| ## |
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 |
|
C |
82 |
24 |
13760 |
◊ |
B |
x,y,z |
1_555 |
84 |
24 |
13900 |
939.4 |
-20.2 |
0.000 |
5 |
0 |
0 |
0.299 |
2 |
|
D |
87 |
25 |
13760 |
◊ |
A |
x,y,z |
1_555 |
85 |
24 |
13799 |
929.8 |
-20.1 |
0.000 |
4 |
0 |
0 |
0.299 |
| Average: |
934.6 |
-20.1 |
0.000 |
5 |
0 |
0 |
0.299 |
| 2 |
3 |
|
D |
77 |
20 |
13760 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
76 |
20 |
13760 |
754.8 |
-2.9 |
0.371 |
8 |
2 |
0 |
0.000 |
4 |
|
C |
77 |
19 |
13760 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
77 |
19 |
13760 |
754.4 |
-5.4 |
0.257 |
2 |
2 |
0 |
0.000 |
| Average: |
754.6 |
-4.1 |
0.314 |
5 |
2 |
0 |
0.000 |
| 3 |
5 |
|
A |
51 |
16 |
13799 |
◊ |
C |
x,y,z-1 |
1_554 |
50 |
17 |
13760 |
497.9 |
0.5 |
0.650 |
7 |
6 |
0 |
0.000 |
| 4 |
6 |
|
A |
50 |
18 |
13799 |
◊ |
B |
-x,y-1,-z+1 |
2_546 |
53 |
17 |
13900 |
457.4 |
-4.7 |
0.185 |
2 |
1 |
0 |
0.000 |
7 |
|
B |
42 |
15 |
13900 |
◊ |
A |
-x,y,-z+1 |
2_556 |
47 |
15 |
13799 |
419.4 |
-1.8 |
0.288 |
3 |
0 |
0 |
0.000 |
| Average: |
438.4 |
-3.3 |
0.237 |
3 |
1 |
0 |
0.000 |
| 5 |
8 |
|
D |
38 |
14 |
13760 |
◊ |
C |
-x+1,y-1,-z+2 |
2_647 |
33 |
11 |
13760 |
313.5 |
1.3 |
0.708 |
3 |
1 |
0 |
0.000 |
| 6 |
9 |
|
B |
32 |
8 |
13900 |
◊ |
B |
-x,y,-z+2 |
2_557 |
32 |
8 |
13900 |
273.0 |
-0.1 |
0.574 |
0 |
2 |
0 |
0.000 |
| 7 |
10 |
|
[PRP]A:601 |
21 |
1 |
438 |
f |
A |
x,y,z |
1_555 |
47 |
23 |
13799 |
266.3 |
-8.3 |
0.637 |
10 |
0 |
0 |
0.332 |
11 |
|
[PRP]B:602 |
21 |
1 |
442 |
f |
B |
x,y,z |
1_555 |
45 |
22 |
13900 |
264.5 |
-8.3 |
0.628 |
9 |
0 |
0 |
0.332 |
12 |
|
[PRP]C:603 |
21 |
1 |
442 |
f |
C |
x,y,z |
1_555 |
44 |
21 |
13760 |
263.6 |
-8.5 |
0.629 |
9 |
0 |
0 |
0.332 |
| Average: |
264.8 |
-8.4 |
0.631 |
9 |
0 |
0 |
0.332 |
| 8 |
13 |
|
[PRP]D:604 |
21 |
1 |
442 |
f |
D |
x,y,z |
1_555 |
46 |
21 |
13760 |
265.7 |
-8.4 |
0.606 |
10 |
0 |
0 |
0.173 |
| 9 |
14 |
|
D |
35 |
16 |
13760 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
34 |
11 |
13760 |
256.1 |
-0.6 |
0.497 |
2 |
1 |
0 |
0.000 |
| 10 |
15 |
|
D |
29 |
9 |
13760 |
◊ |
B |
-x,y-1,-z+1 |
2_546 |
28 |
10 |
13900 |
219.8 |
3.7 |
0.859 |
4 |
2 |
0 |
0.000 |
| 11 |
16 |
|
[BE2]B:803 |
10 |
1 |
283 |
◊ |
B |
x,y,z |
1_555 |
28 |
13 |
13900 |
193.9 |
5.5 |
0.443 |
1 |
0 |
0 |
0.000 |
17 |
|
[BE2]D:808 |
10 |
1 |
283 |
◊ |
D |
x,y,z |
1_555 |
29 |
13 |
13760 |
188.9 |
5.3 |
0.433 |
2 |
0 |
0 |
0.000 |
| Average: |
191.4 |
5.4 |
0.438 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[BE2]A:806 |
10 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
13799 |
193.2 |
5.4 |
0.440 |
1 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[BE2]C:801 |
10 |
1 |
283 |
f |
C |
x,y,z |
1_555 |
28 |
13 |
13760 |
189.2 |
5.1 |
0.451 |
2 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[BE2]C:804 |
10 |
1 |
