## |
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 |
|
J |
647 |
146 |
32403 |
◊ |
I |
x,y,z |
1_555 |
651 |
146 |
32400 |
6296.0 |
-69.1 |
0.990 |
363 |
0 |
0 |
0.844 |
2 |
2 |
|
D |
255 |
64 |
7981 |
◊ |
C |
x,y,z |
1_555 |
240 |
60 |
8956 |
2511.4 |
-43.7 |
0.032 |
20 |
8 |
0 |
1.000 |
3 |
|
H |
257 |
64 |
8075 |
◊ |
G |
x,y,z |
1_555 |
244 |
59 |
8842 |
2489.9 |
-45.7 |
0.021 |
20 |
7 |
0 |
1.000 |
Average: |
2500.7 |
-44.7 |
0.027 |
20 |
8 |
0 |
1.000 |
3 |
4 |
|
F |
233 |
55 |
7072 |
◊ |
E |
x,y,z |
1_555 |
256 |
59 |
8802 |
2484.1 |
-42.7 |
0.029 |
21 |
2 |
0 |
1.000 |
5 |
|
B |
224 |
51 |
6512 |
◊ |
A |
x,y,z |
1_555 |
248 |
58 |
8575 |
2396.2 |
-39.8 |
0.044 |
20 |
6 |
0 |
1.000 |
Average: |
2440.1 |
-41.2 |
0.036 |
21 |
4 |
0 |
1.000 |
4 |
6 |
|
J |
106 |
22 |
32403 |
◊ |
A |
x,y,z |
1_555 |
77 |
23 |
8575 |
763.4 |
-6.0 |
0.820 |
12 |
0 |
0 |
0.224 |
5 |
7 |
|
I |
99 |
19 |
32400 |
◊ |
E |
x,y,z |
1_555 |
82 |
23 |
8802 |
763.1 |
-7.2 |
0.772 |
15 |
0 |
0 |
0.456 |
6 |
8 |
|
I |
85 |
17 |
32400 |
◊ |
A |
x,y,z |
1_555 |
79 |
24 |
8575 |
686.3 |
-11.7 |
0.597 |
13 |
0 |
0 |
0.513 |
7 |
9 |
|
J |
87 |
16 |
32403 |
◊ |
E |
x,y,z |
1_555 |
72 |
21 |
8802 |
679.5 |
-14.4 |
0.482 |
15 |
0 |
0 |
0.494 |
8 |
10 |
|
C |
60 |
16 |
8956 |
◊ |
E |
x,y,z |
1_555 |
64 |
20 |
8802 |
664.2 |
-7.9 |
0.291 |
7 |
0 |
0 |
0.223 |
11 |
|
G |
62 |
17 |
8842 |
◊ |
A |
x,y,z |
1_555 |
64 |
21 |
8575 |
662.3 |
-7.8 |
0.297 |
7 |
0 |
0 |
0.223 |
Average: |
663.3 |
-7.9 |
0.294 |
7 |
0 |
0 |
0.223 |
9 |
12 |
|
E |
61 |
15 |
8802 |
◊ |
A |
x,y,z |
1_555 |
58 |
15 |
8575 |
618.8 |
-8.1 |
0.329 |
2 |
4 |
0 |
0.130 |
10 |
13 |
|
D |
53 |
13 |
7981 |
◊ |
B |
x,y,z |
1_555 |
50 |
11 |
6512 |
482.7 |
-1.6 |
0.686 |
6 |
4 |
0 |
0.046 |
14 |
|
H |
50 |
13 |
8075 |
◊ |
F |
x,y,z |
1_555 |
51 |
11 |
7072 |
478.2 |
-1.4 |
0.704 |
5 |
2 |
0 |
0.046 |
Average: |
480.5 |
-1.5 |
0.695 |
6 |
3 |
0 |
0.046 |
11 |
15 |
|
[1SZ]J:1601 |
54 |
1 |
1388 |
◊ |
J |
x,y,z |
1_555 |
59 |
10 |
32403 |
436.4 |
-1.0 |
0.442 |
3 |
0 |
0 |
0.000 |
12 |
16 |
|
J |
57 |
12 |
32403 |
◊ |
C |
x,y,z |
1_555 |
44 |
16 |
8956 |
434.6 |
-6.2 |
0.609 |
10 |
0 |
0 |
0.074 |
13 |
17 |
|
I |
53 |
11 |
32400 |
◊ |
G |
x,y,z |
1_555 |
42 |
15 |
8842 |
431.2 |
-4.8 |
0.644 |
13 |
0 |
0 |
0.349 |
14 |
18 |
|
I |
50 |
13 |
32400 |
◊ |
D |
x,y,z |
1_555 |
46 |
15 |
7981 |
427.2 |
-8.2 |
0.483 |
13 |
0 |
0 |
0.426 |
15 |
19 |
|
[1SZ]I:1625 |
50 |
1 |
1174 |
cf |
I |
x,y,z |
1_555 |
58 |
10 |
32400 |
426.6 |
-0.7 |
0.952 |
2 |
0 |
0 |
0.052 |
16 |
20 |
|
[1SZ]J:1601 |
52 |
1 |
1388 |
◊ |
I |
x,y,z |
1_555 |
62 |
9 |
32400 |
422.5 |
5.9 |
0.837 |
2 |
0 |
0 |
0.000 |
17 |
21 |
|
J |
51 |
12 |
32403 |
◊ |
H |
x,y,z |
1_555 |
46 |
13 |
8075 |
392.1 |
-8.4 |
0.459 |
14 |
0 |
0 |
0.404 |
18 |
22 |
|
G |
43 |
14 |
8842 |
◊ |
B |
x,y,z |
1_555 |
43 |
11 |
6512 |
387.4 |
-4.3 |
0.347 |
5 |
0 |
0 |
0.099 |
23 |
|
C |
42 |
14 |
8956 |
◊ |
F |
x,y,z |
1_555 |
46 |
11 |
7072 |
385.2 |
-4.7 |
0.311 |
5 |
0 |
0 |
0.099 |
Average: |
386.3 |
-4.5 |
