## |
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 |
195 |
44 |
9762 |
◊ |
A |
x,y,z |
1_555 |
180 |
47 |
18750 |
1753.8 |
-14.7 |
0.272 |
29 |
14 |
0 |
0.300 |
2 |
|
D |
194 |
45 |
9783 |
◊ |
C |
x,y,z |
1_555 |
180 |
47 |
18754 |
1748.7 |
-14.7 |
0.283 |
27 |
15 |
0 |
0.300 |
3 |
|
F |
192 |
44 |
9781 |
◊ |
E |
x,y,z |
1_555 |
175 |
47 |
18718 |
1746.3 |
-14.5 |
0.275 |
29 |
14 |
0 |
0.300 |
Average: |
1749.6 |
-14.6 |
0.277 |
28 |
14 |
0 |
0.300 |
2 |
4 |
|
E |
172 |
43 |
18718 |
◊ |
C |
x,y,z |
1_555 |
156 |
44 |
18754 |
1558.2 |
-14.1 |
0.107 |
28 |
10 |
0 |
0.254 |
5 |
|
C |
164 |
43 |
18754 |
◊ |
A |
x,y,z |
1_555 |
158 |
45 |
18750 |
1550.2 |
-13.0 |
0.130 |
29 |
9 |
0 |
0.254 |
6 |
|
E |
159 |
45 |
18718 |
◊ |
A |
x,y,z |
1_555 |
164 |
43 |
18750 |
1548.5 |
-13.0 |
0.128 |
28 |
10 |
0 |
0.254 |
Average: |
1552.3 |
-13.4 |
0.121 |
28 |
10 |
0 |
0.254 |
3 |
7 |
|
F |
122 |
33 |
9781 |
◊ |
D |
x,y,z |
1_555 |
130 |
34 |
9783 |
1125.5 |
-6.7 |
0.572 |
16 |
7 |
0 |
1.000 |
8 |
|
D |
121 |
33 |
9783 |
◊ |
B |
x,y,z |
1_555 |
132 |
35 |
9762 |
1116.2 |
-6.7 |
0.579 |
16 |
7 |
0 |
1.000 |
9 |
|
F |
130 |
34 |
9781 |
◊ |
B |
x,y,z |
1_555 |
120 |
33 |
9762 |
1112.3 |
-6.6 |
0.576 |
16 |
7 |
0 |
1.000 |
Average: |
1118.0 |
-6.7 |
0.576 |
16 |
7 |
0 |
1.000 |
4 |
10 |
|
B |
31 |
9 |
9762 |
◊ |
C |
x,y,z |
1_555 |
39 |
14 |
18754 |
298.6 |
-0.4 |
0.337 |
5 |
2 |
0 |
0.018 |
11 |
|
F |
32 |
9 |
9781 |
◊ |
A |
x,y,z |
1_555 |
40 |
14 |
18750 |
298.3 |
-0.2 |
0.350 |
5 |
2 |
0 |
0.018 |
12 |
|
D |
33 |
9 |
9783 |
◊ |
E |
x,y,z |
1_555 |
39 |
14 |
18718 |
289.6 |
-0.5 |
0.351 |
5 |
2 |
0 |
0.018 |
Average: |
295.5 |
-0.4 |
0.346 |
5 |
2 |
0 |
0.018 |
5 |
13 |
|
E |
30 |
8 |
18718 |
x |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
33 |
9 |
18718 |
270.0 |
0.5 |
0.530 |
4 |
0 |
0 |
0.000 |
6 |
14 |
|
C |
28 |
8 |
18754 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
33 |
9 |
18718 |
245.8 |
0.2 |
0.548 |
2 |
1 |
0 |
0.000 |
7 |
15 |
|
C |
27 |
9 |
18754 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
7 |
18750 |
206.2 |
-1.5 |
0.420 |
1 |
2 |
0 |
0.000 |
8 |
16 |
|
[MPD]E:1712 |
7 |
1 |
280 |
f |
E |
x,y,z |
1_555 |
31 |
16 |
18718 |
195.2 |
-13.8 |
0.386 |
0 |
0 |
0 |
0.108 |
9 |
17 |
|
[MPD]C:1704 |
7 |
1 |
284 |
f |
C |
x,y,z |
1_555 |
33 |
14 |
18754 |
187.3 |
-14.1 |
0.426 |
3 |
0 |
0 |
0.160 |
10 |
18 |
|
[MPD]E:1708 |
7 |
1 |
279 |
f |
E |
x,y,z |
1_555 |
35 |
14 |
18718 |
184.3 |
-13.9 |
0.436 |
3 |
0 |
0 |
0.149 |
19 |
|
[MPD]A:1700 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
35 |
14 |
18750 |
183.2 |
-13.8 |
0.437 |
3 |
0 |
0 |
0.149 |
Average: |
183.7 |
-13.9 |
0.437 |
3 |
0 |
0 |
0.149 |
11 |
20 |
|
C |
14 |
4 |
18754 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
5 |
18750 |
133.2 |
-1.5 |
0.264 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
[MPD]E:1713 |
7 |
1 |
276 |
f |
E |
x,y,z |
1_555 |
25 |
10 |
18718 |
133.0 |
-8.8 |
0.773 |
2 |
0 |
0 |
0.075 |
13 |
22 |
|
[MPD]E:1705 |
6 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
17 |
4 |
18754 |
118.1 |
-7.9 |
0.426 |
0 |
0 |
0 |
0.082 |
14 |
23 |
|
[FES]E:501 |
4 |
1 |
237 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
