| ## |
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 |
233 |
62 |
15010 |
◊ |
A |
x,y,z |
1_555 |
202 |
49 |
8953 |
2199.5 |
-32.7 |
0.188 |
27 |
1 |
0 |
0.794 |
2 |
|
H |
233 |
62 |
14866 |
◊ |
D |
x,y,z |
1_555 |
206 |
49 |
8948 |
2199.0 |
-32.9 |
0.179 |
27 |
1 |
0 |
0.794 |
3 |
|
G |
230 |
62 |
14956 |
◊ |
C |
x,y,z |
1_555 |
207 |
49 |
8950 |
2197.8 |
-32.9 |
0.180 |
26 |
1 |
0 |
0.794 |
4 |
|
F |
234 |
62 |
14965 |
◊ |
B |
x,y,z |
1_555 |
202 |
49 |
8945 |
2192.6 |
-32.7 |
0.182 |
27 |
1 |
0 |
0.794 |
| Average: |
2197.2 |
-32.8 |
0.182 |
27 |
1 |
0 |
0.794 |
| 2 |
5 |
|
H |
64 |
22 |
14866 |
◊ |
F |
x,y,z |
1_555 |
52 |
17 |
14965 |
543.1 |
-6.8 |
0.355 |
1 |
0 |
0 |
0.351 |
6 |
|
F |
68 |
23 |
14965 |
◊ |
E |
x,y,z |
1_555 |
49 |
18 |
15010 |
521.5 |
-7.0 |
0.357 |
3 |
0 |
0 |
0.351 |
7 |
|
G |
45 |
17 |
14956 |
◊ |
E |
x,y,z |
1_555 |
62 |
21 |
15010 |
506.8 |
-6.9 |
0.321 |
2 |
0 |
0 |
0.351 |
8 |
|
H |
46 |
16 |
14866 |
◊ |
G |
x,y,z |
1_555 |
63 |
23 |
14956 |
496.9 |
-7.1 |
0.295 |
1 |
0 |
0 |
0.351 |
| Average: |
517.1 |
-6.9 |
0.332 |
2 |
0 |
0 |
0.351 |
| 3 |
9 |
|
G |
50 |
16 |
14956 |
◊ |
D |
x,y,z |
1_555 |
51 |
15 |
8948 |
470.5 |
-5.3 |
0.477 |
9 |
0 |
0 |
0.106 |
10 |
|
E |
51 |
16 |
15010 |
◊ |
C |
x,y,z |
1_555 |
50 |
15 |
8950 |
467.1 |
-5.3 |
0.494 |
10 |
0 |
0 |
0.106 |
11 |
|
F |
49 |
16 |
14965 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
8953 |
466.3 |
-5.3 |
0.472 |
10 |
0 |
0 |
0.106 |
12 |
|
H |
50 |
16 |
14866 |
◊ |
B |
x,y,z |
1_555 |
49 |
15 |
8945 |
466.1 |
-5.4 |
0.461 |
9 |
0 |
0 |
0.106 |
| Average: |
467.5 |
-5.3 |
0.476 |
10 |
0 |
0 |
0.106 |
| 4 |
13 |
|
G |
46 |
11 |
14956 |
◊ |
F |
x,y,z |
1_555 |
45 |
11 |
14965 |
376.5 |
-6.1 |
0.211 |
2 |
0 |
0 |
0.158 |
14 |
|
H |
46 |
11 |
14866 |
◊ |
E |
x,y,z |
1_555 |
46 |
11 |
15010 |
376.0 |
-6.0 |
0.223 |
2 |
0 |
0 |
0.158 |
| Average: |
376.3 |
-6.1 |
0.217 |
2 |
0 |
0 |
0.158 |
| 5 |
15 |
|
F |
38 |
11 |
14965 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
8950 |
328.2 |
-6.5 |
0.242 |
2 |
0 |
0 |
0.081 |
16 |
|
H |
38 |
11 |
14866 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
8953 |
327.9 |
-6.5 |
0.244 |
2 |
0 |
0 |
0.081 |
17 |
|
G |
39 |
11 |
14956 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
8945 |
326.5 |
-6.4 |
0.243 |
2 |
0 |
0 |
0.081 |
18 |
|
E |
38 |
11 |
15010 |
◊ |
D |
x,y,z |
1_555 |
33 |
10 |
8948 |
325.3 |
-6.4 |
0.248 |
2 |
0 |
0 |
0.081 |
| Average: |
327.0 |
-6.5 |
0.244 |
2 |
0 |
0 |
0.081 |
| 6 |
19 |
|
A |
20 |
7 |
8953 |
◊ |
B |
x,y-1,z |
1_545 |
23 |
6 |
8945 |
229.8 |
-0.8 |
0.617 |
4 |
4 |
0 |
0.000 |
20 |
|
A |
21 |
6 |
8953 |
◊ |
C |
x,y,z-1 |
1_554 |
20 |
7 |
8950 |
229.7 |
-0.8 |
0.597 |
4 |
4 |
0 |
0.000 |
21 |
|
B |
20 |
7 |
8945 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
6 |
8948 |
224.5 |
-0.8 |
0.613 |
5 |
4 |
0 |
0.000 |
22 |
|
C |
23 |
5 |
8950 |
◊ |
D |
x,y-1,z |
1_545 |
20 |
7 |
8948 |
222.4 |
-1.0 |
0.622 |
4 |
4 |
0 |
0.000 |
| Average: |
226.6 |
-0.8 |
0.612 |
4 |
4 |
0 |
0.000 |
| 7 |
23 |
|
A |
25 |
7 |
8953 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
