7 |
0.278 |
3 |
0 |
0 |
0.040 |
8 |
|
[8L1]D:501 |
31 |
1 |
690 |
◊ |
D |
x,y,z |
1_555 |
49 |
18 |
16584 |
331.8 |
-2.9 |
0.295 |
3 |
0 |
0 |
0.040 |
9 |
|
[8L1]B:502 |
32 |
1 |
707 |
◊ |
B |
x,y,z |
1_555 |
48 |
18 |
16723 |
331.7 |
-3.4 |
0.289 |
3 |
0 |
0 |
0.040 |
Average: |
335.4 |
-3.2 |
0.294 |
3 |
0 |
0 |
0.040 |
4 |
10 |
|
[IMP]A:500 |
22 |
1 |
490 |
f |
A |
x,y,z |
1_555 |
45 |
25 |
16038 |
309.3 |
-5.7 |
0.429 |
11 |
0 |
0 |
0.093 |
11 |
|
[IMP]C:500 |
21 |
1 |
489 |
f |
C |
x,y,z |
1_555 |
48 |
26 |
16265 |
308.0 |
-5.9 |
0.408 |
10 |
0 |
0 |
0.093 |
12 |
|
[IMP]D:500 |
22 |
1 |
488 |
f |
D |
x,y,z |
1_555 |
54 |
28 |
16584 |
307.2 |
-5.4 |
0.438 |
12 |
0 |
0 |
0.093 |
13 |
|
[IMP]B:501 |
22 |
1 |
493 |
f |
B |
x,y,z |
1_555 |
47 |
25 |
16723 |
304.5 |
-5.5 |
0.407 |
11 |
0 |
0 |
0.093 |
Average: |
307.3 |
-5.6 |
0.420 |
11 |
0 |
0 |
0.093 |
5 |
14 |
|
A |
29 |
7 |
16038 |
◊ |
D |
x-1,y,z |
1_455 |
34 |
9 |
16584 |
289.9 |
-1.0 |
0.590 |
1 |
0 |
0 |
0.000 |
6 |
15 |
|
A |
28 |
8 |
16038 |
◊ |
B |
x-1,y-1,z |
1_445 |
33 |
11 |
16723 |
269.4 |
0.8 |
0.773 |
1 |
1 |
0 |
0.000 |
7 |
16 |
|
B |
35 |
10 |
16723 |
◊ |
C |
x,y,z-1 |
1_554 |
26 |
8 |
16265 |
231.8 |
-3.5 |
0.284 |
1 |
0 |
0 |
0.000 |
8 |
17 |
|
C |
22 |
9 |
16265 |
◊ |
B |
x,y-1,z |
1_545 |
27 |
12 |
16723 |
217.8 |
2.8 |
0.883 |
1 |
0 |
0 |
0.000 |
9 |
18 |
|
[8L1]A:501 |
19 |
1 |
703 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
16265 |
167.0 |
-5.5 |
0.262 |
0 |
0 |
0 |
0.049 |
19 |
|
[8L1]B:502 |
19 |
1 |
707 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
16038 |
164.3 |
-5.4 |
0.282 |
0 |
0 |
0 |
0.049 |
20 |
|
[8L1]C:501 |
17 |
1 |
710 |
f |
D |
x,y,z |
1_555 |
24 |
7 |
16584 |
159.9 |
-5.4 |
0.268 |
0 |
0 |
0 |
0.049 |
21 |
|
[8L1]D:501 |
18 |
1 |
690 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
16723 |
159.0 |
-5.7 |
0.253 |
0 |
0 |
0 |
0.049 |
Average: |
162.6 |
-5.5 |
0.266 |
0 |
0 |
0 |
0.049 |
10 |
22 |
|
A |
20 |
7 |
16038 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
5 |
16723 |
137.2 |
4.7 |
0.966 |
2 |
4 |
0 |
0.000 |
11 |
23 |
|
C |
20 |
6 |
16265 |
◊ |
D |
x-1,y-1,z |
1_445 |
12 |
6 |
16584 |
112.5 |
0.8 |
0.754 |
0 |
0 |
0 |
0.000 |
12 |
24 |
|
A |
10 |
3 |
16038 |
◊ |
C |
x-1,y,z-1 |
1_454 |
15 |
4 |
16265 |
100.6 |
0.7 |
0.748 |
1 |
0 |
0 |
0.000 |
25 |
|
B |
20 |
6 |
16723 |
◊ |
D |
x-1,y,z-1 |
1_454 |
12 |
5 |
16584 |
97.5 |
0.4 |
0.708 |
0 |
0 |
0 |
0.000 |
Average: |
99.1 |
0.5 |
0.728 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
[GOL]B:504 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16723 |
90.6 |
0.7 |
0.674 |
2 |
0 |
0 |
0.000 |
14 |
27 |
|
[K]A:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