284 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
13760 |
167.7 |
4.1 |
0.375 |
3 |
0 |
0 |
0.000 |
21 |
|
[BE2]D:807 |
10 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
28 |
14 |
13760 |
161.8 |
4.1 |
0.326 |
3 |
0 |
0 |
0.000 |
22 |
|
[BE2]A:802 |
10 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
13799 |
156.8 |
4.3 |
0.327 |
3 |
0 |
0 |
0.000 |
| Average: |
162.1 |
4.2 |
0.343 |
3 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[BE2]B:805 |
10 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
29 |
14 |
13900 |
159.4 |
4.3 |
0.319 |
3 |
0 |
0 |
0.000 |
| 16 |
24 |
|
C |
16 |
6 |
13760 |
◊ |
A |
-x,y,-z+1 |
2_556 |
17 |
8 |
13799 |
119.8 |
1.5 |
0.782 |
3 |
0 |
0 |
0.000 |
| 17 |
25 |
|
D |
23 |
14 |
13760 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
9 |
13900 |
114.8 |
1.4 |
0.743 |
1 |
0 |
0 |
0.000 |
| 18 |
26 |
|
C |
17 |
7 |
13760 |
◊ |
B |
-x+1,y-1,-z+2 |
2_647 |
14 |
4 |
13900 |
114.2 |
-0.0 |
0.575 |
1 |
1 |
0 |
0.000 |
27 |
|
D |
20 |
8 |
13760 |
◊ |
A |
-x+1,y-1,-z+1 |
2_646 |
13 |
4 |
13799 |
111.9 |
0.6 |
0.650 |
1 |
1 |
0 |
0.000 |
| Average: |
113.0 |
0.3 |
0.612 |
1 |
1 |
0 |
0.000 |
| 19 |
28 |
|
D |
5 |
3 |
13760 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
5 |
13799 |
46.6 |
1.3 |
0.837 |
1 |
0 |
0 |
0.000 |
29 |
|
C |
4 |
2 |
13760 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
2 |
13900 |
37.3 |
0.8 |
0.792 |
0 |
0 |
0 |
0.000 |
| Average: |
41.9 |
1.0 |
0.815 |
1 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[BE2]C:804 |
5 |
1 |
284 |
f |
[BE2]C:801 |
x,y,z |
1_555 |
8 |
1 |
283 |
45.8 |
2.1 |
0.010 |
0 |
0 |
0 |
0.000 |
31 |
|
[BE2]A:806 |
9 |
1 |
282 |
f |
[BE2]A:802 |
x,y,z |
1_555 |
5 |
1 |
283 |
45.5 |
1.9 |
0.005 |
0 |
0 |
0 |
0.000 |
| Average: |
45.7 |
2.0 |
0.007 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[BE2]D:808 |
9 |
1 |
283 |
◊ |
[BE2]D:807 |
x,y,z |
1_555 |
6 |
1 |
279 |
45.6 |
1.9 |
0.003 |
1 |
0 |
0 |
0.000 |
33 |
|
[BE2]B:805 |
6 |
1 |
282 |
◊ |
[BE2]B:803 |
x,y,z |
1_555 |
9 |
1 |
283 |
44.8 |
1.7 |
0.002 |
0 |
0 |
0 |
0.000 |
| Average: |
45.2 |
1.8 |
0.003 |
1 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13799 |
32.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.103 |
35 |
|
[MG]D:707 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
13760 |
31.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.103 |
36 |
|
[MG]C:705 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
13760 |
31.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.103 |
37 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
13900 |
31.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
31.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.103 |
| 23 |
38 |
|
[PRP]C:603 |
7 |
1 |
442 |
f |
[MG]C:706 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.129 |
39 |
|
[PRP]D:604 |
