## |
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 |
503 |
120 |
19040 |
◊ |
B |
x,y,z |
1_555 |
552 |
136 |
21456 |
5046.9 |
-53.3 |
0.038 |
70 |
13 |
0 |
0.659 |
2 |
|
C |
506 |
122 |
19076 |
◊ |
A |
x,y,z |
1_555 |
556 |
134 |
21579 |
5008.9 |
-52.8 |
0.031 |
66 |
14 |
0 |
0.659 |
Average: |
5027.9 |
-53.1 |
0.035 |
68 |
14 |
0 |
0.659 |
2 |
3 |
|
E |
206 |
51 |
10589 |
◊ |
A |
x,y,z |
1_555 |
235 |
57 |
21579 |
2102.1 |
-12.6 |
0.328 |
34 |
10 |
0 |
0.439 |
4 |
|
F |
206 |
53 |
10597 |
◊ |
B |
x,y,z |
1_555 |
227 |
56 |
21456 |
2075.5 |
-14.4 |
0.283 |
36 |
11 |
0 |
0.439 |
Average: |
2088.8 |
-13.5 |
0.305 |
35 |
11 |
0 |
0.439 |
3 |
5 |
|
D |
199 |
52 |
19040 |
◊ |
C |
x,y,z |
1_555 |
195 |
50 |
19076 |
1836.7 |
-14.2 |
0.410 |
29 |
36 |
0 |
0.516 |
4 |
6 |
|
E |
152 |
41 |
10589 |
◊ |
C |
x,y,z |
1_555 |
170 |
40 |
19076 |
1362.6 |
-12.1 |
0.329 |
18 |
9 |
0 |
0.945 |
7 |
|
F |
148 |
40 |
10597 |
◊ |
D |
x,y,z |
1_555 |
174 |
42 |
19040 |
1343.4 |
-13.8 |
0.208 |
18 |
9 |
0 |
0.945 |
Average: |
1353.0 |
-12.9 |
0.269 |
18 |
9 |
0 |
0.945 |
5 |
8 |
|
B |
62 |
16 |
21456 |
◊ |
A |
x,y,z |
1_555 |
63 |
16 |
21579 |
597.1 |
-5.6 |
0.234 |
11 |
2 |
0 |
0.033 |
6 |
9 |
|
C |
45 |
14 |
19076 |
◊ |
B |
x,y,z |
1_555 |
42 |
11 |
21456 |
405.3 |
1.2 |
0.762 |
5 |
6 |
0 |
0.019 |
10 |
|
D |
46 |
15 |
19040 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
21579 |
399.4 |
-0.3 |
0.635 |
2 |
5 |
0 |
0.019 |
Average: |
402.3 |
0.5 |
0.699 |
4 |
6 |
0 |
0.019 |
7 |
11 |
|
C |
30 |
12 |
19076 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
34 |
12 |
10589 |
334.6 |
3.2 |
0.908 |
6 |
9 |
0 |
0.000 |
8 |
12 |
|
C |
32 |
10 |
19076 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
38 |
10 |
21456 |
285.8 |
0.1 |
0.707 |
3 |
5 |
0 |
0.019 |
9 |
13 |
|
F |
22 |
6 |
10597 |
◊ |
A |
-x+5/2,-y+1,z-1/2 |
2_764 |
20 |
6 |
21579 |
181.8 |
0.2 |
0.668 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
F |
20 |
4 |
10597 |
◊ |
E |
-x+5/2,-y+1,z-1/2 |
2_764 |
20 |
6 |
10589 |
160.4 |
-2.2 |
0.378 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[BRJ]A:3805 |
4 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
21579 |
146.5 |
-2.1 |
0.462 |
2 |
0 |
0 |
0.044 |
12 |
16 |
|
[BRJ]B:3802 |
4 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
21456 |
146.4 |
-2.1 |
0.455 |
1 |
0 |
0 |
0.034 |
13 |
17 |
|
[BRJ]B:3801 |
4 |
1 |
212 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
21456 |
137.2 |
-2.0 |
0.431 |
1 |
0 |
0 |
0.036 |
18 |
|
[BRJ]A:3804 |
4 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
24 |
14 |
21579 |
134.9 |
-2.0 |
0.460 |
1 |
0 |
0 |
0.036 |
Average: |
136.1 |
-2.0 |
0.446 |
1 |
0 |
0 |
0.036 |
14 |
19 |
|
B |
21 |
7 |
21456 |
◊ |
A |
-x+5/2,-y+1,z-1/2 |
2_764 |
13 |
3 |
21579 |
130.9 |
-0.9 |
0.410 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
E |
13 |
4 |
10589 |
x |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
16 |
5 |
10589 |
129.3 |
0.6 |
0.737 |
2 |
0 |
0 |
0.000 |
16 |
21 |
|
[BRJ]B:3809 |
4 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
21456 |
112.1 |
-1.4 |
0.521 |
2 |
0 |
0 |
0.031 |
17 |
22 |
|
[BRJ]A:3806 |
4 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
21579 |
112.1 |
-1.4 |
0.527 |
2 |
0 |
0 |
0.034 |
18 |
23 |
|
[BRJ]A:3803 |
4 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
21579 |
97.1 |
-1.2 |
0.536 |
3 |
0 |
0 |
0.038 |
24 |
|
[BRJ]B:3800 |
4 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
21456 |
96.8 |
-1.4 |
0.486 |
1 |
0 |
0 |
0.038 |
Average: |
96.9 |
-1.3 |
0.511 |
2 |
0 |
0 |
0.038 |
19 |
25 |
|
[BRJ]C:3807 |
4 |
1 |
209 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
19076 |
89.3 |
-0.4 |
0.684 |
2 |
0 |
0 |
0.021 |
20 |
26 |
|
[BRJ]C:3808 |
4 |
1 |
210 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
19040 |
86.4 |
-0.7 |
0.598 |
0 |
0 |
0 |
0.011 |
21 |
27 |
|
[BRJ]C:3810 |
4 |
1 |
212 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
19076 |
85.5 |
-1.2 |
0.463 |
0 |
0 |
0 |
0.026 |
22 |
28 |
|
[BRJ]C:3810 |
4 |
1 |
212 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
19040 |
83.0 |
-1.0 |
0.568 |
0 |
0 |
0 |
0.016 |
23 |
29 |
|
[BRJ]C:3811 |
4 |
1 |
211 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