16723 |
88.2 |
-60.8 |
0.000 |
0 |
0 |
0 |
0.267 |
28 |
|
[K]B:503 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
16584 |
86.3 |
-59.3 |
0.000 |
0 |
0 |
0 |
0.267 |
Average: |
87.2 |
-60.1 |
0.000 |
0 |
0 |
0 |
0.267 |
15 |
29 |
|
B |
7 |
6 |
16723 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
7 |
16584 |
78.9 |
0.6 |
0.744 |
0 |
0 |
0 |
0.000 |
16 |
30 |
|
[K]B:503 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
16723 |
74.9 |
-47.8 |
0.000 |
0 |
0 |
0 |
0.208 |
31 |
|
[K]A:502 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
16038 |
73.5 |
-46.1 |
0.000 |
0 |
0 |
0 |
0.208 |
Average: |
74.2 |
-47.0 |
0.000 |
0 |
0 |
0 |
0.208 |
17 |
32 |
|
A |
6 |
2 |
16038 |
◊ |
D |
x-1,y-1,z |
1_445 |
9 |
4 |
16584 |
66.7 |
-0.8 |
0.378 |
0 |
1 |
0 |
0.000 |
18 |
33 |
|
B |
8 |
4 |
16723 |
◊ |
C |
x-1,y,z-1 |
1_454 |
11 |
4 |
16265 |
60.1 |
1.6 |
0.862 |
1 |
0 |
0 |
0.000 |
19 |
34 |
|
[8L1]B:502 |
8 |
1 |
707 |
◊ |
[IMP]B:501 |
x,y,z |
1_555 |
12 |
1 |
493 |
60.0 |
3.0 |
0.721 |
0 |
0 |
0 |
0.000 |
35 |
|
[8L1]C:501 |
8 |
1 |
710 |
◊ |
[IMP]C:500 |
x,y,z |
1_555 |
12 |
1 |
489 |
57.8 |
2.9 |
0.718 |
0 |
0 |
0 |
0.000 |
36 |
|
[8L1]A:501 |
8 |
1 |
703 |
◊ |
[IMP]A:500 |
x,y,z |
1_555 |
13 |
1 |
490 |
57.1 |
2.9 |
0.712 |
0 |
0 |
0 |
0.000 |
37 |
|
[8L1]D:501 |
8 |
1 |
690 |
◊ |
[IMP]D:500 |
x,y,z |
1_555 |
12 |
1 |
488 |
56.1 |
2.9 |
0.721 |
0 |
0 |
0 |
0.000 |
Average: |
57.8 |
2.9 |
0.718 |
0 |
0 |
0 |
0.000 |
20 |
38 |
|
A |
4 |
3 |
16038 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
3 |
16265 |
59.8 |
-1.0 |
0.217 |
0 |
0 |
0 |
0.000 |
21 |
39 |
|
[GOL]B:504 |
4 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
16584 |
49.4 |
-0.0 |
0.515 |
0 |
0 |
0 |
0.000 |
22 |
40 |
|
[IMP]A:500 |
1 |
1 |
490 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16265 |
12.0 |
-0.8 |
0.310 |
0 |
0 |
0 |
0.007 |
41 |
|
[IMP]D:500 |
1 |
1 |
488 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16723 |
11.7 |
-0.8 |
0.301 |
0 |
0 |
0 |
0.007 |
42 |
|
[IMP]B:501 |
1 |
1 |
493 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16038 |
11.5 |
-0.8 |
0.286 |
0 |
0 |
0 |
0.007 |
43 |
|
[IMP]C:500 |
1 |
1 |
489 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16584 |
11.3 |
-0.8 |
0.217 |
0 |
0 |
0 |
0.007 |
Average: |
11.6 |
-0.8 |
0.279 |
0 |
0 |
0 |
0.007 |
23 |
44 |
|
[K]A:502 |
1 |
1 |
216 |
f |
[IMP]B:501 |
x,y,z |
1_555 |
1 |
1 |
493 |
2.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
45 |
|
[K]B:503 |
1 |
1 |
216 |
f |
[IMP]D:500 |
x,y,z |
1_555 |
1 |
1 |
488 |
1.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
1.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
|