7 |
1 |
442 |
f |
[MG]D:708 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.129 |
40 |
|
[PRP]B:602 |
7 |
1 |
442 |
f |
[MG]B:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.129 |
41 |
|
[PRP]A:601 |
7 |
1 |
438 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.129 |
| Average: |
31.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.129 |
| 24 |
42 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
13799 |
31.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.111 |
43 |
|
[MG]D:708 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
13760 |
31.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.111 |
44 |
|
[MG]C:706 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
13760 |
30.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.111 |
45 |
|
[MG]B:704 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
13900 |
30.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.111 |
| Average: |
31.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.111 |
| 25 |
46 |
|
A |
3 |
2 |
13799 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
13900 |
28.8 |
-0.2 |
0.357 |
0 |
0 |
0 |
0.000 |
| 26 |
47 |
|
[PRP]C:603 |
4 |
1 |
442 |
f |
[MG]C:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.146 |
48 |
|
[PRP]D:604 |
3 |
1 |
442 |
f |
[MG]D:707 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.146 |
49 |
|
[PRP]B:602 |
4 |
1 |
442 |
f |
[MG]B:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.146 |
50 |
|
[PRP]A:601 |
3 |
1 |
438 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.146 |
| Average: |
27.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.146 |
| 27 |
51 |
|
[BE2]C:804 |
4 |
1 |
284 |
f |
[PRP]C:603 |
x,y,z |
1_555 |
4 |
1 |
442 |
26.0 |
-0.5 |
0.149 |
0 |
0 |
0 |
0.011 |
52 |
|
[BE2]A:802 |
4 |
1 |
283 |
f |
[PRP]A:601 |
x,y,z |
1_555 |
4 |
1 |
438 |
24.1 |
-0.4 |
0.122 |
0 |
0 |
0 |
0.011 |
53 |
|
[BE2]D:807 |
4 |
1 |
279 |
f |
[PRP]D:604 |
x,y,z |
1_555 |
4 |
1 |
442 |
23.8 |
-0.5 |
0.146 |
0 |
0 |
0 |
0.011 |
54 |
|
[BE2]B:805 |
4 |
1 |
282 |
f |
[PRP]B:602 |
x,y,z |
1_555 |
4 |
1 |
442 |
23.4 |
-0.3 |
0.146 |
0 |
0 |
0 |
0.011 |
| Average: |
24.3 |
-0.4 |
0.141 |
0 |
0 |
0 |
0.011 |
| 28 |
55 |
|
D |
2 |
1 |
13760 |
◊ |
B |
-x+1,y-1,-z+2 |
2_647 |
2 |
2 |
13900 |
9.2 |
0.2 |
0.736 |
0 |
0 |
0 |
0.000 |
| 29 |
56 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| 30 |
57 |
|
[MG]D:708 |
1 |
1 |
98 |
f |
[MG]D:707 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| 31 |
58 |
|
[MG]B:704 |
1 |
1 |
98 |
f |
[MG]B:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
| 32 |
59 |
|
[MG]C:706 |
1 |
1 |
98 |
f |
[MG]C:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
| 33 |
60 |
|
[BE2]D:808 |
1 |
1 |
283 |
f |
D |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
13760 |
1.1 |
0.1 |
0.277 |
0 |
0 |
0 |
0.000 |
|