18718 |
113.3 |
-14.9 |
0.634 |
2 |
0 |
0 |
0.164 |
24 |
|
[FES]A:501 |
4 |
1 |
236 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
18750 |
112.3 |
-14.9 |
0.637 |
2 |
0 |
0 |
0.164 |
25 |
|
[FES]C:501 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
18754 |
112.2 |
-14.9 |
0.634 |
2 |
0 |
0 |
0.164 |
Average: |
112.6 |
-14.9 |
0.635 |
2 |
0 |
0 |
0.164 |
15 |
26 |
|
[MPD]A:1709 |
7 |
1 |
279 |
f |
E |
x,y,z |
1_555 |
16 |
4 |
18718 |
109.0 |
-7.1 |
0.465 |
0 |
0 |
0 |
0.056 |
16 |
27 |
|
[MPD]A:1703 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
18750 |
105.8 |
-4.6 |
0.882 |
3 |
0 |
0 |
0.059 |
28 |
|
[MPD]E:1711 |
7 |
1 |
276 |
f |
E |
x,y,z |
1_555 |
18 |
4 |
18718 |
105.0 |
-4.7 |
0.880 |
3 |
0 |
0 |
0.059 |
Average: |
105.4 |
-4.7 |
0.881 |
3 |
0 |
0 |
0.059 |
17 |
29 |
|
[MPD]E:1710 |
7 |
1 |
279 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
18718 |
104.6 |
-5.5 |
0.821 |
1 |
0 |
0 |
0.046 |
18 |
30 |
|
[MPD]C:1707 |
6 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
18 |
4 |
18754 |
103.6 |
-4.4 |
0.876 |
3 |
0 |
0 |
0.060 |
19 |
31 |
|
[MPD]C:1701 |
5 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
18750 |
100.9 |
-6.3 |
0.561 |
0 |
0 |
0 |
0.062 |
20 |
32 |
|
[MPD]A:1702 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
18750 |
99.5 |
-5.4 |
0.817 |
1 |
0 |
0 |
0.058 |
21 |
33 |
|
[MPD]C:1707 |
6 |
1 |
280 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
9783 |
86.2 |
-5.2 |
0.744 |
1 |
0 |
0 |
0.058 |
22 |
34 |
|
[MPD]A:1703 |
6 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
9762 |
85.9 |
-5.2 |
0.717 |
1 |
0 |
0 |
0.056 |
35 |
|
[MPD]E:1711 |
5 |
1 |
276 |
◊ |
F |
x,y,z |
1_555 |
17 |
5 |
9781 |
83.5 |
-5.1 |
0.716 |
1 |
0 |
0 |
0.056 |
Average: |
84.7 |
-5.1 |
0.717 |
1 |
0 |
0 |
0.056 |
23 |
36 |
|
[MPD]E:1705 |
6 |
1 |
279 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
18718 |
81.9 |
-3.4 |
0.942 |
2 |
0 |
0 |
0.013 |
24 |
37 |
|
[MPD]A:1709 |
6 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
18750 |
79.0 |
-3.1 |
0.952 |
2 |
0 |
0 |
0.012 |
25 |
38 |
|
[MPD]C:1701 |
6 |
1 |
275 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
18754 |
74.6 |
-2.7 |
0.000 |
1 |
0 |
0 |
0.010 |
26 |
39 |
|
[FE]C:502 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
18754 |
67.7 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.140 |
40 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
18750 |
67.3 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.140 |
41 |
|
[FE]E:502 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
18718 |
66.3 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
67.1 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.140 |
27 |
42 |
|
[MPD]A:1703 |
6 |
1 |
281 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
18754 |
60.3 |
-2.5 |
0.915 |
1 |
0 |
0 |
0.018 |
43 |
|
[MPD]E:1711 |
5 |
1 |
276 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
18750 |
58.9 |
-2.6 |
0.889 |
1 |
0 |
0 |
0.018 |
Average: |
59.6 |
-2.5 |
0.902 |
1 |
0 |
0 |
0.018 |
28 |
44 |
|
[MPD]C:1707 |
5 |
1 |
280 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
18718 |
60.2 |
-2.7 |
0.908 |
0 |
0 |
0 |
0.008 |
29 |
45 |
|
D |
