| ## |
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 |
|
A |
183 |
57 |
11389 |
◊ |
B |
x,y,z |
1_555 |
184 |
53 |
11603 |
1733.3 |
-25.7 |
0.087 |
13 |
2 |
0 |
0.972 |
2 |
|
G |
181 |
53 |
11495 |
◊ |
H |
x,y,z |
1_555 |
175 |
50 |
11193 |
1685.1 |
-23.7 |
0.075 |
14 |
2 |
0 |
0.972 |
3 |
|
C |
177 |
53 |
11336 |
◊ |
D |
x,y,z |
1_555 |
177 |
51 |
10968 |
1678.5 |
-24.6 |
0.062 |
13 |
2 |
0 |
0.972 |
4 |
|
E |
178 |
52 |
11490 |
◊ |
F |
x,y,z |
1_555 |
176 |
51 |
11355 |
1645.2 |
-25.6 |
0.062 |
11 |
0 |
0 |
0.972 |
| Average: |
1685.5 |
-24.9 |
0.072 |
13 |
2 |
0 |
0.972 |
| 2 |
5 |
|
H |
95 |
36 |
11193 |
◊ |
F |
x,y,z |
1_555 |
99 |
36 |
11355 |
926.7 |
-11.0 |
0.361 |
10 |
1 |
0 |
0.803 |
6 |
|
D |
96 |
34 |
10968 |
◊ |
B |
x,y,z |
1_555 |
100 |
34 |
11603 |
916.3 |
-10.4 |
0.415 |
8 |
0 |
0 |
0.803 |
| Average: |
921.5 |
-10.7 |
0.388 |
9 |
1 |
0 |
0.803 |
| 3 |
7 |
|
G |
31 |
8 |
11495 |
◊ |
C |
-x+3,y-1/2,-z+2 |
2_847 |
33 |
9 |
11336 |
317.9 |
1.1 |
0.759 |
6 |
0 |
0 |
0.000 |
| 4 |
8 |
|
A |
29 |
10 |
11389 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
26 |
12 |
11355 |
228.8 |
-1.0 |
0.562 |
1 |
0 |
0 |
0.000 |
9 |
|
B |
28 |
11 |
11603 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
28 |
11 |
11490 |
221.1 |
-1.4 |
0.568 |
1 |
0 |
0 |
0.000 |
| Average: |
224.9 |
-1.2 |
0.565 |
1 |
0 |
0 |
0.000 |
| 5 |
10 |
|
G |
22 |
9 |
11495 |
◊ |
A |
x-1,y,z-1 |
1_454 |
23 |
8 |
11389 |
223.5 |
-2.7 |
0.300 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
B |
23 |
8 |
11603 |
◊ |
F |
-x+3,y-1/2,-z+2 |
2_847 |
23 |
8 |
11355 |
221.7 |
-0.8 |
0.702 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
E |
25 |
6 |
11490 |
◊ |
D |
x,y,z |
1_555 |
28 |
10 |
10968 |
214.1 |
1.1 |
0.853 |
2 |
0 |
0 |
0.000 |
13 |
|
G |
24 |
6 |
11495 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
11603 |
205.4 |
0.9 |
0.801 |
1 |
0 |
0 |
0.000 |
14 |
|
C |
22 |
6 |
11336 |
◊ |
F |
x,y,z |
1_555 |
23 |
9 |
11355 |
202.2 |
0.7 |
0.771 |
2 |
0 |
0 |
0.000 |
15 |
|
A |
21 |
5 |
11389 |
◊ |
H |
x,y,z |
1_555 |
21 |
9 |
11193 |
174.8 |
0.3 |
0.777 |
3 |
0 |
0 |
0.000 |
| Average: |
199.1 |
0.8 |
0.800 |
2 |
0 |
0 |
0.000 |
| 8 |
16 |
|
D |
23 |
8 |
10968 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
9 |
11603 |
213.9 |
-1.0 |
0.701 |
2 |
0 |
0 |
0.000 |
17 |
|
H |
24 |
8 |
11193 |
◊ |
F |
x-1,y,z |
1_455 |
25 |
8 |
11355 |
179.9 |
-1.2 |
0.659 |
1 |
0 |
0 |
0.000 |
| Average: |
196.9 |
-1.1 |
0.680 |
2 |
0 |
0 |
0.000 |
| 9 |
18 |
|
E |
22 |
9 |
11490 |
◊ |
C |
x,y,z-1 |
1_554 |
25 |
9 |
11336 |
204.2 |
-3.6 |
0.220 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
C |
24 |
8 |
11336 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
11389 |
195.0 |
0.3 |
0.685 |
2 |
4 |
0 |
0.013 |
20 |
|
G |
22 |
9 |
11495 |
◊ |
E |
x,y,z |
1_555 |
25 |
9 |
11490 |
184.2 |
0.7 |
0.731 |
1 |
5 |
0 |
0.013 |
| Average: |
189.6 |
0.5 |
0.708 |
2 |
5 |
0 |
0.013 |
| 11 |
21 |
|
H |
21 |
8 |
11193 |
◊ |
G |
x-1,y,z |
1_455 |
16 |
8 |
11495 |
194.4 |
-0.4 |
0.519 |
2 |
0 |
0 |
0.000 |
22 |
|
A |
19 |
7 |
11389 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
6 |
11603 |
177.1 |
-0.7 |
0.604 |
5 |
0 |
0 |
0.000 |
23 |
|
D |
20 |
7 |
10968 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
6 |
11336 |
