| ## |
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 |
180 |
54 |
12271 |
◊ |
C |
x,y,z |
1_555 |
185 |
51 |
11233 |
1639.2 |
-25.8 |
0.166 |
11 |
4 |
1 |
1.000 |
2 |
|
B |
177 |
48 |
11266 |
◊ |
A |
x,y,z |
1_555 |
190 |
53 |
11403 |
1611.5 |
-26.5 |
0.074 |
7 |
2 |
1 |
1.000 |
3 |
|
F |
170 |
48 |
10954 |
◊ |
E |
x,y,z |
1_555 |
177 |
49 |
11320 |
1565.4 |
-22.2 |
0.118 |
8 |
4 |
0 |
1.000 |
4 |
|
J |
176 |
50 |
10908 |
◊ |
I |
x,y,z |
1_555 |
185 |
52 |
11513 |
1563.8 |
-22.8 |
0.094 |
7 |
2 |
0 |
1.000 |
5 |
|
H |
173 |
48 |
10412 |
◊ |
G |
x,y,z |
1_555 |
178 |
51 |
10856 |
1532.4 |
-23.0 |
0.194 |
9 |
2 |
0 |
1.000 |
6 |
|
P |
172 |
49 |
10991 |
◊ |
O |
x,y,z |
1_555 |
174 |
51 |
10759 |
1516.1 |
-24.8 |
0.075 |
6 |
1 |
0 |
1.000 |
| Average: |
1571.4 |
-24.2 |
0.120 |
8 |
3 |
0 |
1.000 |
| 2 |
7 |
|
N |
168 |
47 |
10819 |
◊ |
M |
x,y,z |
1_555 |
176 |
52 |
11195 |
1497.7 |
-22.3 |
0.136 |
6 |
3 |
0 |
1.000 |
8 |
|
L |
171 |
49 |
10956 |
◊ |
K |
x,y,z |
1_555 |
180 |
52 |
11220 |
1497.2 |
-20.8 |
0.187 |
7 |
3 |
0 |
1.000 |
| Average: |
1497.5 |
-21.5 |
0.162 |
7 |
3 |
0 |
1.000 |
| 3 |
9 |
|
J |
62 |
18 |
10908 |
◊ |
D |
x,y,z |
1_555 |
63 |
20 |
12271 |
577.9 |
-1.5 |
0.793 |
3 |
1 |
0 |
0.000 |
| 4 |
10 |
|
N |
46 |
13 |
10819 |
◊ |
B |
-x-2,y-1/2,-z-1 |
2_344 |
42 |
14 |
11266 |
430.4 |
1.1 |
0.839 |
3 |
0 |
0 |
0.000 |
11 |
|
L |
42 |
14 |
10956 |
◊ |
P |
x,y,z |
1_555 |
44 |
13 |
10991 |
389.2 |
-1.4 |
0.672 |
6 |
0 |
0 |
0.000 |
| Average: |
409.8 |
-0.1 |
0.755 |
5 |
0 |
0 |
0.000 |
| 5 |
12 |
|
C |
45 |
17 |
11233 |
◊ |
A |
-x-2,y-1/2,-z-1 |
2_344 |
42 |
13 |
11403 |
383.3 |
-2.9 |
0.585 |
0 |
0 |
0 |
0.000 |
| 6 |
13 |
|
N |
46 |
20 |
10819 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
46 |
23 |
10954 |
372.3 |
-1.2 |
0.695 |
0 |
0 |
0 |
0.000 |
| 7 |
14 |
|
P |
45 |
14 |
10991 |
◊ |
I |
x,y,z |
1_555 |
40 |
8 |
11513 |
368.8 |
-0.3 |
0.727 |
1 |
4 |
0 |
0.000 |
| 8 |
15 |
|
I |
37 |
14 |
11513 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
11403 |
366.4 |
-2.6 |
0.501 |
3 |
0 |
0 |
0.000 |
16 |
|
O |
37 |
13 |
10759 |
◊ |
G |
x,y,z |
1_555 |
34 |
12 |
10856 |
361.9 |
-2.6 |
0.562 |
3 |
0 |
0 |
0.000 |
| Average: |
364.1 |
-2.6 |
0.531 |
3 |
0 |
0 |
0.000 |
| 9 |
17 |
|
L |
43 |
17 |
10956 |
◊ |
D |
x,y,z |
1_555 |
39 |
19 |
12271 |
365.4 |
1.2 |
0.846 |
1 |
0 |
0 |
0.000 |
| 10 |
18 |
|
M |
41 |
15 |
11195 |
◊ |
E |
x,y,z |
1_555 |
40 |
15 |
11320 |
