## |
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 |
92 |
13 |
3549 |
◊ |
A |
x,y,z |
1_555 |
107 |
34 |
12329 |
890.7 |
-5.8 |
0.849 |
14 |
0 |
0 |
0.341 |
2 |
|
H |
95 |
13 |
3532 |
◊ |
B |
x,y,z |
1_555 |
105 |
33 |
12801 |
881.7 |
-5.2 |
0.821 |
13 |
0 |
0 |
0.341 |
Average: |
886.2 |
-5.5 |
0.835 |
14 |
0 |
0 |
0.341 |
2 |
3 |
|
E |
76 |
11 |
3372 |
◊ |
B |
x,y,z |
1_555 |
86 |
29 |
12801 |
673.0 |
-6.6 |
0.579 |
9 |
0 |
0 |
0.595 |
3 |
4 |
|
C |
78 |
11 |
3091 |
◊ |
A |
x,y,z |
1_555 |
85 |
29 |
12329 |
651.7 |
-4.1 |
0.664 |
9 |
0 |
0 |
0.507 |
4 |
5 |
|
J |
68 |
11 |
2727 |
◊ |
B |
x,y,z |
1_555 |
81 |
25 |
12801 |
640.2 |
-6.6 |
0.597 |
11 |
0 |
0 |
0.158 |
6 |
|
K |
68 |
11 |
2707 |
◊ |
A |
x,y,z |
1_555 |
72 |
23 |
12329 |
587.7 |
-5.4 |
0.662 |
10 |
0 |
0 |
0.158 |
Average: |
614.0 |
-6.0 |
0.630 |
11 |
0 |
0 |
0.158 |
5 |
7 |
|
K |
55 |
11 |
2707 |
◊ |
D |
x,y,z |
1_555 |
64 |
13 |
3549 |
532.7 |
-8.8 |
0.670 |
29 |
0 |
0 |
0.782 |
8 |
|
J |
54 |
11 |
2727 |
◊ |
H |
x,y,z |
1_555 |
59 |
13 |
3532 |
530.3 |
-8.4 |
0.615 |
28 |
0 |
0 |
0.782 |
Average: |
531.5 |
-8.6 |
0.643 |
29 |
0 |
0 |
0.782 |
6 |
9 |
|
B |
59 |
11 |
12801 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
59 |
11 |
12329 |
473.9 |
-6.1 |
0.233 |
2 |
0 |
0 |
0.015 |
7 |
10 |
|
I |
53 |
9 |
2199 |
◊ |
E |
x,y,z |
1_555 |
54 |
13 |
3372 |
460.1 |
-8.3 |
0.543 |
28 |
0 |
0 |
0.874 |
8 |
11 |
|
L |
48 |
9 |
2234 |
◊ |
C |
x,y,z |
1_555 |
54 |
12 |
3091 |
459.0 |
-6.4 |
0.613 |
25 |
0 |
0 |
0.844 |
9 |
12 |
|
B |
54 |
17 |
12801 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
12329 |
437.9 |
-2.4 |
0.415 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
I |
34 |
6 |
2199 |
◊ |
B |
x,y,z |
1_555 |
44 |
15 |
12801 |
328.9 |
-0.9 |
0.779 |
5 |
0 |
0 |
0.134 |
14 |
|
L |
34 |
5 |
2234 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
12329 |
305.1 |
-4.3 |
0.598 |
1 |
0 |
0 |
0.134 |
Average: |
317.0 |
-2.6 |
0.688 |
3 |
0 |
0 |
0.134 |
11 |
15 |
|
B |
28 |
9 |
12801 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
8 |
12329 |
231.7 |
-0.6 |
0.477 |
3 |
0 |
0 |
0.000 |
12 |
16 |
|
E |
27 |
5 |
3372 |
◊ |
H |
x,y,z |
1_555 |
29 |
5 |
3532 |
219.7 |
-4.3 |
0.547 |
6 |
0 |
0 |
0.092 |
13 |
17 |
|
D |
30 |
5 |
3549 |
◊ |
C |
x,y,z |
1_555 |
27 |
5 |
3091 |
216.1 |
-4.7 |
0.564 |
7 |
0 |
0 |
0.106 |
14 |
18 |
|
E |
15 |
2 |
3372 |
◊ |
J |
x,y-1,z |
1_545 |
13 |
3 |
2727 |
116.2 |
1.1 |
0.678 |
2 |
0 |
0 |
0.000 |
15 |
19 |
|
E |
10 |
2 |
3372 |
◊ |
H |
x,y-1,z |
1_545 |
8 |
2 |
3532 |
85.7 |
-0.7 |
0.502 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
I |
12 |
1 |
2199 |
◊ |
J |
x,y-1,z |
1_545 |
11 |
1 |
2727 |
82.6 |
-0.3 |
0.658 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
J |
13 |
1 |
2727 |
◊ |
E |
x,y,z |
1_555 |
13 |
1 |
3372 |
74.7 |
1.5 |
0.787 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
D |
12 |
1 |
3549 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
1 |
3091 |
74.3 |
1.4 |
0.776 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
K |
13 |
1 |
2707 |
◊ |
C |
x,y,z |
1_555 |
12 |
1 |
3091 |
73.5 |
1.6 |
0.796 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
I |
9 |
1 |
2199 |
◊ |
H |
x,y-1,z |
1_545 |
13 |
1 |
3532 |
71.8 |
0.9 |
0.747 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
L |
14 |
1 |
2234 |
◊ |
D |
x,y,z |
1_555 |
14 |
1 |
3549 |
70.4 |
0.8 |
0.815 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
I |
15 |
1 |
2199 |
◊ |
H |
x,y,z |
1_555 |
12 |
1 |
3532 |
69.7 |
0.8 |
0.799 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
K |
8 |
1 |
2707 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
2 |
3091 |
68.7 |
2.8 |
0.824 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
D |
10 |
2 |
3549 |
◊ |
L |
x-1,y,z |
1_455 |
9 |
1 |
2234 |
67.5 |
0.6 |
0.702 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
L |
10 |
2 |
2234 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
12329 |
60.6 |
-1.5 |
0.274 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
E |
9 |
3 |
3372 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
4 |
12329 |
54.9 |