176.5 |
-0.5 |
0.574 |
3 |
0 |
0 |
0.000 |
24 |
|
E |
17 |
7 |
11490 |
◊ |
F |
x-1,y,z |
1_455 |
21 |
8 |
11355 |
167.6 |
-0.8 |
0.563 |
2 |
0 |
0 |
0.000 |
| Average: |
178.9 |
-0.6 |
0.565 |
3 |
0 |
0 |
0.000 |
| 12 |
25 |
|
[GOL]C:301 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
21 |
6 |
11336 |
122.4 |
-0.7 |
0.519 |
5 |
0 |
0 |
0.076 |
| 13 |
26 |
|
B |
15 |
4 |
11603 |
x |
B |
x-1,y,z |
1_455 |
15 |
5 |
11603 |
115.6 |
1.8 |
0.916 |
1 |
1 |
0 |
0.000 |
27 |
|
F |
5 |
2 |
11355 |
x |
F |
x-1,y,z |
1_455 |
2 |
1 |
11355 |
24.1 |
-0.5 |
0.417 |
0 |
0 |
0 |
0.000 |
28 |
|
H |
4 |
2 |
11193 |
x |
H |
x-1,y,z |
1_455 |
3 |
2 |
11193 |
19.1 |
-0.5 |
0.408 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
1 |
1 |
10968 |
x |
D |
x-1,y,z |
1_455 |
2 |
2 |
10968 |
1.0 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
| Average: |
39.9 |
0.2 |
0.579 |
0 |
0 |
0 |
0.000 |
| 14 |
30 |
|
[GOL]A:301 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
11389 |
114.5 |
-0.2 |
0.595 |
3 |
0 |
0 |
0.060 |
| 15 |
31 |
|
A |
14 |
5 |
11389 |
◊ |
E |
-x+3,y-1/2,-z+2 |
2_847 |
12 |
4 |
11490 |
108.4 |
0.5 |
0.744 |
2 |
0 |
0 |
0.000 |
| 16 |
32 |
|
[GOL]F:301 |
6 |
1 |
215 |
f |
H |
x,y,z |
1_555 |
18 |
10 |
11193 |
104.2 |
-0.7 |
0.565 |
2 |
0 |
0 |
0.083 |
| 17 |
33 |
|
[GOL]B:301 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
11603 |
99.0 |
-0.9 |
0.494 |
1 |
0 |
0 |
0.075 |
| 18 |
34 |
|
[GOL]A:302 |
6 |
1 |
223 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
11193 |
98.8 |
-0.4 |
0.563 |
2 |
0 |
0 |
0.067 |
| 19 |
35 |
|
A |
10 |
3 |
11389 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
11 |
3 |
11490 |
97.2 |
0.6 |
0.766 |
1 |
0 |
0 |
0.000 |
| 20 |
36 |
|
[GOL]B:301 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
10968 |
94.8 |
-0.7 |
0.529 |
2 |
0 |
0 |
0.091 |
| 21 |
37 |
|
[GOL]E:301 |
5 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
11490 |
90.0 |
0.4 |
0.668 |
2 |
0 |
0 |
0.100 |
| 22 |
38 |
|
[GOL]C:304 |
6 |
1 |
211 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
11336 |
90.0 |
0.5 |
0.738 |
1 |
0 |
0 |
0.000 |
| 23 |
39 |
|
[GOL]A:303 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11389 |
89.4 |
0.3 |
0.662 |
3 |
0 |
0 |
0.040 |
| 24 |
40 |
|
[GOL]G:302 |
6 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
11495 |
87.3 |
-0.4 |
0.538 |
1 |
0 |
0 |
0.032 |
| 25 |
41 |
|
[GOL]G:301 |
5 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
13 |
4 |
11495 |
79.3 |
-0.7 |
0.436 |
0 |
0 |
0 |
0.028 |
| 26 |
42 |
|
[GOL]C:302 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
11336 |
75.2 |
-0.1 |
0.576 |
2 |
0 |
0 |
0.027 |
| 27 |
43 |
|
[GOL]F:301 |
6 |
1 |
215 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
11355 |
73.9 |
-0.7 |
0.526 |
1 |
0 |
0 |
0.056 |
| 28 |
44 |
|
[GOL]C:303 |
4 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
11336 |
73.2 |
0.3 |
0.659 |
2 |
0 |
0 |
0.016 |
| 29 |
45 |
|
A |
10 |
4 |
11389 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
10968 |
70.5 |
0.3 |
0.730 |
1 |
0 |
0 |
0.001 |
46 |
|
E |
10 |
4 |
11490 |
◊ |
H |
x,y,z |
1_555 |
6 |
1 |
11193 |
70.3 |
0.3 |
0.723 |
1 |
0 |
0 |
0.001 |
47 |
|
C |
10 |
4 |
11336 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
11603 |
69.1 |
0.5 |
0.748 |
1 |
