## |
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 |
116 |
36 |
10284 |
◊ |
A |
x,y,z |
1_555 |
110 |
32 |
10316 |
1017.7 |
-5.9 |
0.641 |
9 |
10 |
0 |
0.250 |
2 |
|
D |
114 |
39 |
9882 |
◊ |
C |
x,y,z |
1_555 |
111 |
32 |
10295 |
1015.3 |
-4.2 |
0.642 |
11 |
14 |
0 |
0.250 |
3 |
|
F |
123 |
37 |
10302 |
◊ |
E |
x,y,z |
1_555 |
99 |
31 |
10057 |
1002.1 |
-6.7 |
0.744 |
9 |
7 |
0 |
0.250 |
4 |
|
C |
120 |
37 |
10295 |
◊ |
B |
x,y,z |
1_555 |
109 |
36 |
10284 |
989.1 |
-5.3 |
0.582 |
10 |
9 |
0 |
0.250 |
5 |
|
E |
117 |
37 |
10057 |
◊ |
D |
x,y,z |
1_555 |
102 |
30 |
9882 |
959.3 |
-3.5 |
0.695 |
12 |
15 |
0 |
0.250 |
6 |
|
F |
100 |
31 |
10302 |
◊ |
A |
x,y,z |
1_555 |
101 |
31 |
10316 |
862.0 |
-2.7 |
0.742 |
9 |
11 |
0 |
0.250 |
Average: |
974.2 |
-4.7 |
0.674 |
10 |
11 |
0 |
0.250 |
2 |
7 |
|
E |
33 |
8 |
10057 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
41 |
12 |
10316 |
329.7 |
-0.2 |
0.653 |
3 |
1 |
0 |
0.000 |
3 |
8 |
|
[ANP]C:301 |
29 |
1 |
643 |
f |
C |
x,y,z |
1_555 |
45 |
17 |
10295 |
300.1 |
-2.7 |
0.577 |
13 |
0 |
0 |
0.222 |
9 |
|
[ANP]D:301 |
29 |
1 |
643 |
f |
D |
x,y,z |
1_555 |
42 |
15 |
9882 |
298.7 |
-2.3 |
0.561 |
21 |
0 |
0 |
0.222 |
10 |
|
[ANP]B:301 |
29 |
1 |
641 |
f |
B |
x,y,z |
1_555 |
39 |
14 |
10284 |
296.5 |
-2.7 |
0.567 |
15 |
0 |
0 |
0.222 |
11 |
|
[ANP]F:301 |
29 |
1 |
646 |
f |
F |
x,y,z |
1_555 |
44 |
15 |
10302 |
294.7 |
-3.0 |
0.581 |
16 |
0 |
0 |
0.222 |
12 |
|
[ANP]A:301 |
28 |
1 |
640 |
f |
A |
x,y,z |
1_555 |
41 |
16 |
10316 |
292.3 |
-2.2 |
0.577 |
14 |
0 |
0 |
0.222 |
13 |
|
[ANP]E:301 |
28 |
1 |
641 |
f |
E |
x,y,z |
1_555 |
44 |
16 |
10057 |
291.4 |
-2.9 |
0.558 |
15 |
0 |
0 |
0.222 |
Average: |
295.6 |
-2.7 |
0.570 |
16 |
0 |
0 |
0.222 |
4 |
14 |
|
D |
31 |
11 |
9882 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
33 |
11 |
10284 |
290.7 |
-7.2 |
0.115 |
0 |
0 |
0 |
0.067 |
15 |
|
C |
35 |
11 |
10295 |
◊ |
C |
x-y,-y,-z-1/3 |
5_554 |
35 |
11 |
10295 |
284.8 |
-7.4 |
0.091 |
0 |
0 |
0 |
0.067 |
16 |
|
E |
34 |
11 |
10057 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
33 |
9 |
10316 |
265.9 |
-6.7 |
0.130 |
0 |
0 |
0 |
0.067 |
17 |
|
F |
18 |
8 |
10302 |
◊ |
F |
x-y,-y,-z-1/3 |
5_554 |
18 |
8 |
10302 |
158.5 |
-4.5 |
0.144 |
0 |
0 |
0 |
0.067 |
Average: |
250.0 |
-6.4 |
0.120 |
0 |
0 |
0 |
0.067 |
5 |
18 |
|
[ANP]F:301 |
22 |
1 |
646 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
10316 |
234.3 |
0.1 |
0.695 |
5 |
0 |
0 |
0.053 |
19 |
|
[ANP]D:301 |
21 |
1 |
643 |
◊ |
E |
x,y,z |
1_555 |
38 |
11 |
10057 |
232.5 |
-0.8 |
0.523 |
4 |
0 |
0 |
0.053 |
20 |
|
[ANP]C:301 |
22 |
1 |
643 |
◊ |
D |
x,y,z |
1_555 |
35 |
11 |
9882 |
230.6 |
-0.4 |
0.663 |
6 |
0 |
0 |
0.053 |
21 |
|
[ANP]B:301 |
22 |
1 |
641 |
◊ |
C |
x,y,z |
1_555 |
38 |
11 |
10295 |
230.1 |
-0.7 |
0.539 |
6 |
0 |
0 |
0.053 |
22 |
|
[ANP]A:301 |
23 |
1 |
640 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
10284 |
229.3 |
-0.4 |
0.697 |
5 |
0 |
0 |
0.053 |
Average: |
231.4 |
-0.4 |
0.623 |
5 |
0 |
0 |
0.053 |
6 |
23 |
|
[ANP]E:301 |
24 |
1 |
641 |
◊ |
F |
x,y,z |
1_555 |
36 |
11 |
10302 |
233.5 |
-0.8 |
0.667 |
5 |
0 |
0 |
0.012 |
7 |
24 |
|
B |
22 |
8 |
10284 |
◊ |
B |
-x,-x+y,-z-2/3 |
6_554 |
22 |
9 |
10284 |
213.9 |
1.2 |
0.912 |
4 |
4 |
0 |
0.000 |
25 |
|
D |
27 |
7 |
9882 |
◊ |
D |
y,x,-z |
4_555 |
27 |
7 |
9882 |
200.3 |
0.7 |
0.859 |
4 |
2 |
0 |
0.000 |
Average: |
207.1 |
1.0 |
0.885 |
4 |
3 |
0 |
0.000 |
8 |
26 |
|
C |
16 |
5 |
10295 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
16 |
5 |
10284 |
150.6 |
-1.7 |
0.494 |
0 |
0 |
0 |
0.021 |
27 |
|
F |
15 |
5 |
10302 |
◊ |
E |
x-y,-y,-z-1/3 |
5_554 |
20 |
6 |
10057 |
148.1 |
-2.3 |
0.421 |
0 |
0 |
0 |
0.021 |
28 |
|
D |
15 |
4 |
9882 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
16 |
6 |
10316 |
141.4 |
-2.2 |
0.357 |
0 |
0 |
0 |
0.021 |
Average: |
146.7 |
-2.1 |
0.424 |
0 |
0 |
0 |
0.021 |
9 |
29 |
|
A |
16 |
6 |
10316 |
◊ |
C |
x-y,-y+1,-z-1/3 |
5_564 |
15 |
4 |
10295 |
142.1 |
-2.5 |
0.298 |
2 |
0 |
0 |
0.000 |
10 |
30 |
|
F |
7 |
4 |
10302 |
◊ |
B |
x-y,-y+1,-z-1/3 |
5_564 |
11 |
2 |
10284 |
73.4 |
-1.3 |
0.393 |
0 |
0 |
0 |
0.000 |
11 |
31 |
|
[CL]E:303 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
10057 |
57.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.169 |
32 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
10295 |
56.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.169 |
33 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
10316 |
56.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.169 |
34 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
10284 |
55.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.169 |
35 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
9882 |
54.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.169 |
36 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
10302 |
54.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.169 |
Average: |
56.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.169 |
12 |
37 |
|