-2.4 |
0.363 |
1 |
0 |
0 |
0.006 |
27 |
31 |
|
K |
7 |
1 |
2707 |
◊ |
L |
x-1,y,z |
1_455 |
6 |
1 |
2234 |
53.0 |
-0.5 |
0.582 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[MN]A:1528 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
12329 |
47.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.185 |
33 |
|
[MN]B:1529 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
12801 |
43.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.185 |
Average: |
45.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.185 |
29 |
34 |
|
[MN]H:1017 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
10 |
3 |
3532 |
43.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.134 |
35 |
|
[MN]D:1017 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
3549 |
38.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.134 |
Average: |
41.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.134 |
30 |
36 |
|
[MN]B:1531 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
12801 |
38.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.160 |
37 |
|
[MN]A:1529 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12329 |
38.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
38.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.160 |
31 |
38 |
|
D |
6 |
2 |
3549 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
12329 |
37.2 |
0.1 |
0.654 |
1 |
0 |
0 |
0.000 |
32 |
39 |
|
J |
7 |
2 |
2727 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
12801 |
34.6 |
-0.6 |
0.584 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[MN]D:1017 |
1 |
1 |
123 |
◊ |
K |
x,y,z |
1_555 |
7 |
1 |
2707 |
30.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.100 |
41 |
|
[MN]H:1017 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
9 |
1 |
2727 |
29.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
29.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.100 |
34 |
42 |
|
E |
4 |
2 |
3372 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
12801 |
30.3 |
-1.7 |
0.201 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[MN]B:1529 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
2727 |
28.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.064 |
44 |
|
[MN]A:1528 |
1 |
1 |
123 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
2707 |
26.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.064 |
45 |
|
[MN]A:1527 |
1 |
1 |
123 |
◊ |
K |
x,y,z |
1_555 |
5 |
1 |
2707 |
20.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.064 |
46 |
|
[MN]B:1530 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
2727 |
20.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
24.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.064 |
36 |
47 |
|
B |
6 |
3 |
12801 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
3091 |
28.1 |
-1.4 |
0.342 |
1 |
0 |
0 |
0.004 |
37 |
48 |
|
[MN]B:1531 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
5 |
1 |
2199 |
27.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.080 |
49 |
|
[MN]A:1529 |
1 |
1 |
123 |
◊ |
L |
x,y,z |
1_555 |
5 |
1 |
2234 |
26.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
26.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.080 |
38 |
50 |
|
[MN]H:1017 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
3372 |
26.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.018 |
39 |
51 |
|
[MN]B:1531 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
3372 |
25.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.123 |
40 |
52 |
|
[MN]A:1529 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
3091 |
24.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.134 |
41 |
53 |
|
[MN]B:1530 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
12801 |
24.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.044 |
54 |
|
[MN]A:1527 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
12329 |
23.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
23.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.044 |
42 |
55 |
|
[MN]D:1017 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
3091 |
24.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
43 |