316.5 |
3.5 |
0.946 |
6 |
8 |
0 |
0.000 |
19 |
|
C |
37 |
14 |
11233 |
◊ |
K |
-x-2,y-1/2,-z |
2_345 |
38 |
13 |
11220 |
306.5 |
4.1 |
0.975 |
3 |
8 |
0 |
0.000 |
| Average: |
311.5 |
3.8 |
0.960 |
5 |
8 |
0 |
0.000 |
| 11 |
20 |
|
C |
36 |
9 |
11233 |
◊ |
O |
-x-1,y-1/2,-z |
2_445 |
39 |
9 |
10759 |
298.0 |
-1.7 |
0.658 |
1 |
0 |
0 |
0.000 |
21 |
|
E |
35 |
9 |
11320 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
35 |
9 |
11403 |
287.1 |
-2.0 |
0.546 |
0 |
0 |
0 |
0.000 |
| Average: |
292.6 |
-1.8 |
0.602 |
1 |
0 |
0 |
0.000 |
| 12 |
22 |
|
I |
36 |
10 |
11513 |
◊ |
E |
x,y,z |
1_555 |
29 |
8 |
11320 |
290.7 |
3.8 |
0.920 |
4 |
7 |
0 |
0.000 |
23 |
|
C |
28 |
7 |
11233 |
◊ |
G |
x-1,y,z |
1_455 |
33 |
11 |
10856 |
257.8 |
2.8 |
0.919 |
1 |
7 |
0 |
0.000 |
| Average: |
274.3 |
3.3 |
0.919 |
3 |
7 |
0 |
0.000 |
| 13 |
24 |
|
H |
34 |
14 |
10412 |
◊ |
J |
-x-1,y-1/2,-z |
2_445 |
29 |
10 |
10908 |
285.2 |
-0.9 |
0.616 |
0 |
3 |
0 |
0.000 |
| 14 |
25 |
|
G |
39 |
9 |
10856 |
◊ |
K |
-x-1,y-1/2,-z |
2_445 |
36 |
9 |
11220 |
282.4 |
-1.7 |
0.655 |
1 |
0 |
0 |
0.000 |
26 |
|
M |
30 |
8 |
11195 |
◊ |
I |
x,y,z |
1_555 |
33 |
9 |
11513 |
252.0 |
-1.5 |
0.588 |
1 |
0 |
0 |
0.000 |
| Average: |
267.2 |
-1.6 |
0.621 |
1 |
0 |
0 |
0.000 |
| 15 |
27 |
|
K |
24 |
7 |
11220 |
◊ |
O |
x-1,y,z |
1_455 |
37 |
10 |
10759 |
267.3 |
3.2 |
0.910 |
1 |
6 |
0 |
0.000 |
28 |
|
M |
24 |
7 |
11195 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
35 |
10 |
11403 |
256.6 |
2.9 |
0.904 |
2 |
7 |
0 |
0.000 |
| Average: |
261.9 |
3.1 |
0.907 |
2 |
7 |
0 |
0.000 |
| 16 |
29 |
|
G |
25 |
5 |
10856 |
◊ |
L |
-x-1,y-1/2,-z |
2_445 |
33 |
10 |
10956 |
244.2 |
-0.3 |
0.758 |
0 |
0 |
0 |
0.000 |
30 |
|
N |
29 |
7 |
10819 |
◊ |
I |
x,y,z |
1_555 |
22 |
5 |
11513 |
226.8 |
-0.5 |
0.689 |
1 |
0 |
0 |
0.000 |
| Average: |
235.5 |
-0.4 |
0.724 |
1 |
0 |
0 |
0.000 |
| 17 |
31 |
|
E |
27 |
5 |
11320 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
31 |
7 |
11266 |
242.0 |
-0.7 |
0.691 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
28 |
7 |
12271 |
◊ |
O |
-x-1,y-1/2,-z |
2_445 |
23 |
5 |
10759 |
235.0 |
-0.3 |
0.753 |
1 |
0 |
0 |
0.000 |
33 |
|
F |
29 |
8 |
10954 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
24 |
5 |
11403 |
234.6 |
-0.5 |
0.732 |
1 |
0 |
0 |
0.000 |
34 |
|
C |
23 |
5 |
11233 |
◊ |
P |
-x-1,y-1/2,-z |
2_445 |
30 |
7 |
10991 |
232.6 |
-0.0 |
0.798 |
0 |
0 |
0 |
0.000 |
| Average: |
