## |
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 |
|
B |
252 |
73 |
14013 |
◊ |
A |
x,y,z |
1_555 |
261 |
73 |
14190 |
2418.3 |
-32.3 |
0.027 |
36 |
10 |
0 |
0.204 |
2 |
2 |
|
[TPP]A:405 |
26 |
1 |
598 |
f |
A |
x,y,z |
1_555 |
57 |
19 |
14190 |
358.2 |
-4.5 |
0.562 |
5 |
0 |
0 |
0.052 |
3 |
|
[TPP]B:401 |
26 |
1 |
595 |
f |
B |
x,y,z |
1_555 |
56 |
19 |
14013 |
357.2 |
-3.8 |
0.670 |
5 |
0 |
0 |
0.052 |
Average: |
357.7 |
-4.2 |
0.616 |
5 |
0 |
0 |
0.052 |
3 |
4 |
|
A |
41 |
10 |
14190 |
◊ |
B |
-x+3,y-1/2,-z+3 |
2_848 |
36 |
11 |
14013 |
351.4 |
1.2 |
0.833 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
30 |
6 |
14190 |
x |
A |
x-1,y,z |
1_455 |
48 |
11 |
14190 |
347.3 |
3.4 |
0.911 |
7 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
40 |
12 |
14190 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
35 |
13 |
14013 |
337.7 |
-0.7 |
0.649 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
[ADP]B:405 |
24 |
1 |
555 |
◊ |
B |
x,y,z |
1_555 |
49 |
16 |
14013 |
261.5 |
-1.4 |
0.768 |
4 |
0 |
0 |
0.027 |
8 |
|
[ADP]A:401 |
26 |
1 |
554 |
◊ |
A |
x,y,z |
1_555 |
48 |
17 |
14190 |
260.8 |
-1.5 |
0.727 |
4 |
0 |
0 |
0.027 |
Average: |
261.2 |
-1.5 |
0.748 |
4 |
0 |
0 |
0.027 |
7 |
9 |
|
A |
18 |
7 |
14190 |
◊ |
B |
x-1,y,z-1 |
1_454 |
24 |
8 |
14013 |
188.0 |
1.3 |
0.824 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
22 |
6 |
14013 |
x |
B |
x-1,y,z |
1_455 |
23 |
6 |
14013 |
184.7 |
-0.4 |
0.656 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
[ADP]A:401 |
10 |
1 |
554 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
14013 |
91.4 |
-2.8 |
0.402 |
2 |
0 |
0 |
0.030 |
12 |
|
[ADP]B:405 |
10 |
1 |
555 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
14190 |
89.0 |
-2.7 |
0.444 |
2 |
0 |
0 |
0.030 |
Average: |
90.2 |
-2.8 |
0.423 |
2 |
0 |
0 |
0.030 |
10 |
13 |
|
[TPP]A:405 |
4 |
1 |
598 |
f |
[ADP]B:405 |
x,y,z |
1_555 |
5 |
1 |
555 |
41.9 |
-4.0 |
0.272 |
0 |
0 |
0 |
0.033 |
14 |
|
[TPP]B:401 |
4 |
1 |
595 |
f |
[ADP]A:401 |
x,y,z |
1_555 |
6 |
1 |
554 |
41.9 |
-3.9 |
0.273 |
0 |
0 |
0 |
0.033 |
Average: |
41.9 |
-4.0 |
0.272 |
0 |
0 |
0 |
0.033 |
11 |
15 |
|
[NA]B:408 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
14013 |
37.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.044 |
16 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
14190 |
37.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
37.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.044 |
12 |
17 |
|
[MG]A:408 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14190 |
32.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.036 |
18 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14013 |
32.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
32.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.036 |
13 |
19 |
|
[TPP]B:401 |
4 |
1 |
595 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
14190 |
31.5 |
-1.7 |
0.456 |
0 |
0 |
0 |
0.014 |
20 |
|
[TPP]A:405 |
4 |
1 |
598 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14013 |
31.3 |
-1.7 |
0.462 |
0 |
0 |
0 |
0.014 |
Average: |
31.4 |
-1.7 |
0.459 |
0 |
0 |
0 |
0.014 |
14 |
21 |
|
[NA]B:408 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
14190 |
27.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.020 |
22 |
|
[NA]A:404 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14013 |
27.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
27.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.020 |
15 |
23 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14013 |
26.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.038 |
24 |
|
[CA]A:407 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14190 |
25.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
26.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.038 |
16 |
25 |
|
[CA]B:406 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
14190 |
25.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.032 |
26 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14013 |
25.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
25.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.032 |
17 |
27 |
|
[TPP]A:405 |
5 |
1 |
598 |
f |
[CA]A:407 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.045 |
28 |
|
[TPP]B:401 |
5 |
1 |
595 |
f |
[CA]B:403 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
25.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.045 |
18 |
29 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14013 |
25.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.043 |
30 |
|
[CA]A:406 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14190 |
25.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
25.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.043 |
19 |
31 |
|
[MG]B:407 |
1 |
1 |
98 |
f |
[ADP]B:405 |
x,y,z |
1_555 |
5 |
1 |
555 |
23.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.029 |
32 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[ADP]A:401 |
x,y,z |
1_555 |
6 |
1 |
554 |
23.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
23.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.029 |
20 |
33 |
|
[TPP]A:405 |
3 |
1 |
598 |
f |
[CA]B:406 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.039 |
34 |
|
[TPP]B:401 |
3 |
1 |
595 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
23.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.039 |
21 |
35 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
[ADP]B:405 |
x,y,z |
1_555 |
8 |
1 |
555 |
22.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.022 |
36 |
|
[NA]B:408 |
1 |
1 |
125 |
f |
[ADP]A:401 |
x,y,z |
1_555 |
9 |
1 |
554 |