8 |
3 |
9783 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
4 |
18750 |
60.0 |
1.2 |
0.849 |
1 |
1 |
0 |
0.000 |
30 |
46 |
|
C |
7 |
4 |
18754 |
◊ |
[MPD]A:1702 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
279 |
59.9 |
-3.1 |
0.691 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
C |
5 |
2 |
18754 |
◊ |
E |
x-1,y,z |
1_455 |
6 |
1 |
18718 |
50.3 |
-0.6 |
0.366 |
0 |
0 |
0 |
0.000 |
32 |
48 |
|
[MPD]E:1713 |
3 |
1 |
276 |
◊ |
F |
x,y,z |
1_555 |
6 |
1 |
9781 |
45.9 |
-2.5 |
0.747 |
0 |
0 |
0 |
0.020 |
33 |
49 |
|
[MPD]E:1713 |
4 |
1 |
276 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
9783 |
30.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.004 |
34 |
50 |
|
[FES]E:501 |
3 |
1 |
237 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
18754 |
24.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
51 |
|
[FES]A:501 |
3 |
1 |
236 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
18718 |
23.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
52 |
|
[FES]C:501 |
3 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
18750 |
23.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
23.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
35 |
53 |
|
[MPD]A:1709 |
2 |
1 |
279 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
9781 |
21.4 |
-1.2 |
0.709 |
0 |
0 |
0 |
0.010 |
36 |
54 |
|
[MPD]C:1701 |
3 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9762 |
18.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
37 |
55 |
|
[MPD]A:1700 |
4 |
1 |
278 |
f |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.026 |
56 |
|
[MPD]E:1708 |
4 |
1 |
279 |
f |
[FE]E:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.026 |
57 |
|
[MPD]C:1704 |
4 |
1 |
284 |
f |
[FE]C:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
17.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.026 |
38 |
58 |
|
[MPD]E:1705 |
1 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9783 |
15.4 |
-0.9 |
0.682 |
0 |
0 |
0 |
0.009 |
39 |
59 |
|
[MPD]A:1703 |
1 |
1 |
281 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9783 |
14.5 |
-0.9 |
0.334 |
0 |
0 |
0 |
0.003 |
60 |
|
[MPD]E:1711 |
1 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9762 |
12.8 |
-0.8 |
0.346 |
0 |
0 |
0 |
0.003 |
Average: |
13.7 |
-0.9 |
0.340 |
0 |
0 |
0 |
0.003 |
40 |
61 |
|
[MPD]C:1707 |
1 |
1 |
280 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
9781 |
14.0 |
-0.9 |
0.337 |
0 |
0 |
0 |
0.002 |
41 |
62 |
|
A |
2 |
1 |
18750 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
18718 |
5.9 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
42 |
63 |
|
C |
2 |
1 |
18754 |
◊ |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
18718 |
5.9 |
-0.2 |
0.418 |
0 |
0 |
0 |
0.000 |
43 |
64 |
|
[FE]E:502 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18750 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
65 |
|
[FE]C:502 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
18718 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
66 |
|
[FE]A:502 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18754 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
1.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
|