## |
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 |
469 |
119 |
24168 |
◊ |
A |
x,y,z |
1_555 |
466 |
128 |
19902 |
4453.7 |
-53.1 |
0.014 |
57 |
19 |
0 |
0.526 |
2 |
|
D |
468 |
117 |
24129 |
◊ |
C |
x,y,z |
1_555 |
461 |
128 |
19792 |
4424.3 |
-55.0 |
0.011 |
57 |
19 |
0 |
0.526 |
Average: |
4439.0 |
-54.1 |
0.013 |
57 |
19 |
0 |
0.526 |
2 |
3 |
|
D |
314 |
78 |
24129 |
◊ |
B |
x,y,z |
1_555 |
311 |
79 |
24168 |
2909.9 |
-20.1 |
0.481 |
47 |
26 |
0 |
0.686 |
3 |
4 |
|
B |
143 |
36 |
24168 |
◊ |
C |
x,y,z |
1_555 |
149 |
38 |
19792 |
1284.9 |
-16.2 |
0.164 |
14 |
6 |
0 |
0.319 |
5 |
|
D |
145 |
36 |
24129 |
◊ |
A |
x,y,z |
1_555 |
148 |
38 |
19902 |
1263.0 |
-16.1 |
0.146 |
14 |
6 |
0 |
0.319 |
Average: |
1273.9 |
-16.2 |
0.155 |
14 |
6 |
0 |
0.319 |
4 |
6 |
|
D |
40 |
15 |
24129 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
47 |
21 |
19792 |
401.9 |
1.4 |
0.823 |
4 |
3 |
0 |
0.000 |
7 |
|
A |
54 |
24 |
19902 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
18 |
24168 |
398.9 |
-3.8 |
0.340 |
1 |
1 |
0 |
0.000 |
Average: |
400.4 |
-1.2 |
0.581 |
3 |
2 |
0 |
0.000 |
5 |
8 |
|
D |
35 |
9 |
24129 |
◊ |
A |
x,y,z-1 |
1_554 |
34 |
9 |
19902 |
326.7 |
-1.5 |
0.522 |
2 |
4 |
0 |
0.000 |
9 |
|
C |
35 |
9 |
19792 |
◊ |
B |
x,y,z-1 |
1_554 |
34 |
8 |
24168 |
325.7 |
-1.2 |
0.537 |
4 |
4 |
0 |
0.000 |
Average: |
326.2 |
-1.3 |
0.529 |
3 |
4 |
0 |
0.000 |
6 |
10 |
|
C |
39 |
13 |
19792 |
◊ |
A |
x,y,z-1 |
1_554 |
33 |
12 |
19902 |
311.0 |
6.1 |
0.974 |
3 |
2 |
0 |
0.000 |
7 |
11 |
|
[ICS]A:502 |
16 |
1 |
471 |
f |
A |
x,y,z |
1_555 |
48 |
18 |
19902 |
285.9 |
-18.3 |
0.733 |
5 |
0 |
0 |
0.281 |
12 |
|
[ICS]C:502 |
16 |
1 |
470 |
f |
C |
x,y,z |
1_555 |
49 |
18 |
19792 |
284.2 |
-18.3 |
0.743 |
5 |
0 |
0 |
0.281 |
Average: |
285.1 |
-18.3 |
0.738 |
5 |
0 |
0 |
0.281 |
8 |
13 |
|
A |
27 |
7 |
19902 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
6 |
19902 |
237.3 |
-1.6 |
0.303 |
1 |
0 |
0 |
0.000 |
14 |
|
C |
22 |
5 |
19792 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
25 |
7 |
19792 |
228.2 |
-1.4 |
0.208 |
2 |
0 |
0 |
0.000 |
Average: |
232.7 |
-1.5 |
0.255 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
27 |
9 |
19902 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
10 |
24168 |
209.3 |
-0.8 |
0.602 |
1 |
1 |
0 |
0.000 |
10 |
16 |
|
C |
22 |
7 |
19792 |
◊ |
B |
x-1,y,z-1 |
1_454 |
21 |
8 |
24168 |
203.9 |
-0.3 |
0.657 |
3 |
2 |
0 |
0.000 |
11 |
17 |
|
[HCA]A:501 |
13 |
1 |
347 |
f |
A |
x,y,z |
1_555 |
35 |
17 |
19902 |
197.7 |
0.7 |
0.410 |
5 |
0 |
0 |
0.016 |
18 |
|
[HCA]C:501 |
13 |
1 |
346 |
f |
C |
x,y,z |
1_555 |
37 |
17 |
19792 |
190.8 |
0.7 |
0.446 |
4 |
0 |
0 |
0.016 |
Average: |
194.3 |
0.7 |
0.428 |
5 |
0 |
0 |
0.016 |
12 |
19 |
|
[CLF]C:505 |
12 |
1 |
448 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
19792 |
180.3 |
-18.1 |
0.086 |
0 |
0 |
0 |
0.247 |
20 |
|
[CLF]A:508 |
12 |
1 |
445 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19902 |
179.6 |
-18.0 |
0.079 |
0 |
0 |
0 |
0.247 |
Average: |
179.9 |
-18.0 |
0.083 |
0 |
0 |
0 |
0.247 |
13 |
21 |
|
[CLF]A:508 |
12 |
1 |
445 |
◊ |
B |
x,y,z |
1_555 |
25 |
12 |
24168 |
178.6 |
-17.4 |
0.099 |
0 |