0.329 |
5 |
0 |
0 |
0.099 |
19 |
24 |
|
I |
43 |
7 |
32400 |
◊ |
F |
x,y,z |
1_555 |
40 |
14 |
7072 |
370.6 |
-7.2 |
0.486 |
6 |
0 |
0 |
0.088 |
20 |
25 |
|
I |
54 |
12 |
32400 |
◊ |
C |
x,y,z |
1_555 |
48 |
12 |
8956 |
370.3 |
-6.8 |
0.587 |
3 |
0 |
0 |
0.164 |
21 |
26 |
|
J |
52 |
11 |
32403 |
◊ |
G |
x,y,z |
1_555 |
44 |
12 |
8842 |
361.9 |
-4.7 |
0.648 |
5 |
0 |
0 |
0.136 |
22 |
27 |
|
J |
41 |
8 |
32403 |
◊ |
B |
x,y,z |
1_555 |
42 |
16 |
6512 |
358.1 |
-6.9 |
0.483 |
9 |
0 |
0 |
0.099 |
23 |
28 |
|
I |
38 |
6 |
32400 |
◊ |
H |
x,y,z |
1_555 |
32 |
11 |
8075 |
278.9 |
-3.5 |
0.667 |
4 |
0 |
0 |
0.039 |
24 |
29 |
|
H |
35 |
11 |
8075 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
6512 |
276.0 |
-0.0 |
0.721 |
6 |
1 |
0 |
0.026 |
30 |
|
D |
31 |
11 |
7981 |
◊ |
F |
x,y,z |
1_555 |
28 |
6 |
7072 |
241.5 |
-0.1 |
0.710 |
5 |
2 |
0 |
0.026 |
Average: |
258.7 |
-0.1 |
0.716 |
6 |
2 |
0 |
0.026 |
25 |
31 |
|
J |
31 |
4 |
32403 |
◊ |
D |
x,y,z |
1_555 |
36 |
11 |
7981 |
270.3 |
-4.7 |
0.553 |
5 |
0 |
0 |
0.048 |
26 |
32 |
|
I |
41 |
10 |
32400 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
6512 |
249.3 |
-0.7 |
0.781 |
4 |
0 |
0 |
0.029 |
27 |
33 |
|
J |
36 |
10 |
32403 |
◊ |
F |
x,y,z |
1_555 |
23 |
10 |
7072 |
244.4 |
-1.4 |
0.716 |
3 |
0 |
0 |
0.028 |
28 |
34 |
|
[1SZ]I:1625 |
28 |
1 |
1174 |
◊ |
J |
x,y,z |
1_555 |
34 |
9 |
32403 |
244.3 |
1.4 |
0.935 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
D |
22 |
6 |
7981 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
5 |
7072 |
221.3 |
0.6 |
0.734 |
3 |
3 |
0 |
0.005 |
30 |
36 |
|
C |
23 |
6 |
8956 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
5 |
7072 |
181.2 |
-1.7 |
0.496 |
1 |
2 |
0 |
0.011 |
31 |
37 |
|
G |
19 |
4 |
8842 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
8956 |
151.6 |
0.9 |
0.755 |
1 |
0 |
0 |
0.000 |
32 |
38 |
|
D |
19 |
7 |
7981 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
5 |
32403 |
143.3 |
-2.1 |
0.573 |
2 |
0 |
0 |
0.008 |
33 |
39 |
|
[1SZ]I:1625 |
13 |
1 |
1174 |
◊ |
G |
x,y,z |
1_555 |
18 |
7 |
8842 |
126.7 |
-3.1 |
0.463 |
0 |
0 |
0 |
0.103 |
34 |
40 |
|
A |
12 |
3 |
8575 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
3 |
32403 |
116.6 |
-1.3 |
0.600 |
2 |
0 |
0 |
0.000 |
35 |
41 |
|
I |
14 |
3 |
32400 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
32403 |
86.5 |
-1.2 |
0.610 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
J |
13 |
1 |
32403 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
14 |
1 |
32400 |
86.4 |
3.3 |
0.891 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
C |
10 |
3 |
8956 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
4 |
8802 |
80.0 |
0.7 |
0.718 |
1 |
0 |
0 |
0.000 |
38 |
44 |
|
D |
9 |
4 |
7981 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
3 |
32400 |
76.8 |
-2.3 |
0.356 |
0 |
0 |
0 |
0.010 |
39 |
45 |
|
I |
8 |
3 |
32400 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
8842 |
76.2 |
-1.2 |
0.382 |
4 |
0 |
0 |
0.000 |
40 |
46 |
|
I |
12 |
3 |
32400 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
