## |
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 |
292 |
71 |
9239 |
◊ |
A |
x,y,z |
1_555 |
284 |
69 |
9477 |
2746.5 |
-30.5 |
0.311 |
48 |
12 |
0 |
0.740 |
2 |
|
H |
289 |
68 |
9626 |
◊ |
G |
x,y,z |
1_555 |
290 |
67 |
8987 |
2733.9 |
-30.6 |
0.312 |
50 |
11 |
0 |
0.740 |
3 |
|
F |
281 |
66 |
9433 |
◊ |
E |
x,y,z |
1_555 |
285 |
66 |
9111 |
2691.5 |
-29.1 |
0.320 |
51 |
14 |
0 |
0.740 |
4 |
|
D |
278 |
66 |
9044 |
◊ |
C |
x,y,z |
1_555 |
279 |
68 |
9642 |
2678.4 |
-33.4 |
0.238 |
47 |
8 |
0 |
0.740 |
Average: |
2712.6 |
-30.9 |
0.296 |
49 |
11 |
0 |
0.740 |
2 |
5 |
|
C |
36 |
14 |
9642 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
9477 |
412.7 |
-3.8 |
0.425 |
1 |
1 |
0 |
0.026 |
6 |
|
H |
36 |
13 |
9626 |
◊ |
F |
x,y,z |
1_555 |
35 |
13 |
9433 |
357.3 |
-3.5 |
0.412 |
0 |
0 |
0 |
0.026 |
Average: |
385.0 |
-3.6 |
0.418 |
1 |
1 |
0 |
0.026 |
3 |
7 |
|
D |
39 |
15 |
9044 |
◊ |
A |
x,y,z |
1_555 |
51 |
15 |
9477 |
384.9 |
-2.6 |
0.607 |
8 |
5 |
0 |
0.071 |
8 |
|
C |
48 |
15 |
9642 |
◊ |
B |
x,y,z |
1_555 |
38 |
15 |
9239 |
377.7 |
-2.7 |
0.582 |
4 |
5 |
0 |
0.071 |
9 |
|
H |
40 |
12 |
9626 |
◊ |
E |
x,y,z |
1_555 |
28 |
12 |
9111 |
324.7 |
-1.6 |
0.575 |
6 |
7 |
0 |
0.071 |
10 |
|
G |
30 |
14 |
8987 |
◊ |
F |
x,y,z |
1_555 |
44 |
15 |
9433 |
314.1 |
-2.1 |
0.569 |
5 |
7 |
0 |
0.071 |
Average: |
350.3 |
-2.2 |
0.583 |
6 |
6 |
0 |
0.071 |
4 |
11 |
|
E |
38 |
9 |
9111 |
◊ |
D |
-y+1,-x+2,-z+9/4 |
8_677 |
42 |
9 |
9044 |
355.2 |
1.3 |
0.880 |
6 |
0 |
0 |
0.000 |
12 |
|
B |
38 |
8 |
9239 |
◊ |
G |
-y+1,-x+2,-z+9/4 |
8_677 |
33 |
8 |
8987 |
333.7 |
0.1 |
0.799 |
7 |
1 |
0 |
0.000 |
Average: |
344.4 |
0.7 |
0.840 |
7 |
1 |
0 |
0.000 |
5 |
13 |
|
E |
34 |
11 |
9111 |
◊ |
C |
x,y,z |
1_555 |
34 |
10 |
9642 |
320.4 |
-1.3 |
0.672 |
2 |
0 |
0 |
0.000 |
14 |
|
G |
34 |
11 |
8987 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
9477 |
311.0 |
-1.3 |
0.682 |
3 |
0 |
0 |
0.000 |
15 |
|
F |
34 |
9 |
9433 |
◊ |
D |
x,y,z |
1_555 |
30 |
11 |
9044 |
281.2 |
-1.5 |
0.615 |
1 |
0 |
0 |
0.000 |
16 |
|
H |
29 |
9 |
9626 |
◊ |
B |
x,y,z |
1_555 |
28 |
10 |
9239 |
272.8 |
-1.7 |
0.571 |
1 |
0 |
0 |
0.000 |
17 |
|
F |
13 |
6 |
9433 |
◊ |
E |
x,-y+1,-z+5/2 |
6_567 |
16 |
7 |
9111 |
143.5 |
-2.3 |
0.339 |
1 |
0 |
0 |
0.000 |
Average: |
265.8 |
-1.6 |
0.575 |
2 |
0 |
0 |
0.000 |
6 |
18 |
|
B |
21 |
8 |
9239 |
◊ |
A |
-x+2,y,-z+2 |
5_757 |
29 |
8 |
9477 |
222.6 |
-2.8 |
0.345 |
2 |
0 |
0 |
0.000 |
7 |
19 |
|
A |
23 |
10 |
9477 |
◊ |
A |
-x+2,y,-z+2 |
5_757 |
22 |
10 |
9477 |
183.5 |
-1.8 |
0.519 |
0 |
0 |
0 |
0.000 |
8 |
20 |
|
E |
14 |
3 |
9111 |
◊ |
C |
-y+1,-x+1,-z+9/4 |
8_667 |
14 |
3 |
9642 |
116.7 |
0.9 |
0.720 |
3 |
4 |
0 |
0.000 |
9 |
21 |
|
G |
13 |
5 |
8987 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
9044 |
96.0 |
-1.0 |
0.539 |
0 |
0 |
0 |
0.000 |
22 |
|
E |
9 |
4 |
9111 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
9239 |
93.7 |
-1.1 |
0.479 |
0 |
0 |
0 |
0.000 |
Average: |
94.9 |
-1.0 |
0.509 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
H |
15 |
4 |
9626 |
◊ |
A |
-y+2,-x+2,-z+9/4 |
8_777 |
10 |
3 |
9477 |
90.8 |
0.8 |
0.771 |
0 |
4 |
0 |
0.000 |
11 |
24 |
|
F |
11 |
4 |
9433 |
◊ |
C |
-y+1,-x+1,-z+9/4 |
8_667 |
10 |
2 |
9642 |
88.7 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
12 |
25 |
|
G |
8 |
3 |
8987 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
9111 |
83.2 |
1.1 |
0.863 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
5 |
1 |
9044 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
9239 |
70.3 |
1.3 |
0.858 |
0 |
0 |
0 |
0.000 |
Average: |
76.7 |
1.2 |
0.860 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
F |
9 |
2 |
9433 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
9477 |
71.2 |
-0.8 |
0.503 |
0 |
0 |
0 |
0.002 |
28 |
|
H |
8 |
2 |
9626 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
9642 |
70.4 |
-0.7 |
0.503 |
0 |
0 |
0 |
0.002 |
Average: |
70.8 |
-0.8 |
0.503 |
0 |
0 |
0 |
0.002 |
14 |
29 |
|
[NI]A:203 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
9477 |
63.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.130 |
30 |
|
[NI]C:203 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
9642 |
62.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.130 |
31 |
|
[NI]H:202 |
1 |
1 |
115 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
9626 |
61.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.130 |
32 |
|
[NI]F:202 |
1 |
1 |
115 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
9433 |
59.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
61.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.130 |
15 |
33 |
|
[MN]A:201 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
9477 |
57.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.100 |
34 |
|
[MN]H:201 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
9626 |
52.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.100 |
35 |
|
[MN]F:201 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
9433 |