236.1 |
-0.4 |
0.744 |
1 |
0 |
0 |
0.000 |
| 18 |
35 |
|
M |
25 |
5 |
11195 |
◊ |
J |
x,y,z |
1_555 |
29 |
7 |
10908 |
237.3 |
-0.7 |
0.718 |
1 |
0 |
0 |
0.000 |
36 |
|
H |
30 |
8 |
10412 |
◊ |
K |
-x-1,y-1/2,-z |
2_445 |
24 |
5 |
11220 |
225.8 |
-0.8 |
0.724 |
2 |
0 |
0 |
0.000 |
| Average: |
231.5 |
-0.7 |
0.721 |
2 |
0 |
0 |
0.000 |
| 19 |
37 |
|
L |
21 |
9 |
10956 |
◊ |
G |
x-1,y,z |
1_455 |
27 |
9 |
10856 |
228.7 |
-0.9 |
0.569 |
0 |
0 |
0 |
0.000 |
38 |
|
N |
22 |
8 |
10819 |
◊ |
I |
-x-1,y-1/2,-z-1 |
2_444 |
24 |
8 |
11513 |
206.8 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
| Average: |
217.8 |
-0.4 |
0.627 |
0 |
0 |
0 |
0.000 |
| 20 |
39 |
|
N |
24 |
9 |
10819 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
12271 |
193.5 |
-1.7 |
0.497 |
1 |
0 |
0 |
0.000 |
| 21 |
40 |
|
G |
18 |
7 |
10856 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
23 |
8 |
11266 |
176.7 |
-0.6 |
0.577 |
0 |
0 |
0 |
0.000 |
| 22 |
41 |
|
H |
20 |
7 |
10412 |
◊ |
L |
-x-1,y-1/2,-z |
2_445 |
21 |
6 |
10956 |
175.9 |
2.1 |
0.913 |
0 |
0 |
0 |
0.000 |
42 |
|
N |
23 |
7 |
10819 |
◊ |
J |
x,y,z |
1_555 |
21 |
8 |
10908 |
166.8 |
2.4 |
0.931 |
4 |
0 |
0 |
0.000 |
| Average: |
171.3 |
2.2 |
0.922 |
2 |
0 |
0 |
0.000 |
| 23 |
43 |
|
F |
20 |
6 |
10954 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
6 |
11266 |
173.1 |
2.1 |
0.904 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
18 |
5 |
12271 |
◊ |
P |
-x-1,y-1/2,-z |
2_445 |
19 |
6 |
10991 |
166.0 |
2.2 |
0.924 |
0 |
0 |
0 |
0.000 |
| Average: |
169.5 |
2.1 |
0.914 |
0 |
0 |
0 |
0.000 |
| 24 |
45 |
|
B |
15 |
5 |
11266 |
◊ |
F |
x-1,y,z |
1_455 |
20 |
8 |
10954 |
169.5 |
0.4 |
0.707 |
1 |
0 |
0 |
0.000 |
| 25 |
46 |
|
L |
26 |
10 |
10956 |
◊ |
I |
x,y,z |
1_555 |
15 |
5 |
11513 |
154.1 |
1.5 |
0.804 |
1 |
0 |
0 |
0.000 |
| 26 |
47 |
|
P |
10 |
4 |
10991 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
12271 |
137.8 |
0.2 |
0.709 |
1 |
0 |
0 |
0.000 |
| 27 |
48 |
|
M |
13 |
4 |
11195 |
◊ |
J |
-x-2,y-1/2,-z-1 |
2_344 |
15 |
6 |
10908 |
125.4 |
-0.3 |
0.628 |
0 |
0 |
0 |
0.000 |
| 28 |
49 |
|
J |
10 |
3 |
10908 |
◊ |
F |
x-1,y,z |
1_455 |
15 |
6 |
10954 |
112.4 |
-1.0 |
0.482 |
0 |
0 |
0 |
0.000 |
50 |
|
H |
10 |
2 |
10412 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
12271 |
104.0 |
0.6 |
0.756 |
2 |
0 |
0 |
0.000 |
| Average: |
108.2 |
-0.2 |
0.619 |
1 |
0 |
0 |
0.000 |
| 29 |
51 |
|
[EDO]I:301 |