56 |
|
C |
5 |
3 |
3091 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
12329 |
21.8 |
-1.3 |
0.349 |
0 |
0 |
0 |
0.000 |
44 |
57 |
|
[MN]A:1527 |
1 |
1 |
123 |
f |
L |
x,y,z |
1_555 |
4 |
1 |
2234 |
21.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.100 |
58 |
|
[MN]B:1530 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
4 |
1 |
2199 |
21.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
21.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.100 |
45 |
59 |
|
[MN]A:1527 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
3091 |
20.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.060 |
46 |
60 |
|
D |
5 |
2 |
3549 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
12329 |
20.3 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
47 |
61 |
|
[MN]B:1530 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
3372 |
20.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.049 |
48 |
62 |
|
[MN]A:1527 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
3549 |
18.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.055 |
63 |
|
[MN]B:1530 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
3532 |
18.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.055 |
64 |
|
[MN]B:1529 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
6 |
1 |
3532 |
15.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
17.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.055 |
49 |
65 |
|
[MN]A:1528 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
3549 |
14.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.027 |
50 |
66 |
|
H |
2 |
2 |
3532 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
12801 |
14.3 |
-0.8 |
0.435 |
0 |
0 |
0 |
0.000 |
51 |
67 |
|
[MN]B:1530 |
1 |
1 |
123 |
◊ |
[MN]B:1529 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.039 |
52 |
68 |
|
[MN]A:1529 |
1 |
1 |
123 |
◊ |
[MN]A:1527 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.033 |
53 |
69 |
|
[MN]A:1528 |
1 |
1 |
123 |
◊ |
[MN]A:1527 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.033 |
54 |
70 |
|
[MN]B:1531 |
1 |
1 |
123 |
◊ |
[MN]B:1530 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.036 |
55 |
71 |
|
I |
1 |
1 |
2199 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12329 |
11.3 |
-0.8 |
0.283 |
0 |
0 |
0 |
0.000 |
56 |
72 |
|
A |
4 |
1 |
12329 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
12329 |
10.7 |
-0.3 |
0.485 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
I |
3 |
1 |
2199 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
12801 |
7.5 |
-0.2 |
0.366 |
0 |
0 |
0 |
0.000 |
58 |
74 |
|
J |
1 |
1 |
2727 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
2199 |
7.1 |
-0.7 |
0.269 |
0 |
0 |
0 |
0.010 |
59 |
75 |
|
[MN]D:1017 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12329 |
6.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
60 |
76 |
|
K |
1 |
1 |
2707 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
2234 |
6.2 |
-0.6 |
0.276 |
0 |
0 |
0 |
0.008 |
61 |
77 |
|
[MN]B:1529 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
3372 |
5.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.019 |
62 |
78 |
|
[MN]A:1528 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3091 |
3.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.015 |
63 |
79 |
|
[MN]D:1017 |
1 |
1 |
123 |
◊ |
[MN]A:1527 |
x,y,z |
1_555 |
1 |
1 |
123 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
64 |
80 |
|
[MN]B:1531 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
3532 |
2.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
81 |
|
[MN]A:1529 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
3549 |
2.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
65 |
82 |
|
[MN]H:1017 |
1 |
1 |
123 |
◊ |
[MN]B:1529 |
x,y,z |
1_555 |
1 |
1 |
123 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
66 |
83 |
|
[MN]H:1017 |
1 |
1 |
123 |
◊ |
[MN]B:1530 |
x,y,z |
1_555 |
1 |
1 |
123 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
67 |
84 |
|
[MN]D:1017 |
1 |
1 |
123 |
◊ |
[MN]A:1528 |
x,y,z |
1_555 |
1 |
1 |
123 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
|