| ## |
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 |
168 |
46 |
14745 |
◊ |
B |
x,y,z |
1_555 |
170 |
47 |
14677 |
1611.8 |
-9.1 |
0.248 |
36 |
24 |
0 |
0.311 |
2 |
|
C |
168 |
46 |
14666 |
◊ |
A |
x,y,z |
1_555 |
169 |
46 |
14743 |
1608.0 |
-8.3 |
0.293 |
37 |
24 |
0 |
0.311 |
| Average: |
1609.9 |
-8.7 |
0.270 |
37 |
24 |
0 |
0.311 |
| 2 |
3 |
|
D |
169 |
38 |
14745 |
◊ |
C |
x,y,z |
1_555 |
169 |
38 |
14666 |
1608.4 |
-7.0 |
0.342 |
28 |
24 |
0 |
0.265 |
4 |
|
B |
167 |
38 |
14677 |
◊ |
A |
x,y,z |
1_555 |
167 |
40 |
14743 |
1591.8 |
-7.7 |
0.300 |
26 |
24 |
0 |
0.265 |
| Average: |
1600.1 |
-7.3 |
0.321 |
27 |
24 |
0 |
0.265 |
| 3 |
5 |
|
D |
63 |
14 |
14745 |
◊ |
A |
x,y,z |
1_555 |
62 |
14 |
14743 |
496.9 |
-7.3 |
0.089 |
2 |
0 |
0 |
0.066 |
6 |
|
C |
65 |
14 |
14666 |
◊ |
B |
x,y,z |
1_555 |
64 |
14 |
14677 |
496.5 |
-7.7 |
0.073 |
2 |
0 |
0 |
0.066 |
| Average: |
496.7 |
-7.5 |
0.081 |
2 |
0 |
0 |
0.066 |
| 4 |
7 |
|
B |
45 |
13 |
14677 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
44 |
12 |
14743 |
389.4 |
-2.0 |
0.423 |
4 |
4 |
0 |
0.055 |
| 5 |
8 |
|
D |
34 |
10 |
14745 |
◊ |
C |
-x,-y+1,z |
2_565 |
28 |
13 |
14666 |
217.5 |
-0.2 |
0.586 |
0 |
1 |
0 |
0.000 |
| 6 |
9 |
|
A |
18 |
6 |
14743 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
17 |
6 |
14677 |
163.5 |
0.7 |
0.703 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
A |
21 |
8 |
14743 |
◊ |
D |
-x-1/2,y-1/2,-z |
3_445 |
9 |
3 |
14745 |
131.9 |
0.4 |
0.670 |
1 |
1 |
0 |
0.000 |
| 8 |
11 |
|
[GOL]D:810 |
6 |
1 |
212 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
14745 |
109.0 |
-1.2 |
0.436 |
6 |
0 |
0 |
0.043 |
| 9 |
12 |
|
[GOL]C:808 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
14666 |
108.4 |
-0.4 |
0.498 |
4 |
0 |
0 |
0.040 |
13 |
|
[GOL]B:801 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
14677 |
107.4 |
-0.4 |
0.513 |
4 |
0 |
0 |
0.040 |
14 |
|
[GOL]D:806 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
14745 |
106.8 |
-0.1 |
0.562 |
3 |
0 |
0 |
0.040 |
| Average: |
107.5 |
-0.3 |
0.524 |
4 |
0 |
0 |
0.040 |
| 10 |
15 |
|
[GOL]A:802 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
14743 |
107.4 |
-0.4 |
0.500 |
3 |
0 |
0 |
0.022 |
| 11 |
16 |
|
[GOL]D:811 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
14745 |
105.4 |
-1.4 |
0.341 |
2 |
0 |
0 |
0.025 |
| 12 |
17 |
|
[GOL]B:809 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
14677 |
105.4 |
0.5 |
0.667 |
3 |
0 |
0 |
0.010 |
| 13 |
18 |
|
[GOL]B:803 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14677 |
89.9 |
-1.2 |
0.405 |
1 |
0 |
0 |
0.021 |
| 14 |
19 |
|
[GOL]D:804 |
6 |
1 |
213 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
14745 |
87.7 |
-0.6 |
0.465 |
1 |
0 |
0 |
0.011 |
| 15 |
20 |
|
[GOL]A:807 |
6 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14743 |
84.8 |
-1.2 |
0.447 |
0 |
0 |
0 |
0.015 |
| 16 |
21 |
|
[GOL]C:805 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
14666 |
83.4 |
-0.4 |
0.544 |
0 |
0 |
0 |
0.005 |
| 17 |
22 |
|
[FE2]A:500 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
14743 |
76.2 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.407 |
23 |
|
[FE2]D:500 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
14 |
10 |
14745 |
76.0 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.407 |
24 |
|
[FE2]B:500 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
14677 |
75.3 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.407 |
25 |
|