51.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
36 |
|
[MN]E:201 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
9111 |
51.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
37 |
|
[MN]C:201 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9642 |
51.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
38 |
|
[MN]G:201 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
8987 |
51.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
39 |
|
[MN]B:201 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9239 |
51.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
40 |
|
[MN]D:201 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9044 |
51.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
52.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
16 |
41 |
|
E |
7 |
2 |
9111 |
◊ |
E |
x,-y+1,-z+5/2 |
6_567 |
7 |
2 |
9111 |
45.3 |
-1.4 |
0.305 |
0 |
0 |
0 |
0.000 |
42 |
|
H |
7 |
2 |
9626 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
9477 |
44.0 |
-1.4 |
0.295 |
0 |
0 |
0 |
0.000 |
43 |
|
F |
6 |
1 |
9433 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
9642 |
43.7 |
-1.4 |
0.264 |
0 |
0 |
0 |
0.000 |
Average: |
44.3 |
-1.4 |
0.288 |
0 |
0 |
0 |
0.000 |
17 |
44 |
|
G |
5 |
2 |
8987 |
◊ |
G |
-y+2,-x+2,-z+9/4 |
8_777 |
5 |
2 |
8987 |
42.2 |
0.1 |
0.704 |
0 |
0 |
0 |
0.000 |
18 |
45 |
|
[MN]D:201 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
9642 |
40.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.050 |
46 |
|
[MN]B:201 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9477 |
39.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.050 |
47 |
|
[MN]G:201 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
9626 |
39.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.050 |
48 |
|
[MN]F:201 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
9111 |
38.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.050 |
49 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
9433 |
38.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.050 |
50 |
|
[MN]C:201 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
9044 |
38.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.050 |
51 |
|
[MN]H:201 |
1 |
1 |
123 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
8987 |
38.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.050 |
52 |
|
[MN]A:201 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9239 |
36.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
38.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.050 |
19 |
53 |
|
[NI]C:202 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
9642 |
39.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.027 |
54 |
|
[NI]C:202 |
1 |
1 |
115 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
9626 |
38.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.027 |
55 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
9477 |
38.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.027 |
56 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
9433 |
37.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
38.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.027 |
20 |
57 |
|
A |
5 |
3 |
9477 |
◊ |
G |
-y+1,-x+2,-z+9/4 |
8_677 |
4 |
1 |
8987 |
35.3 |
0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
58 |
|
E |
4 |
1 |
9111 |
◊ |
C |
-y+1,-x+2,-z+9/4 |
8_677 |
4 |
2 |
9642 |
25.1 |
0.3 |
0.738 |
1 |
0 |
0 |
0.000 |
Average: |
30.2 |
0.2 |
0.704 |
1 |
0 |
0 |
0.000 |
21 |
59 |
|
[NI]F:202 |
1 |
1 |
115 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
8987 |
24.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.032 |
60 |
|
[NI]C:203 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9239 |
23.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.032 |
61 |
|
[NI]H:202 |
1 |
1 |
115 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
9111 |
22.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.032 |
62 |
|
[NI]A:203 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9044 |
21.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
23.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.032 |
22 |
63 |
|
B |
3 |
2 |
9239 |
◊ |
B |
-x+2,y,-z+2 |
5_757 |
4 |
2 |
9239 |
19.3 |
-0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
23 |
64 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
8987 |
17.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
[NI]C:202 |
1 |
1 |
115 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
9111 |
13.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
|
[NI]C:202 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
9239 |
11.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9044 |
9.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
13.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
68 |
|
G |
2 |
1 |
8987 |
◊ |
A |
-y+2,-x+2,-z+9/4 |
8_777 |
1 |
1 |
9477 |
8.3 |
-0.3 |
0.357 |
0 |
0 |
0 |
0.000 |
25 |
69 |
|
C |
3 |
2 |
9642 |
◊ |
C |
-x+2,y,-z+2 |
5_757 |
3 |
2 |
9642 |
4.7 |
0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
|