5 |
8950 |
210.2 |
0.7 |
0.824 |
2 |
1 |
0 |
0.000 |
24 |
|
B |
19 |
5 |
8945 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
26 |
7 |
8948 |
208.1 |
0.6 |
0.823 |
2 |
1 |
0 |
0.000 |
25 |
|
C |
25 |
7 |
8950 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
19 |
5 |
8953 |
207.8 |
0.6 |
0.817 |
2 |
1 |
0 |
0.000 |
26 |
|
D |
19 |
5 |
8948 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
7 |
8945 |
207.1 |
0.6 |
0.816 |
2 |
1 |
0 |
0.000 |
| Average: |
208.3 |
0.6 |
0.820 |
2 |
1 |
0 |
0.000 |
| 8 |
27 |
|
G |
16 |
5 |
14956 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
17 |
5 |
8948 |
166.9 |
-2.3 |
0.407 |
1 |
0 |
0 |
0.000 |
28 |
|
E |
16 |
5 |
15010 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
5 |
8945 |
166.4 |
-2.2 |
0.417 |
1 |
0 |
0 |
0.000 |
29 |
|
A |
17 |
5 |
8953 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
14965 |
166.1 |
-2.1 |
0.412 |
1 |
0 |
0 |
0.000 |
30 |
|
C |
17 |
5 |
8950 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
15 |
4 |
14866 |
166.0 |
-2.2 |
0.400 |
1 |
0 |
0 |
0.000 |
| Average: |
166.4 |
-2.2 |
0.409 |
1 |
0 |
0 |
0.000 |
| 9 |
31 |
|
[GOL]D:201 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
24 |
6 |
8948 |
134.6 |
0.1 |
0.671 |
2 |
0 |
0 |
0.100 |
32 |
|
[GOL]A:201 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
25 |
6 |
8953 |
134.2 |
0.3 |
0.723 |
3 |
0 |
0 |
0.100 |
| Average: |
134.4 |
0.2 |
0.697 |
3 |
0 |
0 |
0.100 |
| 10 |
33 |
|
[GOL]B:201 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
6 |
8945 |
133.3 |
0.0 |
0.675 |
2 |
0 |
0 |
0.100 |
34 |
|
[GOL]C:201 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
24 |
6 |
8950 |
133.0 |
0.0 |
0.675 |
1 |
0 |
0 |
0.100 |
| Average: |
133.1 |
0.0 |
0.675 |
2 |
0 |
0 |
0.100 |
| 11 |
35 |
|
C |
15 |
6 |
8950 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
7 |
8945 |
127.6 |
-1.0 |
0.652 |
1 |
0 |
0 |
0.000 |
36 |
|
A |
17 |
7 |
8953 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
6 |
8953 |
127.4 |
-1.0 |
0.653 |
1 |
0 |
0 |
0.000 |
37 |
|
D |
15 |
6 |
8948 |
x |
D |
-x+1,y-1/2,-z+2 |
2_647 |
17 |
7 |
8948 |
127.0 |
-0.8 |
0.663 |
1 |
0 |
0 |
0.000 |
38 |
|
C |
17 |
7 |
8950 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
14 |
6 |
8945 |
124.5 |
-0.8 |
0.662 |
1 |
0 |
0 |
0.000 |
| Average: |
126.6 |
-0.9 |
0.658 |
1 |
0 |
0 |
0.000 |
| 12 |
39 |
|
E |
15 |
6 |
15010 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
8945 |
107.6 |
-3.1 |
0.167 |
0 |
0 |
0 |
0.034 |
40 |
|
F |
14 |
6 |
14965 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
8948 |
107.0 |
-3.1 |
0.157 |
0 |
0 |
0 |
0.034 |
41 |
|
G |
14 |
6 |
14956 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
8953 |
106.9 |
-3.1 |
0.159 |
0 |
0 |
0 |
0.034 |
42 |
|
H |
13 |
6 |
14866 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
8950 |
105.6 |
-3.1 |
0.153 |
0 |
0 |
0 |
0.034 |
| Average: |
106.7 |
-3.1 |
0.159 |
0 |
0 |
0 |
0.034 |
| 13 |
43 |
|
G |
14 |
5 |
14956 |
◊ |
H |
-x+2,y-1/2,-z+2 |
2_747 |
13 |
5 |
14866 |
102.0 |
-1.4 |
0.470 |
1 |
0 |
0 |
0.000 |
| 14 |
