## |
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 |
|
F |
130 |
31 |
14537 |
◊ |
A |
x,y,z |
1_555 |
118 |
29 |
14639 |
1139.0 |
-7.7 |
0.294 |
12 |
7 |
0 |
0.499 |
2 |
|
E |
125 |
30 |
14531 |
◊ |
B |
x,y,z |
1_555 |
115 |
29 |
14780 |
1137.3 |
-8.4 |
0.247 |
13 |
8 |
0 |
0.499 |
3 |
|
C |
118 |
29 |
14571 |
◊ |
A |
x,y,z |
1_555 |
130 |
31 |
14639 |
1137.3 |
-7.1 |
0.315 |
14 |
7 |
0 |
0.499 |
4 |
|
D |
115 |
28 |
14452 |
◊ |
B |
x,y,z |
1_555 |
130 |
30 |
14780 |
1133.4 |
-7.6 |
0.290 |
11 |
7 |
0 |
0.499 |
5 |
|
E |
116 |
30 |
14531 |
◊ |
D |
x,y,z |
1_555 |
131 |
29 |
14452 |
1118.9 |
-6.4 |
0.361 |
13 |
8 |
0 |
0.499 |
6 |
|
F |
116 |
28 |
14537 |
◊ |
C |
x,y,z |
1_555 |
130 |
28 |
14571 |
1115.8 |
-5.7 |
0.394 |
14 |
11 |
0 |
0.499 |
Average: |
1130.3 |
-7.1 |
0.317 |
13 |
8 |
0 |
0.499 |
2 |
7 |
|
F |
81 |
22 |
14537 |
◊ |
B |
x,y,z |
1_555 |
80 |
22 |
14780 |
745.5 |
-8.3 |
0.151 |
9 |
2 |
0 |
0.316 |
8 |
|
D |
80 |
21 |
14452 |
◊ |
C |
x,y,z |
1_555 |
77 |
21 |
14571 |
726.1 |
-9.2 |
0.092 |
10 |
2 |
0 |
0.316 |
9 |
|
E |
78 |
22 |
14531 |
◊ |
A |
x,y,z |
1_555 |
69 |
19 |
14639 |
710.7 |
-9.0 |
0.094 |
7 |
2 |
0 |
0.316 |
Average: |
727.4 |
-8.8 |
0.112 |
9 |
2 |
0 |
0.316 |
3 |
10 |
|
A |
63 |
23 |
14639 |
◊ |
C |
-x+1/2,y-1/2,-z+2 |
3_547 |
59 |
17 |
14571 |
550.3 |
1.0 |
0.713 |
4 |
1 |
0 |
0.000 |
4 |
11 |
|
E |
41 |
11 |
14531 |
◊ |
C |
x,y,z |
1_555 |
42 |
11 |
14571 |
391.3 |
2.1 |
0.803 |
5 |
7 |
0 |
0.000 |
12 |
|
F |
42 |
10 |
14537 |
◊ |
D |
x,y,z |
1_555 |
42 |
10 |
14452 |
378.2 |
2.4 |
0.830 |
5 |
5 |
0 |
0.000 |
13 |
|
B |
37 |
11 |
14780 |
◊ |
A |
x,y,z |
1_555 |
36 |
10 |
14639 |
331.6 |
3.4 |
0.888 |
2 |
6 |
0 |
0.000 |
Average: |
367.1 |
2.6 |
0.840 |
4 |
6 |
0 |
0.001 |
5 |
14 |
|
D |
42 |
14 |
14452 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
35 |
14 |
14537 |
287.0 |
0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
15 |
|
E |
35 |
13 |
14531 |
◊ |
C |
x-1/2,-y+1/2,-z+2 |
4_457 |
39 |
14 |
14571 |
276.2 |
-0.2 |
0.572 |
0 |
0 |
0 |
0.000 |
Average: |
281.6 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
6 |
16 |
|
B |
21 |
8 |
14780 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
3_546 |
25 |
8 |
14452 |
220.3 |
-1.3 |
0.436 |
0 |
1 |
0 |
0.000 |
7 |
17 |
|
[D6O]A:502 |
10 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
30 |
16 |
14639 |
193.4 |
-1.0 |
0.525 |
2 |
0 |
0 |
0.022 |
18 |
|
[D6O]B:502 |
10 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
29 |
17 |
14780 |
188.6 |
0.2 |
0.624 |
1 |
0 |
0 |
0.022 |
Average: |
191.0 |
-0.4 |
0.575 |
2 |
0 |
0 |
0.022 |
8 |
19 |
|
[G6C]E:502 |
8 |
1 |
246 |
f |
E |
x,y,z |
1_555 |
28 |
17 |
14531 |
162.4 |
-1.7 |
0.476 |
4 |
0 |
0 |
0.225 |
20 |
|
[G6C]F:502 |
8 |
1 |
243 |
f |
F |
x,y,z |
1_555 |
29 |
17 |
14537 |
161.6 |
-2.2 |
0.405 |
4 |
0 |
0 |
0.225 |
21 |
|
[G6C]D:502 |
8 |
1 |
245 |
f |
D |
x,y,z |
1_555 |
28 |
16 |
14452 |
158.8 |
-2.8 |
0.288 |
6 |
0 |
0 |
0.225 |
22 |
|
[G6C]C:502 |
8 |
1 |
244 |
f |
C |
x,y,z |
1_555 |
29 |
17 |
14571 |
154.7 |
-2.7 |
0.313 |
4 |
0 |
0 |
0.225 |
Average: |
159.4 |
-2.4 |
0.370 |
5 |
0 |
0 |
0.225 |
9 |
23 |
|
[PGE]D:504 |
9 |
1 |
330 |
f |
D |
x,y,z |
1_555 |
36 |
12 |
14452 |
153.9 |
1.9 |
0.172 |
4 |
0 |
0 |
0.000 |
24 |
|
[PGE]C:505 |
9 |
1 |
336 |
f |
C |
x,y,z |
1_555 |
32 |
10 |
14571 |
146.6 |
2.5 |
0.192 |
1 |
0 |
0 |
0.000 |
Average: |
150.3 |
2.2 |
0.182 |
3 |
0 |
0 |
0.000 |
10 |
25 |
|
B |
23 |
9 |
14780 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
13 |
3 |
14537 |
129.1 |
0.6 |
0.689 |
1 |
1 |
0 |
0.000 |
26 |
|
E |
10 |
3 |
14531 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
19 |
7 |
14639 |
83.8 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
Average: |
106.5 |
0.3 |
0.647 |
1 |
1 |
0 |
0.000 |
11 |
27 |
|
[EDO]C:504 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
20 |
5 |
14571 |
102.9 |
3.3 |
