## |
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 |
145 |
45 |
10103 |
◊ |
C |
x,y,z |
1_555 |
151 |
46 |
10169 |
1496.7 |
-10.4 |
0.392 |
18 |
12 |
0 |
0.265 |
2 |
|
B |
133 |
45 |
9839 |
◊ |
A |
x,y,z |
1_555 |
139 |
44 |
10556 |
1264.5 |
-12.2 |
0.247 |
12 |
5 |
0 |
0.265 |
Average: |
1380.6 |
-11.3 |
0.320 |
15 |
9 |
0 |
0.265 |
2 |
3 |
|
C |
62 |
15 |
10169 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
56 |
23 |
10103 |
596.0 |
-1.7 |
0.606 |
3 |
2 |
0 |
0.000 |
3 |
4 |
|
C |
48 |
15 |
10169 |
◊ |
B |
x,y,z |
1_555 |
56 |
19 |
9839 |
471.2 |
-7.7 |
0.170 |
3 |
2 |
0 |
0.000 |
4 |
5 |
|
A |
41 |
18 |
10556 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
45 |
13 |
9839 |
427.8 |
1.9 |
0.844 |
5 |
2 |
0 |
0.000 |
5 |
6 |
|
D |
46 |
12 |
10103 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
43 |
13 |
9839 |
425.7 |
-1.5 |
0.492 |
0 |
0 |
0 |
0.000 |
7 |
|
C |
36 |
13 |
10169 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
44 |
12 |
10556 |
368.2 |
-1.1 |
0.585 |
4 |
6 |
0 |
0.000 |
Average: |
397.0 |
-1.3 |
0.539 |
2 |
3 |
0 |
0.000 |
6 |
8 |
|
D |
37 |
13 |
10103 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
40 |
9 |
10169 |
369.1 |
-4.9 |
0.202 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
40 |
10 |
9839 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
37 |
15 |
10556 |
321.4 |
-4.3 |
0.242 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
35 |
11 |
10556 |
x |
A |
-x,y-1/2,-z |
2_545 |
25 |
5 |
10556 |
306.5 |
-0.2 |
0.672 |
10 |
5 |
0 |
0.000 |
11 |
|
D |
8 |
1 |
10103 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
13 |
6 |
10103 |
83.5 |
0.4 |
0.678 |
1 |
0 |
0 |
0.000 |
Average: |
195.0 |
0.1 |
0.675 |
6 |
3 |
0 |
0.000 |
9 |
12 |
|
B |
36 |
13 |
9839 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
8 |
10556 |
295.2 |
-0.4 |
0.678 |
0 |
1 |
0 |
0.000 |
10 |
13 |
|
[APC]C:2200 |
25 |
1 |
640 |
◊ |
D |
x,y,z |
1_555 |
31 |
15 |
10103 |
257.9 |
1.7 |
0.750 |
5 |
0 |
0 |
0.000 |
14 |
|
[APC]D:2200 |
22 |
1 |
617 |
◊ |
C |
x,y,z |
1_555 |
29 |
14 |
10169 |
230.2 |
4.1 |
0.817 |
3 |
0 |
0 |
0.000 |
Average: |
244.1 |
2.9 |
0.784 |
4 |
0 |
0 |
0.000 |
11 |
15 |
|
[APC]B:2200 |
27 |
1 |
668 |
f |
B |
x,y,z |
1_555 |
38 |
14 |
9839 |
242.0 |
-3.5 |
0.492 |
8 |
0 |
0 |
0.176 |
16 |
|
[APC]A:2200 |
29 |
1 |
661 |
f |
A |
x,y,z |
1_555 |
40 |
14 |
10556 |
239.8 |
-3.0 |
0.506 |
9 |
0 |
0 |
0.176 |
Average: |
240.9 |
-3.2 |
0.499 |
9 |
0 |
0 |
0.176 |
12 |
17 |
|
[APC]D:2200 |
24 |
1 |
617 |
f |
D |
x,y,z |
1_555 |
28 |
14 |
10103 |
227.3 |
-3.9 |
0.412 |
4 |
0 |
0 |
0.075 |
13 |
18 |
|
[APC]C:2200 |
24 |
1 |
640 |
f |
C |
x,y,z |
1_555 |
28 |
13 |
10169 |
225.9 |
-3.9 |
0.456 |
4 |
0 |
0 |
0.074 |
14 |
19 |
|
[APC]A:2200 |
20 |
1 |
661 |
◊ |
B |
x,y,z |
1_555 |
32 |
13 |
9839 |
194.7 |
-0.1 |
0.538 |
4 |
0 |
0 |
0.044 |
20 |
|
[APC]B:2200 |
20 |
1 |
668 |
◊ |
A |
x,y,z |
1_555 |
32 |
14 |
10556 |
194.4 |
0.1 |
0.555 |
4 |
0 |
0 |
0.044 |
Average: |
194.6 |
0.0 |
0.547 |
4 |
0 |
0 |
0.044 |
15 |
21 |
|
[ECS]A:2203 |
19 |
1 |
459 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
10556 |
182.3 |
1.7 |
0.626 |
4 |
0 |
0 |
0.000 |
22 |
|
[ECS]B:2203 |
19 |
1 |
457 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
9839 |
179.5 |
1.4 |
0.626 |
3 |
0 |
0 |
0.000 |
Average: |
180.9 |
1.6 |
0.626 |
4 |
0 |
0 |
0.000 |
16 |
23 |
|
D |
9 |
3 |
10103 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