4 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
16 |
8 |
11513 |
111.8 |
4.2 |
0.537 |
1 |
0 |
0 |
0.000 |
| 30 |
52 |
|
E |
9 |
2 |
11320 |
◊ |
P |
x,y,z-1 |
1_554 |
18 |
7 |
10991 |
111.3 |
0.5 |
0.770 |
0 |
0 |
0 |
0.000 |
| 31 |
53 |
|
E |
9 |
3 |
11320 |
◊ |
H |
x,y,z-1 |
1_554 |
12 |
5 |
10412 |
106.9 |
-2.0 |
0.288 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
B |
14 |
7 |
11266 |
◊ |
E |
x-1,y,z |
1_455 |
9 |
3 |
11320 |
106.6 |
2.1 |
0.901 |
0 |
1 |
0 |
0.000 |
| 33 |
55 |
|
D |
11 |
4 |
12271 |
◊ |
B |
-x-2,y-1/2,-z-1 |
2_344 |
16 |
6 |
11266 |
101.9 |
-1.2 |
0.400 |
0 |
0 |
0 |
0.000 |
| 34 |
56 |
|
B |
10 |
4 |
11266 |
◊ |
K |
x,y,z-1 |
1_554 |
16 |
6 |
11220 |
97.5 |
-1.7 |
0.318 |
1 |
0 |
0 |
0.000 |
| 35 |
57 |
|
K |
12 |
6 |
11220 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
10412 |
96.2 |
-0.7 |
0.560 |
0 |
0 |
0 |
0.000 |
| 36 |
58 |
|
A |
10 |
3 |
11403 |
◊ |
K |
x,y,z-1 |
1_554 |
7 |
1 |
11220 |
67.8 |
-1.8 |
0.222 |
0 |
0 |
0 |
0.000 |
| 37 |
59 |
|
P |
13 |
5 |
10991 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
11233 |
56.9 |
-0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
| 38 |
60 |
|
J |
4 |
1 |
10908 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11266 |
35.1 |
-0.5 |
0.467 |
0 |
0 |
0 |
0.000 |
61 |
|
P |
1 |
1 |
10991 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
10412 |
13.5 |
0.2 |
0.789 |
0 |
0 |
0 |
0.000 |
| Average: |
24.3 |
-0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 39 |
62 |
|
O |
3 |
1 |
10759 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
11513 |
26.8 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
| 40 |
63 |
|
C |
2 |
2 |
11233 |
◊ |
B |
-x-2,y-1/2,-z-1 |
2_344 |
1 |
1 |
11266 |
19.2 |
-1.0 |
0.058 |
0 |
0 |
0 |
0.000 |
| 41 |
64 |
|
H |
2 |
1 |
10412 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
4 |
2 |
11513 |
18.9 |
-0.1 |
0.481 |
0 |
0 |
0 |
0.000 |
| 42 |
65 |
|
D |
2 |
1 |
12271 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
10954 |
11.1 |
-0.2 |
0.456 |
0 |
0 |
0 |
0.000 |
| 43 |
66 |
|
M |
2 |
1 |
11195 |
◊ |
J |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
10908 |
10.1 |
-0.3 |
0.304 |
0 |
0 |
0 |
0.000 |
| 44 |
67 |
|
K |
2 |
1 |
11220 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12271 |
5.6 |
-0.2 |
0.477 |
0 |
0 |
0 |
0.000 |
| 45 |
68 |
|
[EDO]I:301 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
11403 |
0.3 |
0.0 |
0.807 |
0 |
0 |
0 |
0.000 |
|