## |
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 |
137 |
43 |
15700 |
◊ |
C |
x,y,z |
1_555 |
135 |
40 |
16432 |
1349.0 |
-9.9 |
0.633 |
12 |
7 |
0 |
0.172 |
2 |
|
B |
137 |
43 |
16759 |
◊ |
A |
x,y,z |
1_555 |
134 |
37 |
16475 |
1319.5 |
-7.4 |
0.629 |
16 |
6 |
0 |
0.172 |
Average: |
1334.2 |
-8.6 |
0.631 |
14 |
7 |
0 |
0.172 |
2 |
3 |
|
D |
111 |
37 |
15700 |
◊ |
A |
x,y,z |
1_555 |
109 |
39 |
16475 |
1032.5 |
-5.8 |
0.682 |
3 |
3 |
0 |
0.000 |
3 |
4 |
|
[GDP]C:1001 |
27 |
1 |
569 |
f |
C |
x,y,z |
1_555 |
66 |
25 |
16432 |
343.1 |
-6.9 |
0.626 |
11 |
0 |
0 |
0.124 |
4 |
5 |
|
[GDP]A:1001 |
27 |
1 |
570 |
f |
A |
x,y,z |
1_555 |
66 |
25 |
16475 |
338.7 |
-6.7 |
0.578 |
11 |
0 |
0 |
0.244 |
6 |
|
[GDP]D:1001 |
27 |
1 |
572 |
f |
D |
x,y,z |
1_555 |
64 |
25 |
15700 |
337.2 |
-6.6 |
0.586 |
11 |
0 |
0 |
0.244 |
7 |
|
[GDP]B:1001 |
27 |
1 |
570 |
f |
B |
x,y,z |
1_555 |
63 |
26 |
16759 |
335.1 |
-6.5 |
0.572 |
10 |
0 |
0 |
0.244 |
Average: |
337.0 |
-6.6 |
0.579 |
11 |
0 |
0 |
0.244 |
5 |
8 |
|
D |
29 |
11 |
15700 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
6 |
16759 |
221.0 |
0.5 |
0.801 |
0 |
3 |
0 |
0.000 |
6 |
9 |
|
C |
24 |
9 |
16432 |
◊ |
B |
x,y,z-1 |
1_554 |
25 |
12 |
16759 |
208.0 |
-2.1 |
0.508 |
1 |
1 |
0 |
0.000 |
7 |
10 |
|
C |
18 |
5 |
16432 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
21 |
6 |
16475 |
204.9 |
-2.0 |
0.465 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
C |
19 |
6 |
16432 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
12 |
16475 |
201.0 |
-1.8 |
0.538 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[ALF]C:1002 |
5 |
1 |
209 |
f |
C |
x,y,z |
1_555 |
26 |
13 |
16432 |
90.4 |
1.9 |
0.756 |
7 |
0 |
0 |
0.034 |
13 |
|
[ALF]B:1002 |
5 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
16759 |
89.8 |
2.0 |
0.715 |
7 |
0 |
0 |
0.034 |
14 |
|
[ALF]A:1002 |
5 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
16475 |
88.3 |
2.0 |
0.721 |
8 |
0 |
0 |
0.034 |
15 |
|
[ALF]D:1002 |
5 |
1 |
210 |
f |
D |
x,y,z |
1_555 |
26 |
13 |
15700 |
87.9 |
2.0 |
0.727 |
9 |
0 |
0 |
0.034 |
Average: |
89.1 |
2.0 |
0.730 |
8 |
0 |
0 |
0.034 |
10 |
16 |
|
B |
7 |
3 |
16759 |
◊ |
C |
x-1,y,z+1 |
1_456 |
11 |
5 |
16432 |
64.5 |
-0.6 |
0.557 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
7 |
3 |
16759 |
◊ |
D |
x-1,y,z+1 |
1_456 |
9 |
3 |
15700 |
56.7 |
-0.1 |
0.640 |
0 |
1 |
0 |
0.000 |
12 |
18 |
|
A |
7 |
3 |
16475 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
1 |
16759 |
54.1 |
-0.8 |
0.412 |
0 |
0 |
0 |
0.000 |
19 |
|
C |
6 |
1 |
16432 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
2 |
15700 |
48.9 |
-0.7 |
0.466 |
0 |
0 |
0 |
0.000 |
Average: |
51.5 |
-0.8 |
0.439 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
D |
4 |
3 |
15700 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
16475 |
46.8 |
0.3 |
0.615 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
D |
11 |
6 |
15700 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16759 |
46.0 |
0.3 |
0.736 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
3 |
2 |
16432 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16475 |
21.5 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
Average: |
33.8 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[GDP]D:1001 |
5 |
1 |
572 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
16432 |
44.5 |
0.2 |
0.763 |
1 |
0 |
0 |
0.003 |
24 |
|
[GDP]B:1001 |
6 |
1 |
570 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