10556 |
91.4 |
0.1 |
0.661 |
1 |
0 |
0 |
0.000 |
17 |
24 |
|
C |
10 |
2 |
10169 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
3 |
10556 |
89.0 |
0.9 |
0.766 |
1 |
1 |
0 |
0.000 |
18 |
25 |
|
D |
12 |
4 |
10103 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
9839 |
87.5 |
-0.7 |
0.420 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[ECS]B:2203 |
16 |
1 |
457 |
◊ |
[ECS]A:2203 |
x,y,z |
1_555 |
16 |
1 |
459 |
84.4 |
1.7 |
0.488 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[ECS]A:2203 |
7 |
1 |
459 |
◊ |
[APC]B:2200 |
x,y,z |
1_555 |
14 |
1 |
668 |
70.1 |
0.0 |
0.311 |
0 |
0 |
0 |
0.000 |
28 |
|
[ECS]B:2203 |
7 |
1 |
457 |
◊ |
[APC]A:2200 |
x,y,z |
1_555 |
11 |
1 |
661 |
62.7 |
0.3 |
0.320 |
0 |
0 |
0 |
0.000 |
Average: |
66.4 |
0.2 |
0.315 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
C |
7 |
2 |
10169 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
10556 |
42.9 |
0.5 |
0.742 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[ECS]B:2203 |
6 |
1 |
457 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
10556 |
42.7 |
-0.2 |
0.418 |
0 |
0 |
0 |
0.004 |
31 |
|
[ECS]A:2203 |
5 |
1 |
459 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
9839 |
39.9 |
-0.2 |
0.436 |
0 |
0 |
0 |
0.004 |
Average: |
41.3 |
-0.2 |
0.427 |
0 |
0 |
0 |
0.004 |
23 |
32 |
|
D |
7 |
4 |
10103 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
10103 |
41.7 |
0.5 |
0.733 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
D |
4 |
1 |
10103 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
9839 |
41.6 |
-0.4 |
0.198 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[MG]C:2201 |
1 |
1 |
98 |
f |
[APC]C:2200 |
x,y,z |
1_555 |
6 |
1 |
640 |
38.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.137 |
35 |
|
[MG]D:2201 |
1 |
1 |
98 |
f |
[APC]D:2200 |
x,y,z |
1_555 |
4 |
1 |
617 |
36.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
37.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.137 |
26 |
36 |
|
[MG]D:2201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
10103 |
36.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.099 |
37 |
|
[MG]C:2201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
10169 |
35.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.099 |
38 |
|
[MG]A:2201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
10556 |
23.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.099 |
39 |
|
[MG]B:2201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9839 |
23.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
29.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.099 |
27 |
40 |
|
[ECS]B:2203 |
2 |
1 |
457 |
f |
[APC]B:2200 |
x,y,z |
1_555 |
4 |
1 |
668 |
31.2 |
0.5 |
0.585 |
1 |
0 |
0 |
0.000 |
41 |
|
[ECS]A:2203 |
2 |
1 |
459 |
f |
[APC]A:2200 |
x,y,z |
1_555 |
3 |
1 |
661 |
30.7 |
0.6 |
0.600 |
1 |
0 |
0 |
0.000 |
Average: |
30.9 |
0.6 |
0.592 |
1 |
0 |
0 |
0.000 |
28 |
42 |
|
[CA]C:2202 |
1 |
1 |
85 |
f |
[APC]C:2200 |
x,y,z |
1_555 |
5 |
1 |
640 |
28.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.154 |
43 |
|
[CA]D:2202 |
1 |
1 |
85 |
f |
[APC]D:2200 |
x,y,z |
1_555 |
4 |
1 |
617 |
27.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.154 |
Average: |
28.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.154 |
29 |
44 |
|
[CA]C:2202 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
10169 |
28.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.167 |