0 |
0 |
0.001 |
48 |
|
G |
8 |
4 |
11495 |
◊ |
F |
x,y,z |
1_555 |
7 |
1 |
11355 |
67.1 |
0.5 |
0.755 |
0 |
0 |
0 |
0.001 |
| Average: |
69.3 |
0.4 |
0.739 |
1 |
0 |
0 |
0.001 |
| 30 |
49 |
|
F |
8 |
5 |
11355 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
10968 |
66.6 |
2.2 |
0.941 |
0 |
0 |
0 |
0.000 |
50 |
|
H |
4 |
2 |
11193 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
11603 |
44.8 |
1.9 |
0.959 |
0 |
0 |
0 |
0.000 |
| Average: |
55.7 |
2.0 |
0.950 |
0 |
0 |
0 |
0.000 |
| 31 |
51 |
|
[GOL]C:305 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
11336 |
64.8 |
-0.4 |
0.562 |
1 |
0 |
0 |
0.021 |
| 32 |
52 |
|
[GOL]G:302 |
5 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
11193 |
63.3 |
0.1 |
0.673 |
2 |
0 |
0 |
0.021 |
| 33 |
53 |
|
[GOL]E:301 |
6 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
11355 |
58.6 |
0.1 |
0.658 |
1 |
0 |
0 |
0.012 |
| 34 |
54 |
|
[GOL]A:303 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11603 |
58.0 |
0.3 |
0.685 |
1 |
0 |
0 |
0.003 |
| 35 |
55 |
|
[GOL]C:304 |
4 |
1 |
211 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
10968 |
57.0 |
-0.5 |
0.585 |
0 |
0 |
0 |
0.031 |
| 36 |
56 |
|
[GOL]A:302 |
5 |
1 |
223 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
11389 |
55.0 |
-1.1 |
0.367 |
0 |
0 |
0 |
0.000 |
| 37 |
57 |
|
[GOL]G:303 |
3 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
10 |
3 |
11495 |
45.8 |
-0.7 |
0.455 |
1 |
0 |
0 |
0.041 |
| 38 |
58 |
|
[GOL]C:301 |
3 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
10968 |
44.4 |
-0.3 |
0.539 |
0 |
0 |
0 |
0.007 |
| 39 |
59 |
|
D |
8 |
3 |
10968 |
◊ |
[GOL]C:303 |
x-1,y,z |
1_455 |
4 |
1 |
220 |
36.6 |
0.3 |
0.701 |
1 |
0 |
0 |
0.000 |
| 40 |
60 |
|
[GOL]A:301 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11603 |
28.7 |
-0.2 |
0.559 |
1 |
0 |
0 |
0.018 |
| 41 |
61 |
|
[GOL]A:301 |
3 |
1 |
219 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
11490 |
28.2 |
0.1 |
0.590 |
1 |
0 |
0 |
0.000 |
| 42 |
62 |
|
[GOL]G:303 |
3 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
11193 |
21.0 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.002 |
| 43 |
63 |
|
F |
2 |
1 |
11355 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11603 |
20.1 |
0.2 |
0.488 |
0 |
0 |
0 |
0.000 |
| 44 |
64 |
|
B |
1 |
1 |
11603 |
◊ |
E |
-x+3,y-1/2,-z+2 |
2_847 |
3 |
1 |
11490 |
19.7 |
0.4 |
0.801 |
0 |
0 |
0 |
0.000 |
65 |
|
A |
3 |
1 |
11389 |
◊ |
F |
-x+3,y-1/2,-z+2 |
2_847 |
1 |
1 |
11355 |
17.6 |
0.4 |
0.824 |
0 |
0 |
0 |
0.000 |
| Average: |
18.7 |
0.4 |
0.813 |
0 |
0 |
0 |
0.000 |
| 45 |
66 |
|
[GOL]C:305 |
2 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
10968 |
15.5 |
-0.4 |
0.536 |
0 |
0 |
0 |
0.011 |
| 46 |
67 |
|
[GOL]A:301 |
1 |
1 |
219 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
11355 |
12.3 |
-0.4 |
0.326 |
0 |
0 |
0 |
0.000 |
| 47 |
68 |
|
G |
1 |
1 |
11495 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
11336 |
5.4 |
0.3 |
0.808 |
0 |
0 |
0 |
0.000 |
| 48 |
69 |
|
[GOL]G:301 |
2 |
1 |
218 |
◊ |
C |
-x+3,y-1/2,-z+2 |
2_847 |
1 |
1 |
11336 |
4.4 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
| 49 |
70 |
|
[GOL]C:303 |
1 |
1 |
220 |
f |
[GOL]C:302 |
x,y,z |
1_555 |
2 |
1 |
219 |
1.5 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
|