21.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
22.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.022 |
22 |
37 |
|
[MG]A:408 |
1 |
1 |
98 |
f |
[ADP]B:405 |
x,y,z |
1_555 |
4 |
1 |
555 |
21.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.025 |
38 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[ADP]A:401 |
x,y,z |
1_555 |
4 |
1 |
554 |
21.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
21.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.025 |
23 |
39 |
|
[MG]A:408 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
14013 |
20.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.015 |
40 |
|
[MG]B:404 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
14190 |
20.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
20.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.015 |
24 |
41 |
|
[TPP]B:401 |
4 |
1 |
595 |
f |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.022 |
42 |
|
[TPP]A:405 |
4 |
1 |
598 |
f |
[MG]B:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
20.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.022 |
25 |
43 |
|
[CA]B:406 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14013 |
18.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.027 |
44 |
|
[CA]A:402 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
14190 |
18.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
18.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.027 |
26 |
45 |
|
[TPP]A:405 |
3 |
1 |
598 |
f |
[CA]A:406 |
x,y,z |
1_555 |
1 |
1 |
85 |
18.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
46 |
|
[TPP]B:401 |
3 |
1 |
595 |
f |
[CA]B:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
18.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
18.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
27 |
47 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14190 |
17.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.013 |
48 |
|
[MG]B:407 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14013 |
17.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
17.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.013 |
28 |
49 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
[ADP]A:401 |
x,y,z |
1_555 |
4 |
1 |
554 |
16.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.025 |
50 |
|
[CA]A:406 |
1 |
1 |
85 |
f |
[ADP]B:405 |
x,y,z |
1_555 |
4 |
1 |
555 |
16.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
16.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.025 |
29 |
51 |
|
[MG]B:407 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
14190 |
13.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.011 |
52 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
14013 |
13.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
13.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.011 |
30 |
53 |
|
[CA]B:403 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14190 |
13.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.014 |
54 |
|
[CA]A:407 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14013 |
13.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
13.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.014 |
31 |
55 |
|
[CA]A:407 |
1 |
1 |
85 |
f |
[ADP]B:405 |
x,y,z |
1_555 |
3 |
1 |
555 |
12.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.021 |
56 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
[ADP]A:401 |
x,y,z |
1_555 |
4 |
1 |
554 |
12.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.021 |
32 |
57 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
[MG]B:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.010 |
33 |
58 |
|
[NA]B:408 |
1 |
1 |
125 |
f |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.010 |
34 |
59 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
35 |
60 |
|
[MG]B:407 |
1 |
1 |
98 |
f |
[CA]B:406 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
36 |
61 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
[CA]A:406 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.008 |
37 |
62 |
|
[NA]B:408 |
1 |
1 |
125 |
f |
[CA]B:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.008 |
38 |
63 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[CA]B:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
39 |
64 |
|
[MG]B:407 |
1 |
1 |
98 |
f |
[CA]A:406 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
40 |
65 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[CA]B:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.007 |
41 |
66 |
|
[MG]A:408 |
1 |
1 |
98 |
f |
[CA]A:406 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.007 |
42 |
67 |
|
[TPP]A:405 |
3 |
1 |
598 |
f |
[NA]A:404 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
68 |
|
[TPP]B:401 |
3 |
1 |
595 |
f |
[NA]B:408 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
5.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
43 |
69 |
|
[CA]B:406 |
1 |
1 |
85 |
f |
[ADP]B:405 |
x,y,z |
1_555 |
1 |
1 |
555 |
3.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
70 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
[ADP]A:401 |
x,y,z |
1_555 |
1 |
1 |
554 |
3.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
3.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
44 |
71 |
|
[TPP]B:401 |
1 |
1 |
595 |
f |
[MG]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
72 |
|
[TPP]A:405 |
2 |
1 |
598 |
f |
[MG]A:408 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
3.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
45 |
73 |
|
A |
1 |
1 |
14190 |
x |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
14190 |
1.6 |
-0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
|