45 |
|
[CA]D:2202 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
10103 |
27.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.167 |
46 |
|
[CA]A:2202 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10556 |
24.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.167 |
47 |
|
[CA]B:2202 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
9839 |
24.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.167 |
Average: |
26.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.167 |
30 |
48 |
|
[MG]A:2201 |
1 |
1 |
98 |
f |
[APC]A:2200 |
x,y,z |
1_555 |
5 |
1 |
661 |
27.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.078 |
49 |
|
[MG]B:2201 |
1 |
1 |
98 |
f |
[APC]B:2200 |
x,y,z |
1_555 |
5 |
1 |
668 |
27.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
27.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.078 |
31 |
50 |
|
[CA]B:2202 |
1 |
1 |
85 |
f |
[APC]B:2200 |
x,y,z |
1_555 |
3 |
1 |
668 |
25.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.129 |
51 |
|
[CA]A:2202 |
1 |
1 |
85 |
f |
[APC]A:2200 |
x,y,z |
1_555 |
4 |
1 |
661 |
24.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
25.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.129 |
32 |
52 |
|
[ECS]A:2203 |
4 |
1 |
459 |
f |
[MG]A:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.055 |
53 |
|
[ECS]B:2203 |
4 |
1 |
457 |
f |
[MG]B:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
23.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.055 |
33 |
54 |
|
C |
3 |
3 |
10169 |
x |
C |
x-1,y,z |
1_455 |
2 |
1 |
10169 |
20.6 |
0.4 |
0.781 |
0 |
0 |
0 |
0.000 |
34 |
55 |
|
[APC]A:2200 |
2 |
1 |
661 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
2 |
9839 |
12.0 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
35 |
56 |
|
[ECS]A:2203 |
3 |
1 |
459 |
◊ |
[MG]B:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
57 |
|
[ECS]B:2203 |
3 |
1 |
457 |
◊ |
[MG]A:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
10.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
36 |
58 |
|
C |
4 |
3 |
10169 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
10103 |
9.6 |
-0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
[CA]B:2202 |
1 |
1 |
85 |
f |
[MG]B:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.029 |
38 |
60 |
|
[CA]D:2202 |
1 |
1 |
85 |
f |
[MG]D:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.027 |
39 |
61 |
|
[CA]C:2202 |
1 |
1 |
85 |
f |
[MG]C:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.026 |
40 |
62 |
|
[CA]A:2202 |
1 |
1 |
85 |
f |
[MG]A:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.026 |
41 |
63 |
|
[ECS]B:2203 |
2 |
1 |
457 |
f |
[CA]B:2202 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
64 |
|
[ECS]A:2203 |
1 |
1 |
459 |
f |
[CA]A:2202 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
7.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.022 |
42 |
65 |
|
C |
2 |
1 |
10169 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
10169 |
6.4 |
0.3 |
0.774 |
0 |
0 |
0 |
0.000 |
43 |
66 |
|
C |
1 |
1 |
10169 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
9839 |
4.4 |
0.3 |
0.786 |
0 |
0 |
0 |
0.000 |
44 |
67 |
|
[APC]D:2200 |
1 |
1 |
617 |
◊ |
[APC]C:2200 |
x,y,z |
1_555 |
1 |
1 |
640 |
3.6 |
-0.4 |
0.306 |
0 |
0 |
0 |
0.005 |
45 |
68 |
|
C |
2 |
1 |
10169 |
◊ |
[APC]D:2200 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
617 |
1.8 |
-0.0 |
0.514 |
0 |
0 |
0 |
0.000 |
|