16475 |
41.3 |
0.3 |
0.777 |
1 |
0 |
0 |
0.003 |
25 |
|
[GDP]A:1001 |
5 |
1 |
570 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
16759 |
38.7 |
0.1 |
0.751 |
0 |
0 |
0 |
0.003 |
26 |
|
[GDP]C:1001 |
5 |
1 |
569 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
15700 |
38.3 |
0.5 |
0.791 |
1 |
0 |
0 |
0.003 |
Average: |
40.7 |
0.3 |
0.770 |
1 |
0 |
0 |
0.003 |
16 |
27 |
|
[ALF]A:1002 |
5 |
1 |
209 |
cf |
[GDP]A:1001 |
x,y,z |
1_555 |
5 |
1 |
570 |
44.0 |
-2.3 |
0.103 |
1 |
0 |
0 |
0.059 |
28 |
|
[ALF]B:1002 |
5 |
1 |
210 |
cf |
[GDP]B:1001 |
x,y,z |
1_555 |
5 |
1 |
570 |
43.5 |
-2.3 |
0.102 |
1 |
0 |
0 |
0.059 |
29 |
|
[ALF]D:1002 |
5 |
1 |
210 |
cf |
[GDP]D:1001 |
x,y,z |
1_555 |
5 |
1 |
572 |
42.7 |
-2.2 |
0.108 |
1 |
0 |
0 |
0.059 |
30 |
|
[ALF]C:1002 |
5 |
1 |
209 |
f |
[GDP]C:1001 |
x,y,z |
1_555 |
6 |
1 |
569 |
42.1 |
-2.2 |
0.121 |
1 |
0 |
0 |
0.059 |
Average: |
43.0 |
-2.2 |
0.109 |
1 |
0 |
0 |
0.059 |
17 |
31 |
|
[NA]A:1004 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
16475 |
40.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.132 |
32 |
|
[NA]D:1004 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
15700 |
40.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.132 |
33 |
|
[NA]B:1004 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
16759 |
40.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.132 |
34 |
|
[NA]C:1004 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
16432 |
40.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
40.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.132 |
18 |
35 |
|
[MG]C:1003 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
16432 |
34.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.107 |
36 |
|
[MG]B:1003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
16759 |
33.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.107 |
37 |
|
[MG]D:1003 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
15700 |
33.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.107 |
38 |
|
[MG]A:1003 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
16475 |
33.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
33.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.107 |
19 |
39 |
|
[NA]D:1004 |
1 |
1 |
125 |
f |
[GDP]D:1001 |
x,y,z |
1_555 |
4 |
1 |
572 |
28.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.075 |
40 |
|
[NA]A:1004 |
1 |
1 |
125 |
f |
[GDP]A:1001 |
x,y,z |
1_555 |
3 |
1 |
570 |
28.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.075 |
41 |
|
[NA]B:1004 |
1 |
1 |
125 |
f |
[GDP]B:1001 |
x,y,z |
1_555 |
3 |
1 |
570 |
28.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.075 |
42 |
|
[NA]C:1004 |
1 |
1 |
125 |
f |
[GDP]C:1001 |
x,y,z |
1_555 |
3 |
1 |
569 |
26.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
27.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.075 |
20 |
43 |
|
[NA]A:1004 |
1 |
1 |
125 |
f |
[ALF]A:1002 |
x,y,z |
1_555 |
3 |
1 |
209 |
25.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.051 |
44 |
|
[NA]D:1004 |
1 |
1 |
125 |
f |
[ALF]D:1002 |
x,y,z |
1_555 |
3 |
1 |
210 |
25.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.051 |
45 |
|
[NA]B:1004 |
1 |
1 |
125 |
f |
[ALF]B:1002 |
x,y,z |
1_555 |
3 |
1 |
210 |
25.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.051 |
46 |
|
[NA]C:1004 |
1 |
1 |
125 |
f |
[ALF]C:1002 |
x,y,z |
1_555 |
3 |
1 |
209 |
25.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
25.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.051 |