[MG]E:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
10057 |
37.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.089 |
38 |
|
[MG]F:302 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
10302 |
36.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.089 |
39 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
10295 |
36.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.089 |
40 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10284 |
36.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.089 |
41 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
9882 |
35.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.089 |
42 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10316 |
35.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
36.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.089 |
13 |
43 |
|
[MG]E:302 |
1 |
1 |
98 |
f |
[ANP]E:301 |
x,y,z |
1_555 |
4 |
1 |
641 |
35.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.108 |
44 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
[ANP]B:301 |
x,y,z |
1_555 |
4 |
1 |
641 |
35.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.108 |
45 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[ANP]D:301 |
x,y,z |
1_555 |
4 |
1 |
643 |
34.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.108 |
46 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
[ANP]C:301 |
x,y,z |
1_555 |
4 |
1 |
643 |
33.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.108 |
47 |
|
[MG]F:302 |
1 |
1 |
98 |
f |
[ANP]F:301 |
x,y,z |
1_555 |
5 |
1 |
646 |
33.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.108 |
48 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[ANP]A:301 |
x,y,z |
1_555 |
5 |
1 |
640 |
33.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
34.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.108 |
14 |
49 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10316 |
33.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.068 |
50 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10284 |
30.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.068 |
51 |
|
[CL]D:303 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
10057 |
28.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.068 |
52 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
10295 |
25.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.068 |
53 |
|
[CL]C:303 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
9882 |
25.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.068 |
54 |
|
[CL]E:303 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10302 |
23.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
27.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.068 |
15 |
55 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
D |
x-y,-y,-z-1/3 |
5_554 |
5 |
2 |
9882 |
21.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
56 |
|
[CL]C:303 |
1 |
1 |
125 |
◊ |
C |
x-y,-y,-z-1/3 |
5_554 |
5 |
2 |
10295 |
16.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.028 |
57 |
|
[CL]E:303 |
1 |
1 |
125 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
4 |
1 |
10316 |
14.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.028 |
58 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
E |
x-y,-y,-z-1/3 |
5_554 |
5 |
2 |
10057 |
11.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.028 |
59 |
|
[CL]D:303 |
1 |
1 |
125 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
3 |
1 |
10284 |
7.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.028 |
60 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
F |
x-y,-y,-z-1/3 |
5_554 |
3 |
1 |
10302 |
3.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
12.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.028 |
16 |
61 |
|
[MG]D:302 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10057 |
16.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.030 |
62 |
|
[MG]F:302 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10316 |
16.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.030 |
63 |
|
[MG]A:302 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10284 |
15.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.030 |
64 |
|
[MG]B:302 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10295 |
15.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.030 |
65 |
|
[MG]C:302 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
9882 |
14.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.030 |
66 |
|
[MG]E:302 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10302 |
13.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
15.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.030 |
17 |
67 |
|
F |
1 |
1 |
10302 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
10295 |
8.6 |
-0.1 |
0.437 |
0 |
0 |
0 |
0.000 |
18 |
68 |
|
D |
2 |
2 |
9882 |
◊ |
C |
x-y,-y,-z-1/3 |
5_554 |
2 |
2 |
10295 |
4.5 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
19 |
69 |
|
E |
2 |
1 |
10057 |
◊ |
E |
x-y,-y,-z-1/3 |
5_554 |
2 |
1 |
10057 |
3.4 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
|