44 |
|
B |
8 |
2 |
8945 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
3 |
14866 |
77.3 |
1.0 |
0.767 |
1 |
2 |
0 |
0.000 |
45 |
|
G |
10 |
3 |
14956 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
2 |
8953 |
76.5 |
1.3 |
0.780 |
1 |
2 |
0 |
0.000 |
46 |
|
D |
8 |
2 |
8948 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
14965 |
76.3 |
1.0 |
0.773 |
1 |
2 |
0 |
0.000 |
47 |
|
E |
9 |
3 |
15010 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
2 |
8950 |
76.2 |
0.9 |
0.768 |
1 |
1 |
0 |
0.000 |
| Average: |
76.6 |
1.0 |
0.772 |
1 |
2 |
0 |
0.000 |
| 15 |
48 |
|
[CL]G:401 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
16 |
5 |
14956 |
72.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.491 |
49 |
|
[CL]F:401 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
15 |
5 |
14965 |
71.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.491 |
50 |
|
[CL]H:401 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
14866 |
71.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.491 |
51 |
|
[CL]E:401 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
15010 |
70.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.491 |
| Average: |
71.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.491 |
| 16 |
52 |
|
F |
7 |
3 |
14965 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
2 |
8948 |
65.9 |
-1.6 |
0.275 |
0 |
0 |
0 |
0.000 |
53 |
|
A |
5 |
2 |
8953 |
◊ |
G |
x,y,z-1 |
1_554 |
7 |
3 |
14956 |
65.7 |
-1.6 |
0.289 |
0 |
0 |
0 |
0.000 |
54 |
|
C |
5 |
2 |
8950 |
◊ |
H |
x,y-1,z |
1_545 |
6 |
3 |
14866 |
65.4 |
-1.6 |
0.270 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
6 |
3 |
15010 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
8945 |
64.3 |
-1.6 |
0.270 |
0 |
0 |
0 |
0.000 |
| Average: |
65.4 |
-1.6 |
0.276 |
0 |
0 |
0 |
0.000 |
| 17 |
56 |
|
D |
7 |
3 |
8948 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
8950 |
62.3 |
-2.0 |
0.190 |
0 |
0 |
0 |
0.022 |
57 |
|
C |
7 |
3 |
8950 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8953 |
62.1 |
-2.0 |
0.191 |
0 |
0 |
0 |
0.022 |
58 |
|
D |
5 |
3 |
8948 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8945 |
62.0 |
-2.0 |
0.192 |
0 |
0 |
0 |
0.022 |
59 |
|
B |
5 |
3 |
8945 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8953 |
61.4 |
-2.0 |
0.196 |
0 |
0 |
0 |
0.022 |
| Average: |
61.9 |
-2.0 |
0.192 |
0 |
0 |
0 |
0.022 |
| 18 |
60 |
|
G |
8 |
6 |
14956 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
5 |
14866 |
57.4 |
0.6 |
0.803 |
2 |
0 |
0 |
0.000 |
61 |
|
E |
7 |
5 |
15010 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
5 |
14965 |
52.7 |
0.6 |
0.803 |
2 |
0 |
0 |
0.000 |
| Average: |
55.0 |
0.6 |
0.803 |
2 |
0 |
0 |
0.000 |
| 19 |
62 |
|
E |
9 |
4 |
15010 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
8 |
4 |
14965 |
52.9 |
-0.6 |
0.562 |
0 |
0 |
0 |
0.000 |
| 20 |
63 |
|
F |
1 |
1 |
14965 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
2 |
8945 |
29.8 |
1.0 |
0.828 |
0 |
0 |
0 |
0.000 |
| 21 |
64 |
|
A |
3 |
2 |
8953 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
15010 |
25.6 |