4 |
8075 |
73.5 |
-0.5 |
0.663 |
1 |
0 |
0 |
0.003 |
41 |
47 |
|
J |
9 |
1 |
32403 |
x |
J |
x-1/2,-y+1/2,-z |
4_455 |
11 |
1 |
32403 |
69.9 |
1.6 |
0.786 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
D |
7 |
4 |
7981 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
3 |
8802 |
63.8 |
0.2 |
0.702 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
D |
6 |
2 |
7981 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
8842 |
57.9 |
-0.1 |
0.626 |
2 |
0 |
0 |
0.005 |
50 |
|
H |
4 |
2 |
8075 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
8956 |
55.6 |
-0.8 |
0.375 |
0 |
0 |
0 |
0.005 |
Average: |
56.8 |
-0.4 |
0.501 |
1 |
0 |
0 |
0.005 |
44 |
51 |
|
[1SZ]J:1601 |
6 |
1 |
1388 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8956 |
56.0 |
-1.2 |
0.341 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[MN]J:603 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
10 |
3 |
32403 |
54.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.101 |
46 |
53 |
|
[MN]J:605 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32403 |
54.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.123 |
47 |
54 |
|
[MN]J:608 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32403 |
53.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.116 |
48 |
55 |
|
J |
8 |
2 |
32403 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
8075 |
53.7 |
0.1 |
0.562 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
[MN]I:610 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
32400 |
53.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.114 |
50 |
57 |
|
[MN]I:604 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32400 |
53.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.127 |
51 |
58 |
|
[MN]I:606 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32400 |
52.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.134 |
52 |
59 |
|
[MN]I:602 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32400 |
50.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.121 |
53 |
60 |
|
[MN]D:607 |
1 |
1 |
123 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
3 |
8802 |
49.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.006 |
54 |
61 |
|
[MN]J:601 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32403 |
48.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.096 |
55 |
62 |
|
C |
5 |
2 |
8956 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
32403 |
46.7 |
-0.9 |
0.483 |
2 |
0 |
0 |
0.005 |
56 |
63 |
|
[MN]J:609 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32403 |
45.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.088 |
57 |
64 |
|
[MN]J:611 |
1 |
1 |
123 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
32400 |
43.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
58 |
65 |
|
J |
8 |
2 |
32403 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
32400 |
42.8 |
-0.9 |
0.528 |
0 |
0 |
0 |
0.000 |
59 |
66 |
|
[MN]J:611 |
1 |
1 |
123 |
f |
J |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
32403 |