21 |
47 |
|
[MG]C:1003 |
1 |
1 |
98 |
f |
[GDP]C:1001 |
x,y,z |
1_555 |
5 |
1 |
569 |
24.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.078 |
48 |
|
[MG]A:1003 |
1 |
1 |
98 |
f |
[GDP]A:1001 |
x,y,z |
1_555 |
4 |
1 |
570 |
24.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.078 |
49 |
|
[MG]B:1003 |
1 |
1 |
98 |
f |
[GDP]B:1001 |
x,y,z |
1_555 |
4 |
1 |
570 |
24.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.078 |
50 |
|
[MG]D:1003 |
1 |
1 |
98 |
f |
[GDP]D:1001 |
x,y,z |
1_555 |
4 |
1 |
572 |
23.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
24.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.078 |
22 |
51 |
|
[MG]D:1003 |
1 |
1 |
98 |
f |
[ALF]D:1002 |
x,y,z |
1_555 |
3 |
1 |
210 |
21.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.041 |
52 |
|
[MG]B:1003 |
1 |
1 |
98 |
f |
[ALF]B:1002 |
x,y,z |
1_555 |
3 |
1 |
210 |
21.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.041 |
53 |
|
[MG]A:1003 |
1 |
1 |
98 |
f |
[ALF]A:1002 |
x,y,z |
1_555 |
3 |
1 |
209 |
21.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.041 |
54 |
|
[MG]C:1003 |
1 |
1 |
98 |
f |
[ALF]C:1002 |
x,y,z |
1_555 |
3 |
1 |
209 |
21.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
21.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.041 |
23 |
55 |
|
[NA]C:1004 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15700 |
12.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
56 |
|
[NA]B:1004 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16475 |
12.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
57 |
|
[NA]D:1004 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16432 |
11.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
58 |
|
[NA]A:1004 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16759 |
10.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
11.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
24 |
59 |
|
B |
2 |
1 |
16759 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
15700 |
12.3 |
-0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
25 |
60 |
|
[ALF]C:1002 |
1 |
1 |
209 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15700 |
7.5 |
0.2 |
0.410 |
0 |
0 |
0 |
0.000 |
61 |
|
[ALF]B:1002 |
1 |
1 |
210 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16475 |
6.6 |
0.2 |
0.414 |
0 |
0 |
0 |
0.000 |
62 |
|
[ALF]D:1002 |
1 |
1 |
210 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16432 |
4.5 |
0.2 |
0.411 |
0 |
0 |
0 |
0.000 |
63 |
|
[ALF]A:1002 |
1 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16759 |
2.4 |
0.1 |
0.399 |
0 |
0 |
0 |
0.000 |
Average: |
5.3 |
0.2 |
0.409 |
0 |
0 |
0 |
0.000 |
26 |
64 |
|
C |
2 |
2 |
16432 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
16759 |
5.2 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
27 |
65 |
|
C |
1 |
1 |
16432 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
16475 |
2.8 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
28 |
66 |
|
B |
1 |
1 |
16759 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
16475 |
2.0 |
0.0 |
0.747 |
0 |
0 |
0 |
0.000 |
29 |
67 |
|
[NA]B:1004 |
1 |
1 |
125 |
f |
[MG]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
30 |
68 |
|
[NA]C:1004 |
1 |
1 |
125 |
f |
[MG]C:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
31 |
69 |
|
[NA]D:1004 |
1 |
1 |
125 |
f |
[MG]D:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
32 |
70 |
|
[NA]A:1004 |
1 |
1 |
125 |
f |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
|