| ## |
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 |
|
E |
58 |
11 |
2838 |
◊ |
B |
x,y,z |
1_555 |
53 |
11 |
2895 |
503.1 |
-5.2 |
0.665 |
24 |
0 |
0 |
1.000 |
| 2 |
2 |
|
D |
57 |
11 |
3072 |
◊ |
C |
x,y,z |
1_555 |
50 |
11 |
2899 |
501.3 |
-5.6 |
0.618 |
24 |
0 |
0 |
1.000 |
3 |
|
F |
58 |
11 |
3071 |
◊ |
A |
x,y,z |
1_555 |
52 |
11 |
2886 |
500.0 |
-5.2 |
0.633 |
24 |
0 |
0 |
1.000 |
| Average: |
500.7 |
-5.4 |
0.625 |
24 |
0 |
0 |
1.000 |
| 3 |
4 |
|
B |
49 |
7 |
2895 |
◊ |
J |
x,y,z |
1_555 |
47 |
16 |
6759 |
436.6 |
-5.7 |
0.405 |
16 |
0 |
0 |
0.105 |
5 |
|
C |
53 |
7 |
2899 |
◊ |
L |
x,y,z |
1_555 |
47 |
15 |
6839 |
430.9 |
-4.9 |
0.447 |
11 |
0 |
0 |
0.105 |
6 |
|
A |
49 |
7 |
2886 |
◊ |
H |
x,y,z |
1_555 |
43 |
13 |
6716 |
426.9 |
-5.6 |
0.385 |
11 |
0 |
0 |
0.105 |
| Average: |
431.5 |
-5.4 |
0.412 |
13 |
0 |
0 |
0.105 |
| 4 |
7 |
|
E |
43 |
6 |
2838 |
◊ |
J |
x,y,z |
1_555 |
49 |
17 |
6759 |
411.9 |
-8.9 |
0.377 |
7 |
0 |
0 |
0.099 |
| 5 |
8 |
|
F |
41 |
6 |
3071 |
◊ |
H |
x,y,z |
1_555 |
50 |
16 |
6716 |
407.6 |
-8.2 |
0.400 |
7 |
0 |
0 |
0.097 |
9 |
|
D |
42 |
7 |
3072 |
◊ |
L |
x,y,z |
1_555 |
45 |
15 |
6839 |
395.1 |
-8.9 |
0.346 |
5 |
0 |
0 |
0.097 |
| Average: |
401.4 |
-8.5 |
0.373 |
6 |
0 |
0 |
0.097 |
| 6 |
10 |
|
J |
40 |
14 |
6759 |
◊ |
I |
y,x,-z+2/3 |
7_555 |
32 |
10 |
6674 |
346.7 |
-3.9 |
0.264 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
B |
41 |
5 |
2895 |
◊ |
K |
x,y,z |
1_555 |
40 |
14 |
6761 |
346.4 |
-3.7 |
0.455 |
9 |
0 |
0 |
0.035 |
12 |
|
A |
38 |
5 |
2886 |
◊ |
I |
x,y,z |
1_555 |
45 |
16 |
6674 |
343.4 |
-4.0 |
0.440 |
8 |
0 |
0 |
0.035 |
13 |
|
C |
39 |
5 |
2899 |
◊ |
G |
-x+y,y-1,-z+1/2 |
11_545 |
42 |
15 |
6649 |
336.0 |
-3.7 |
0.473 |
9 |
0 |
0 |
0.035 |
| Average: |
341.9 |
-3.8 |
0.456 |
9 |
0 |
0 |
0.035 |
| 8 |
14 |
|
D |
27 |
3 |
3072 |
◊ |
K |
x,y,z |
1_555 |
38 |
14 |
6761 |
299.7 |
-3.7 |
0.453 |
4 |
0 |
0 |
0.000 |
15 |
|
F |
28 |
4 |
3071 |
◊ |
G |
x,y,z |
1_555 |
35 |
13 |
6649 |
292.4 |
-4.1 |
0.428 |
3 |
0 |
0 |
0.000 |
| Average: |
296.1 |
-3.9 |
0.440 |
4 |
0 |
0 |
0.000 |
| 9 |
16 |
|
H |
34 |
12 |
6716 |
◊ |
G |
x-y+1,x,z-1/6 |
6_654 |
32 |
8 |
6649 |
294.7 |
-1.7 |
0.470 |
2 |
0 |
0 |
0.000 |
| 10 |
17 |
|
F |
33 |
5 |
3071 |
◊ |
I |
x,y,z |
1_555 |
37 |
11 |
6674 |
287.6 |
-5.8 |
0.477 |
5 |
0 |
0 |
0.041 |
18 |
|
D |
33 |
5 |
3072 |
◊ |
G |
-x+y,y-1,-z+1/2 |
11_545 |
34 |
11 |
6649 |
284.1 |
-5.9 |
0.476 |
7 |
0 |
0 |
0.041 |
| Average: |
285.8 |
-5.8 |
0.477 |
6 |
0 |
0 |
0.041 |
| 11 |
19 |