0.530 |
4 |
0 |
0 |
0.000 |
12 |
28 |
|
[EDO]F:503 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
20 |
6 |
14537 |
97.4 |
2.1 |
0.409 |
1 |
0 |
0 |
0.000 |
13 |
29 |
|
[EDO]D:503 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
14452 |
97.3 |
2.6 |
0.261 |
2 |
0 |
0 |
0.000 |
14 |
30 |
|
[EDO]E:503 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
14531 |
96.8 |
2.4 |
0.417 |
2 |
0 |
0 |
0.000 |
15 |
31 |
|
[EDO]C:503 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
14571 |
93.4 |
2.0 |
0.232 |
2 |
0 |
0 |
0.000 |
16 |
32 |
|
[EDO]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
14639 |
93.3 |
1.8 |
0.215 |
1 |
0 |
0 |
0.000 |
17 |
33 |
|
[EDO]F:504 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
14537 |
92.4 |
2.2 |
0.259 |
3 |
0 |
0 |
0.000 |
18 |
34 |
|
[EDO]E:504 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
20 |
6 |
14531 |
86.2 |
1.9 |
0.240 |
1 |
0 |
0 |
0.000 |
19 |
35 |
|
A |
3 |
2 |
14639 |
◊ |
C |
x-1/2,-y+1/2,-z+2 |
4_457 |
9 |
2 |
14571 |
76.3 |
1.1 |
0.848 |
2 |
4 |
0 |
0.000 |
36 |
|
D |
9 |
2 |
14452 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
14780 |
65.8 |
1.0 |
0.826 |
1 |
2 |
0 |
0.000 |
Average: |
71.1 |
1.0 |
0.837 |
2 |
3 |
0 |
0.000 |
20 |
37 |
|
C |
6 |
1 |
14571 |
◊ |
F |
x-1/2,-y+1/2,-z+2 |
4_457 |
11 |
3 |
14537 |
74.0 |
0.5 |
0.678 |
1 |
1 |
0 |
0.000 |
38 |
|
E |
1 |
1 |
14531 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
14452 |
10.3 |
0.5 |
0.881 |
0 |
0 |
0 |
0.000 |
Average: |
42.1 |
0.5 |
0.780 |
1 |
1 |
0 |
0.000 |
21 |
39 |
|
[FE2]B:501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14780 |
68.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.510 |
40 |
|
[FE2]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14639 |
67.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.510 |
41 |
|
[FE2]F:501 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
7 |
5 |
14537 |
61.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.510 |
42 |
|
[FE2]E:501 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
14531 |
61.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.510 |
43 |
|
[FE2]D:501 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
14452 |
59.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.510 |
44 |
|
[FE2]C:501 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
14571 |
58.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.510 |
Average: |
62.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.510 |
22 |
45 |
|
[G6C]D:502 |
3 |
1 |
245 |
f |
[FE2]D:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.096 |
46 |
|
[G6C]C:502 |
3 |
1 |
244 |
f |
[FE2]C:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.096 |
47 |
|
[G6C]E:502 |
3 |
1 |
246 |
f |
[FE2]E:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.096 |
48 |
|
[G6C]F:502 |
3 |
1 |
243 |
f |
[FE2]F:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
21.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.096 |
23 |
49 |
|
E |
3 |
2 |
14531 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
3 |
14780 |
24.2 |
0.6 |
0.838 |
1 |
1 |
0 |
0.000 |
50 |
|
A |
2 |
2 |
14639 |
◊ |
F |
x-1/2,-y+1/2,-z+2 |
4_457 |
2 |
2 |
14537 |
11.3 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
Average: |
17.7 |
0.3 |
0.661 |
1 |
1 |
0 |
0.000 |
24 |
51 |
|
[D6O]A:502 |
3 |
1 |
276 |
f |
[FE2]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.021 |
52 |
|
[D6O]B:502 |
3 |
1 |
278 |
f |
[FE2]B:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
17.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.021 |
25 |
53 |
|
E |
4 |
2 |
14531 |
◊ |
F |
x-1/2,-y+1/2,-z+2 |
4_457 |
3 |
3 |
14537 |
17.4 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
54 |
|
E |
3 |
1 |
14531 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
14537 |
14.6 |
0.8 |
0.895 |
0 |
0 |
0 |
0.000 |
Average: |
16.0 |
0.4 |
0.752 |
0 |
0 |
0 |
0.000 |
|