0 |
0 |
0.110 |
22 |
|
[CLF]C:505 |
12 |
1 |
448 |
◊ |
D |
x,y,z |
1_555 |
27 |
12 |
24129 |
177.3 |
-17.4 |
0.106 |
0 |
0 |
0 |
0.110 |
Average: |
178.0 |
-17.4 |
0.103 |
0 |
0 |
0 |
0.110 |
14 |
23 |
|
[IMD]D:602 |
5 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
23 |
11 |
24129 |
128.0 |
4.3 |
0.503 |
2 |
0 |
0 |
0.000 |
15 |
24 |
|
[IMD]B:602 |
5 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
24168 |
126.0 |
4.2 |
0.509 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[IMD]A:504 |
5 |
1 |
196 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
19902 |
112.0 |
2.8 |
0.345 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
B |
12 |
4 |
24168 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
5 |
24129 |
108.6 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[IMD]B:605 |
5 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
24168 |
107.8 |
4.3 |
0.481 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[IMD]D:603 |
5 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
24129 |
105.9 |
3.7 |
0.305 |
2 |
0 |
0 |
0.000 |
20 |
29 |
|
[IMD]A:503 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
19902 |
88.6 |
2.9 |
0.250 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[IMD]C:503 |
5 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
19792 |
87.3 |
2.7 |
0.250 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
C |
12 |
3 |
19792 |
◊ |
[IMD]B:603 |
x,y,z-1 |
1_554 |
5 |
1 |
196 |
73.9 |
2.3 |
0.236 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[IMD]D:601 |
5 |
1 |
197 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
3 |
19902 |
73.8 |
1.9 |
0.210 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[IMD]B:603 |
5 |
1 |
196 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
19902 |
63.7 |
1.4 |
0.159 |
1 |
0 |
0 |
0.000 |
25 |
34 |
|
[ICS]A:502 |
6 |
1 |
471 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
7 |
1 |
347 |
62.0 |
-1.9 |
0.640 |
0 |
0 |
0 |
0.047 |
35 |
|
[ICS]C:502 |
6 |
1 |
470 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
346 |
60.0 |
-3.4 |
0.415 |
0 |
0 |
0 |
0.047 |
Average: |
61.0 |
-2.7 |
0.527 |
0 |
0 |
0 |
0.047 |
26 |
36 |
|
[IMD]D:601 |
5 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
19792 |
62.0 |
1.4 |
0.143 |
1 |
0 |
0 |
0.000 |
27 |
37 |
|
[MG]A:506 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
9 |
19902 |
58.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.099 |
28 |
38 |
|
[IMD]D:601 |
3 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
24129 |
55.4 |
1.1 |
0.344 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
[IMD]B:603 |
3 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
24168 |
54.1 |
1.0 |
0.275 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
24168 |
52.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.199 |
31 |
41 |
|
[MG]A:507 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19902 |
51.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.106 |
32 |
42 |
|
[CMO]A:505 |
2 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
19902 |
46.3 |
-2.2 |
0.156 |
1 |
0 |
0 |
0.029 |
33 |
43 |
|
[CMO]C:504 |
2 |
1 |
134 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