|
E |
33 |
5 |
2838 |
◊ |
K |
x,y,z |
1_555 |
35 |
10 |
6761 |
286.7 |
-6.4 |
0.443 |
4 |
0 |
0 |
0.036 |
| 12 |
20 |
|
H |
29 |
8 |
6716 |
◊ |
H |
-x+y+1,y,-z+1/2 |
11_655 |
29 |
8 |
6716 |
281.4 |
2.2 |
0.797 |
8 |
8 |
0 |
0.000 |
| 13 |
21 |
|
E |
26 |
3 |
2838 |
◊ |
I |
x,y,z |
1_555 |
37 |
13 |
6674 |
281.3 |
-3.8 |
0.433 |
3 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[5IU]C:1034 |
18 |
1 |
479 |
cf |
C |
x,y,z |
1_555 |
29 |
2 |
2899 |
228.7 |
3.5 |
0.753 |
1 |
0 |
0 |
0.000 |
23 |
|
[5IU]B:1022 |
18 |
1 |
481 |
cf |
B |
x,y,z |
1_555 |
29 |
2 |
2895 |
227.1 |
3.5 |
0.753 |
1 |
0 |
0 |
0.000 |
24 |
|
[5IU]A:1010 |
18 |
1 |
480 |
cf |
A |
x,y,z |
1_555 |
29 |
2 |
2886 |
226.2 |
3.5 |
0.755 |
1 |
0 |
0 |
0.000 |
| Average: |
227.3 |
3.5 |
0.754 |
1 |
0 |
0 |
0.000 |
| 15 |
25 |
|
F |
26 |
4 |
3071 |
◊ |
J |
x,y,z |
1_555 |
30 |
7 |
6759 |
214.9 |
-2.7 |
0.485 |
1 |
0 |
0 |
0.000 |
26 |
|
D |
20 |
4 |
3072 |
◊ |
H |
-x+y,y-1,-z+1/2 |
11_545 |
25 |
6 |
6716 |
187.0 |
-1.2 |
0.544 |
3 |
0 |
0 |
0.000 |
| Average: |
201.0 |
-1.9 |
0.515 |
2 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[5IU]D:1111 |
19 |
1 |
482 |
cf |
D |
x,y,z |
1_555 |
25 |
2 |
3072 |
211.2 |
2.3 |
0.767 |
0 |
0 |
0 |
0.000 |
28 |
|
[5IU]F:1135 |
19 |
1 |
477 |
cf |
F |
x,y,z |
1_555 |
25 |
2 |
3071 |
210.0 |
2.2 |
0.762 |
0 |
0 |
0 |
0.000 |
| Average: |
210.6 |
2.3 |
0.764 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[5IU]E:1123 |
19 |
1 |
482 |
cf |
E |
x,y,z |
1_555 |
25 |
2 |
2838 |
209.0 |
2.3 |
0.783 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
K |
21 |
5 |
6761 |
◊ |
L |
x-y,x,z-1/6 |
6_554 |
20 |
7 |
6839 |
175.9 |
1.0 |
0.682 |
3 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[5IU]D:1111 |
12 |
1 |
482 |
◊ |
K |
x,y,z |
1_555 |
25 |
8 |
6761 |
167.9 |
-1.7 |
0.370 |
2 |
0 |
0 |
0.000 |
32 |
|
[5IU]E:1123 |
13 |
1 |
482 |
◊ |
I |
x,y,z |
1_555 |
24 |
7 |
6674 |
163.7 |
-2.1 |
0.365 |
2 |
0 |
0 |
0.000 |
33 |
|
[5IU]F:1135 |
12 |
1 |
477 |
◊ |
G |
x,y,z |
1_555 |
24 |
7 |
6649 |
162.4 |
-2.3 |
0.340 |
1 |
0 |
0 |
0.000 |
| Average: |
164.7 |
-2.0 |
0.358 |
2 |
0 |
0 |
0.000 |
| 20 |
34 |
|
E |
18 |
3 |
2838 |
◊ |
L |
x,y,z |
1_555 |
18 |
4 |
6839 |
139.0 |
-0.7 |
0.675 |
2 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[5IU]B:1022 |
11 |
1 |
481 |
◊ |
K |
x,y,z |
1_555 |
21 |
8 |
6761 |
135.0 |
-1.4 |
0.431 |
3 |
0 |
0 |
0.014 |
36 |
|
[5IU]C:1034 |
11 |
1 |
479 |
◊ |
G |
-x+y,y-1,-z+1/2 |
11_545 |
20 |
8 |
6649 |
133.3 |
-1.3 |
0.451 |
4 |
0 |
0 |