[FE2]C:500 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
14666 |
74.9 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.407 |
| Average: |
75.6 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.407 |
| 18 |
26 |
|
A |
10 |
3 |
14743 |
◊ |
B |
-x-1/2,y-1/2,-z |
3_445 |
4 |
2 |
14677 |
73.6 |
1.3 |
0.857 |
1 |
2 |
0 |
0.000 |
| 19 |
27 |
|
[CL]D:704 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
14745 |
73.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.295 |
28 |
|
[CL]B:702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
14677 |
73.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.295 |
29 |
|
[CL]C:703 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
14666 |
72.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.295 |
30 |
|
[CL]A:701 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
14743 |
72.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.295 |
| Average: |
73.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.295 |
| 20 |
31 |
|
B |
13 |
4 |
14677 |
◊ |
C |
x,y,z-1 |
1_554 |
8 |
4 |
14666 |
67.0 |
-0.6 |
0.266 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[GOL]C:808 |
5 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
14743 |
56.3 |
-0.4 |
0.486 |
1 |
0 |
0 |
0.009 |
33 |
|
[GOL]D:806 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
14677 |
54.8 |
-0.6 |
0.467 |
0 |
0 |
0 |
0.009 |
| Average: |
55.6 |
-0.5 |
0.476 |
1 |
0 |
0 |
0.009 |
| 22 |
34 |
|
[GOL]A:802 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
14666 |
55.9 |
-0.5 |
0.446 |
1 |
0 |
0 |
0.010 |
| 23 |
35 |
|
[GOL]B:801 |
5 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
14745 |
54.0 |
-0.4 |
0.497 |
1 |
0 |
0 |
0.009 |
| 24 |
36 |
|
[CA]B:601 |
1 |
1 |
85 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
4 |
14743 |
35.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.149 |
37 |
|
[CA]B:601 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
14677 |
35.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.149 |
| Average: |
35.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.149 |
| 25 |
38 |
|
D |
4 |
2 |
14745 |
◊ |
B |
-x,-y+1,z |
2_565 |
4 |
2 |
14677 |
29.2 |
0.1 |
0.562 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[GOL]D:806 |
3 |
1 |
218 |
◊ |
[GOL]B:801 |
x,y,z |
1_555 |
3 |
1 |
219 |
24.4 |
-0.6 |
0.430 |
0 |
0 |
0 |
0.006 |
| 27 |
40 |
|
[GOL]C:808 |
4 |
1 |
221 |
◊ |
[GOL]A:802 |
x,y,z |
1_555 |
3 |
1 |
219 |
23.6 |
-0.5 |
0.464 |
0 |
0 |
0 |
0.006 |
| 28 |
41 |
|
[GOL]A:807 |
3 |
1 |
210 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14666 |
18.4 |
0.2 |
0.673 |
0 |
0 |
0 |
0.000 |
| 29 |
42 |
|
[GOL]D:804 |
3 |
1 |
213 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14677 |
17.7 |
0.4 |
0.684 |
0 |
0 |
0 |
0.000 |
43 |
|
[GOL]B:803 |
3 |
1 |
214 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14745 |
16.9 |
0.2 |
0.702 |
0 |
0 |
0 |
0.000 |
| Average: |
17.3 |
0.3 |
0.693 |
0 |
0 |
0 |
0.000 |
| 30 |
44 |
|
[GOL]C:805 |
2 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14743 |
15.3 |
0.4 |
0.823 |
0 |
0 |
0 |
0.000 |
| 31 |
45 |
|
A |
3 |
3 |
14743 |
◊ |
A |
-x,-y,z |
2_555 |
3 |
3 |
14743 |
11.9 |
0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
| 32 |
46 |
|
[GOL]D:810 |
2 |
1 |
212 |
f |
[GOL]D:804 |
x,y,z |
1_555 |
2 |
1 |
213 |
9.0 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 33 |
47 |
|
[GOL]B:803 |
1 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14743 |
0.8 |
-0.0 |
0.456 |
0 |
0 |
0 |
0.000 |
|