37.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.072 |
60 |
67 |
|
[MN]D:607 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
7981 |
37.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.100 |
61 |
68 |
|
G |
3 |
3 |
8842 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
8802 |
36.4 |
0.9 |
0.833 |
0 |
0 |
0 |
0.000 |
69 |
|
C |
3 |
2 |
8956 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8575 |
31.0 |
0.5 |
0.766 |
0 |
0 |
0 |
0.000 |
Average: |
33.7 |
0.7 |
0.800 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
[MN]I:610 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
32403 |
31.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.006 |
63 |
71 |
|
[MN]J:611 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
32403 |
21.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
D |
2 |
1 |
7981 |
◊ |
[MN]I:610 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
123 |
19.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
65 |
73 |
|
I |
5 |
3 |
32400 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
32403 |
19.0 |
-0.8 |
0.529 |
0 |
0 |
0 |
0.000 |
66 |
74 |
|
[MN]D:607 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8956 |
17.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
67 |
75 |
|
J |
2 |
1 |
32403 |
x |
J |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
32403 |
17.5 |
-0.4 |
0.441 |
0 |
0 |
0 |
0.000 |
68 |
76 |
|
B |
2 |
1 |
6512 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
32400 |
16.9 |
0.9 |
0.779 |
0 |
0 |
0 |
0.000 |
69 |
77 |
|
[MN]J:605 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32400 |
14.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
70 |
78 |
|
H |
2 |
2 |
8075 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
7981 |
12.8 |
0.7 |
0.848 |
0 |
0 |
0 |
0.000 |
71 |
79 |
|
[MN]I:606 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32403 |
12.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
72 |
80 |
|
[MN]D:607 |
1 |
1 |
123 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
7072 |
12.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
73 |
81 |
|
[MN]J:603 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32400 |
12.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
74 |
82 |
|
[MN]I:602 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32403 |
7.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
83 |
|
I |
3 |
1 |
32400 |
x |
I |
x-1,y,z |
1_455 |
1 |
1 |
32400 |
6.7 |
-0.2 |
0.322 |
0 |
0 |
0 |
0.000 |
76 |
84 |
|
[MN]I:604 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32403 |
4.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
77 |
85 |
|
I |
1 |
1 |
32400 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8802 |
3.4 |
0.0 |
0.477 |
0 |
0 |
0 |
0.000 |
78 |
86 |
|
[MN]J:601 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32400 |
3.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
87 |
|
J |
1 |
1 |
32403 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8802 |
0.4 |
-0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
|