0.014 |
37 |
|
[5IU]A:1010 |
12 |
1 |
480 |
◊ |
I |
x,y,z |
1_555 |
20 |
8 |
6674 |
132.9 |
-1.3 |
0.463 |
3 |
0 |
0 |
0.014 |
| Average: |
133.7 |
-1.4 |
0.448 |
3 |
0 |
0 |
0.014 |
| 22 |
38 |
|
L |
15 |
5 |
6839 |
◊ |
K |
y,x,-z+2/3 |
7_555 |
10 |
3 |
6761 |
133.5 |
-0.4 |
0.486 |
2 |
0 |
0 |
0.000 |
| 23 |
39 |
|
L |
16 |
3 |
6839 |
◊ |
L |
y,x,-z+2/3 |
7_555 |
17 |
3 |
6839 |
130.8 |
1.4 |
0.749 |
2 |
2 |
0 |
0.000 |
| 24 |
40 |
|
[K]J:4005 |
1 |
1 |
216 |
f |
J |
x,y,z |
1_555 |
16 |
9 |
6759 |
119.8 |
-88.4 |
0.000 |
0 |
0 |
0 |
0.776 |
41 |
|
[K]K:4004 |
1 |
1 |
216 |
f |
K |
x,y,z |
1_555 |
16 |
8 |
6761 |
119.6 |
-87.8 |
0.000 |
0 |
0 |
0 |
0.776 |
42 |
|
[K]L:4002 |
1 |
1 |
216 |
f |
L |
x,y,z |
1_555 |
18 |
10 |
6839 |
117.3 |
-85.9 |
0.000 |
0 |
0 |
0 |
0.776 |
43 |
|
[K]G:4001 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
17 |
9 |
6649 |
117.0 |
-86.1 |
0.000 |
0 |
0 |
0 |
0.776 |
44 |
|
[K]H:4006 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
17 |
9 |
6716 |
116.5 |
-84.9 |
0.000 |
0 |
0 |
0 |
0.776 |
45 |
|
[K]I:4003 |
1 |
1 |
216 |
f |
I |
x,y,z |
1_555 |
18 |
9 |
6674 |
116.4 |
-84.6 |
0.000 |
0 |
0 |
0 |
0.776 |
| Average: |
117.8 |
-86.3 |
0.000 |
0 |
0 |
0 |
0.776 |
| 25 |
46 |
|
C |
14 |
1 |
2899 |
◊ |
A |
-x+y,y-1,-z+1/2 |
11_545 |
16 |
1 |
2886 |
118.5 |
2.0 |
0.704 |
0 |
0 |
0 |
0.000 |
47 |
|
B |
16 |
1 |
2895 |
◊ |
A |
x,y,z |
1_555 |
14 |
1 |
2886 |
117.0 |
3.1 |
0.785 |
0 |
0 |
0 |
0.000 |
48 |
|
C |
14 |
1 |
2899 |
◊ |
B |
x,y,z |
1_555 |
14 |
1 |
2895 |
116.2 |
3.1 |
0.786 |
0 |
0 |
0 |
0.000 |
| Average: |
117.2 |
2.7 |
0.758 |
0 |
0 |
0 |
0.000 |
| 26 |
49 |
|
E |
15 |
1 |
2838 |
◊ |
D |
x,y,z |
1_555 |
13 |
1 |
3072 |
102.0 |
-0.4 |
0.709 |
0 |
0 |
0 |
0.000 |
| 27 |
50 |
|
D |
15 |
1 |
3072 |
◊ |
F |
-x+y,y-1,-z+1/2 |
11_545 |
13 |
1 |
3071 |
101.0 |
-0.8 |
0.673 |
0 |
0 |
0 |
0.000 |
| 28 |
51 |
|
E |
13 |
1 |
2838 |
◊ |
F |
x,y,z |
1_555 |
15 |
1 |
3071 |
98.6 |
-0.8 |
0.681 |
0 |
0 |
0 |
0.000 |
| 29 |
52 |
|
[5IU]C:1034 |
10 |
1 |
479 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
3072 |
88.0 |
2.0 |
0.722 |
2 |
0 |
0 |
0.000 |
53 |
|
[5IU]A:1010 |
10 |
1 |
480 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
3071 |
86.8 |
2.1 |
0.723 |
2 |
0 |
0 |
0.000 |
| Average: |
87.4 |
2.1 |
0.722 |
2 |
0 |
0 |
0.000 |
| 30 |
54 |
|
[5IU]F:1135 |
11 |
1 |
477 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
2886 |
87.1 |
1.7 |
0.640 |
3 |
0 |
0 |
0.000 |
55 |
|
[5IU]E:1123 |
11 |
1 |
482 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