19040 |
83.0 |
-1.3 |
0.453 |
0 |
0 |
0 |
0.021 |
24 |
30 |
|
[BRJ]C:3811 |
4 |
1 |
211 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
19076 |
81.6 |
-1.2 |
0.500 |
1 |
0 |
0 |
0.036 |
25 |
31 |
|
[BRJ]C:3808 |
4 |
1 |
210 |
f |
C |
x,y,z |
1_555 |
18 |
3 |
19076 |
77.8 |
-1.4 |
0.545 |
0 |
0 |
0 |
0.029 |
26 |
32 |
|
[BRJ]C:3807 |
4 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
19 |
3 |
19040 |
77.1 |
-1.3 |
0.505 |
0 |
0 |
0 |
0.100 |
27 |
33 |
|
A |
9 |
2 |
21579 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
4 |
10589 |
69.2 |
0.2 |
0.507 |
1 |
0 |
0 |
0.000 |
28 |
34 |
|
B |
11 |
4 |
21456 |
◊ |
E |
-x+5/2,-y+1,z-1/2 |
2_764 |
8 |
3 |
10589 |
69.1 |
1.1 |
0.771 |
2 |
0 |
0 |
0.000 |
29 |
35 |
|
[BRJ]B:3809 |
3 |
1 |
210 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
19040 |
59.3 |
-0.5 |
0.521 |
1 |
0 |
0 |
0.007 |
30 |
36 |
|
[BRJ]A:3806 |
3 |
1 |
213 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
19076 |
59.3 |
-0.5 |
0.497 |
1 |
0 |
0 |
0.006 |
31 |
37 |
|
A |
5 |
3 |
21579 |
x |
A |
x-1,y,z |
1_455 |
5 |
2 |
21579 |
50.1 |
2.2 |
0.946 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[FE]A:528 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
21579 |
49.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.127 |
39 |
|
[FE]B:528 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
21456 |
48.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
48.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.127 |
33 |
40 |
|
[FE]A:529 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
21579 |
48.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.129 |
41 |
|
[FE]B:529 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
21456 |
47.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
47.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.129 |
34 |
42 |
|
[CA]C:1218 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
19076 |
40.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.182 |
35 |
43 |
|
[CA]C:1111 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
19076 |
39.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.151 |
36 |
44 |
|
[CA]C:1112 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
19076 |
32.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.112 |
37 |
45 |
|
B |
6 |
3 |
21456 |
f |
[CA]A:1162 |
-x+5/2,-y+1,z-1/2 |
2_764 |
1 |
1 |
85 |
30.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.076 |
38 |
46 |
|
[CA]A:1162 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
21579 |
29.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
[BRJ]A:3803 |
3 |
1 |
210 |
f |
[FE]A:528 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.082 |
48 |
|
[BRJ]B:3800 |
3 |
1 |
211 |
f |
[FE]B:528 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.082 |
49 |
|
[BRJ]A:3803 |
3 |
1 |
210 |
f |
[FE]A:529 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.082 |
50 |
|
[BRJ]B:3800 |
3 |
1 |
211 |
f |
[FE]B:529 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
28.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.082 |
40 |
51 |
|
[FE]B:529 |
1 |
1 |
137 |
f |
[FE]B:528 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.065 |
41 |
52 |
|
[FE]A:529 |
1 |
1 |
137 |
f |
[FE]A:528 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.071 |
42 |
53 |
|
[BRJ]C:3810 |
2 |
1 |
212 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
21456 |
23.0 |
-0.5 |
0.328 |
0 |
0 |
0 |
0.005 |
43 |
54 |
|
[CA]C:1111 |
1 |
1 |
85 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
10589 |
21.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
[BRJ]C:3811 |
1 |
1 |
211 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21579 |
21.3 |
-0.3 |
0.349 |
0 |
0 |
0 |
0.002 |
45 |
56 |
|
[CA]C:1218 |
1 |
1 |
85 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
2 |
21456 |
15.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.019 |
46 |
57 |
|
[CA]A:1162 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
10589 |
13.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
58 |
|
[CA]C:1112 |
1 |
1 |
85 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
2 |
21456 |
12.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.016 |
|