19792 |
45.8 |
-2.2 |
0.172 |
1 |
0 |
0 |
0.036 |
34 |
44 |
|
[MG]D:605 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
24129 |
44.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.079 |
35 |
45 |
|
[HCA]A:501 |
7 |
1 |
347 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24168 |
44.1 |
1.0 |
0.469 |
0 |
0 |
0 |
0.000 |
46 |
|
[HCA]C:501 |
7 |
1 |
346 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
24129 |
41.6 |
1.2 |
0.558 |
0 |
0 |
0 |
0.000 |
Average: |
42.9 |
1.1 |
0.513 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[CMO]C:504 |
2 |
1 |
134 |
cf |
[ICS]C:502 |
x,y,z |
1_555 |
6 |
1 |
470 |
42.5 |
-3.2 |
0.500 |
0 |
0 |
0 |
0.044 |
37 |
48 |
|
[CMO]A:505 |
2 |
1 |
133 |
cf |
[ICS]A:502 |
x,y,z |
1_555 |
6 |
1 |
471 |
42.2 |
-3.1 |
0.500 |
0 |
0 |
0 |
0.034 |
38 |
49 |
|
[IMD]A:504 |
2 |
1 |
196 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
24129 |
42.0 |
1.6 |
0.531 |
0 |
0 |
0 |
0.000 |
39 |
50 |
|
[MG]D:604 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
24129 |
40.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.081 |
40 |
51 |
|
D |
4 |
1 |
24129 |
x |
D |
x-1,y,z |
1_455 |
4 |
2 |
24129 |
38.0 |
-0.2 |
0.529 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[CA]B:601 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
24129 |
27.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.154 |
53 |
|
[CA]B:606 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
24168 |
27.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.154 |
Average: |
27.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.154 |
42 |
54 |
|
[CA]B:601 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
24168 |
25.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.150 |
55 |
|
[CA]B:606 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
24129 |
25.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
25.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.150 |
43 |
56 |
|
[MG]D:605 |
1 |
1 |
98 |
◊ |
[HCA]C:501 |
x,y,z |
1_555 |
5 |
1 |
346 |
25.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.016 |
44 |
57 |
|
A |
4 |
2 |
19902 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
2 |
24129 |
20.9 |
0.3 |
0.719 |
0 |
0 |
0 |
0.000 |
45 |
58 |
|
[CA]B:606 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
19902 |
18.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.016 |
59 |
|
[CA]B:601 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
19792 |
17.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
18.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.016 |
46 |
60 |
|
[MG]D:605 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
19792 |
14.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.010 |
47 |
61 |
|
[CMO]A:505 |
2 |
1 |
133 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
4 |
1 |
347 |
11.2 |
0.1 |
0.502 |
0 |
0 |
0 |
0.000 |
48 |
62 |
|
[CMO]C:504 |
2 |
1 |
134 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
4 |
1 |
346 |
10.3 |
0.1 |
0.489 |
0 |
0 |
0 |
0.000 |
49 |
63 |
|
B |
1 |
1 |
24168 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
24168 |
0.8 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
|