2895 |
86.6 |
1.8 |
0.659 |
3 |
0 |
0 |
0.000 |
56 |
|
[5IU]D:1111 |
11 |
1 |
482 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
2899 |
84.5 |
1.7 |
0.643 |
3 |
0 |
0 |
0.000 |
| Average: |
86.1 |
1.7 |
0.648 |
3 |
0 |
0 |
0.000 |
| 31 |
57 |
|
[5IU]B:1022 |
10 |
1 |
481 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
2838 |
85.6 |
2.0 |
0.718 |
2 |
0 |
0 |
0.000 |
| 32 |
58 |
|
K |
7 |
5 |
6761 |
◊ |
G |
-x+y,y-1,-z+1/2 |
11_545 |
9 |
3 |
6649 |
54.9 |
0.8 |
0.735 |
0 |
1 |
0 |
0.000 |
59 |
|
I |
8 |
3 |
6674 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
6649 |
51.8 |
0.6 |
0.709 |
0 |
0 |
0 |
0.000 |
60 |
|
K |
6 |
3 |
6761 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
6674 |
37.3 |
0.7 |
0.734 |
0 |
0 |
0 |
0.000 |
| Average: |
48.0 |
0.7 |
0.726 |
0 |
0 |
0 |
0.000 |
| 33 |
61 |
|
F |
5 |
1 |
3071 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
2895 |
39.9 |
0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
62 |
|
D |
5 |
1 |
3072 |
◊ |
A |
-x+y,y-1,-z+1/2 |
11_545 |
4 |
1 |
2886 |
38.6 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
| Average: |
39.3 |
0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
| 34 |
63 |
|
E |
6 |
1 |
2838 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
2899 |
38.2 |
0.2 |
0.603 |
0 |
0 |
0 |
0.000 |
| 35 |
64 |
|
E |
5 |
1 |
2838 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
2886 |
32.3 |
-0.0 |
0.558 |
1 |
0 |
0 |
0.000 |
| 36 |
65 |
|
D |
5 |
1 |
3072 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
2895 |
32.1 |
-0.0 |
0.557 |
1 |
0 |
0 |
0.000 |
66 |
|
C |
5 |
1 |
2899 |
◊ |
F |
-x+y,y-1,-z+1/2 |
11_545 |
6 |
1 |
3071 |
31.7 |
0.0 |
0.571 |
1 |
0 |
0 |
0.000 |
| Average: |
31.9 |
0.0 |
0.564 |
1 |
0 |
0 |
0.000 |
| 37 |
67 |
|
L |
2 |
1 |
6839 |
◊ |
H |
-x+y,y-1,-z+1/2 |
11_545 |
4 |
2 |
6716 |
19.6 |
0.5 |
0.782 |
0 |
0 |
0 |
0.000 |
| 38 |
68 |
|
B |
1 |
1 |
2895 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
6674 |
10.8 |
-0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
69 |
|
A |
1 |
1 |
2886 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
6649 |
10.6 |
-0.0 |
0.379 |
0 |
0 |
0 |
0.000 |
70 |
|
C |
1 |
1 |
2899 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
6761 |
8.9 |
-0.0 |
0.390 |
0 |
0 |
0 |
0.000 |
| Average: |
10.1 |
-0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
| 39 |
71 |
|
J |
1 |
1 |
6759 |
◊ |
J |
y,x,-z+2/3 |
7_555 |
1 |
1 |
6759 |
1.8 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
|