-0.2 |
0.504 |
0 |
0 |
0 |
0.000 |
65 |
|
G |
3 |
1 |
14956 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
8945 |
25.5 |
-0.2 |
0.509 |
0 |
0 |
0 |
0.000 |
66 |
|
H |
3 |
1 |
14866 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
2 |
8948 |
25.5 |
-0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
67 |
|
C |
3 |
2 |
8950 |
◊ |
F |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
14965 |
24.3 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
| Average: |
25.2 |
-0.2 |
0.509 |
0 |
0 |
0 |
0.000 |
| 22 |
68 |
|
[GOL]D:201 |
2 |
1 |
220 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
14866 |
21.4 |
-0.3 |
0.428 |
0 |
0 |
0 |
0.005 |
69 |
|
[GOL]A:201 |
2 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
15010 |
20.7 |
-0.2 |
0.441 |
0 |
0 |
0 |
0.005 |
| Average: |
21.1 |
-0.2 |
0.435 |
0 |
0 |
0 |
0.005 |
| 23 |
70 |
|
[GOL]B:201 |
2 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
14965 |
20.9 |
-0.3 |
0.433 |
0 |
0 |
0 |
0.005 |
71 |
|
[GOL]C:201 |
2 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
14956 |
18.1 |
-0.3 |
0.384 |
0 |
0 |
0 |
0.005 |
| Average: |
19.5 |
-0.3 |
0.409 |
0 |
0 |
0 |
0.005 |
| 24 |
72 |
|
E |
1 |
1 |
15010 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
8948 |
20.4 |
0.5 |
0.436 |
0 |
0 |
0 |
0.000 |
| 25 |
73 |
|
C |
1 |
1 |
8950 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
14956 |
12.2 |
0.6 |
0.891 |
0 |
0 |
0 |
0.000 |
| 26 |
74 |
|
C |
1 |
1 |
8950 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
8948 |
10.9 |
-0.3 |
0.277 |
0 |
0 |
0 |
0.000 |
75 |
|
A |
1 |
1 |
8953 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
8945 |
10.2 |
-0.3 |
0.290 |
0 |
0 |
0 |
0.000 |
| Average: |
10.5 |
-0.3 |
0.283 |
0 |
0 |
0 |
0.000 |
| 27 |
76 |
|
[CL]H:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8945 |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
77 |
|
[CL]E:401 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8950 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
78 |
|
[CL]G:401 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8948 |
3.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
79 |
|
[CL]F:401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8953 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
3.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 28 |
80 |
|
F |
1 |
1 |
14965 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
8948 |
3.2 |
0.2 |
0.795 |
0 |
0 |
0 |
0.000 |
81 |
|
C |
1 |
1 |
8950 |
◊ |
E |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
15010 |
3.1 |
0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
82 |
|
A |
1 |
1 |
8953 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
14956 |
2.9 |
0.1 |
0.788 |
0 |
0 |
0 |
0.000 |
83 |
|
H |
1 |
1 |
14866 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
8945 |
2.8 |
0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
| Average: |
3.0 |
0.1 |
0.790 |
0 |
0 |
0 |
0.000 |
| 29 |
84 |
|
A |
1 |
1 |
8953 |
◊ |
H |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
14866 |
1.0 |
0.0 |
0.747 |
0 |
0 |
0 |
0.000 |
|