## |
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 |
|
G |
208 |
57 |
12534 |
◊ |
B |
x,y,z |
1_555 |
215 |
57 |
11473 |
1929.0 |
-26.8 |
0.091 |
26 |
6 |
1 |
0.815 |
2 |
|
E |
211 |
59 |
12865 |
◊ |
D |
x,y,z |
1_555 |
209 |
58 |
11616 |
1918.5 |
-27.2 |
0.056 |
23 |
6 |
1 |
0.815 |
Average: |
1923.7 |
-27.0 |
0.074 |
25 |
6 |
1 |
0.815 |
2 |
3 |
|
H |
127 |
31 |
6423 |
◊ |
A |
x,y,z |
1_555 |
130 |
39 |
14711 |
1144.2 |
-8.0 |
0.288 |
13 |
3 |
0 |
0.747 |
4 |
|
F |
120 |
28 |
6169 |
◊ |
C |
x,y,z |
1_555 |
128 |
39 |
14545 |
1135.2 |
-7.4 |
0.397 |
14 |
4 |
0 |
0.747 |
Average: |
1139.7 |
-7.7 |
0.342 |
14 |
4 |
0 |
0.747 |
3 |
5 |
|
E |
87 |
30 |
12865 |
◊ |
A |
x,y,z |
1_555 |
81 |
29 |
14711 |
722.2 |
-7.0 |
0.309 |
5 |
2 |
0 |
0.099 |
4 |
6 |
|
B |
60 |
16 |
11473 |
◊ |
A |
x,y,z |
1_555 |
69 |
17 |
14711 |
595.1 |
-1.5 |
0.660 |
10 |
2 |
0 |
0.082 |
7 |
|
D |
61 |
15 |
11616 |
◊ |
C |
x,y,z |
1_555 |
70 |
18 |
14545 |
587.6 |
-2.2 |
0.609 |
11 |
2 |
0 |
0.082 |
Average: |
591.3 |
-1.9 |
0.635 |
11 |
2 |
0 |
0.082 |
5 |
8 |
|
G |
63 |
18 |
12534 |
◊ |
A |
x,y,z |
1_555 |
68 |
18 |
14711 |
565.5 |
-5.2 |
0.385 |
5 |
0 |
0 |
0.088 |
9 |
|
E |
60 |
17 |
12865 |
◊ |
C |
x,y,z |
1_555 |
66 |
15 |
14545 |
556.4 |
-4.0 |
0.420 |
9 |
0 |
0 |
0.088 |
Average: |
561.0 |
-4.6 |
0.403 |
7 |
0 |
0 |
0.088 |
6 |
10 |
|
A |
54 |
15 |
14711 |
◊ |
C |
-x+1/2,y-1/2,-z+3 |
4_548 |
63 |
14 |
14545 |
542.5 |
-2.7 |
0.221 |
3 |
2 |
0 |
0.039 |
7 |
11 |
|
B |
59 |
17 |
11473 |
◊ |
C |
-x,y,-z+3 |
2_558 |
45 |
12 |
14545 |
469.5 |
-5.9 |
0.129 |
7 |
0 |
0 |
0.000 |
12 |
|
D |
59 |
16 |
11616 |
◊ |
A |
-x+1/2,y-1/2,-z+3 |
4_548 |
42 |
12 |
14711 |
464.7 |
-6.4 |
0.116 |
7 |
0 |
0 |
0.000 |
Average: |
467.1 |
-6.2 |
0.122 |
7 |
0 |
0 |
0.000 |
8 |
13 |
|
H |
33 |
13 |
6423 |
◊ |
C |
-x+1/2,y-1/2,-z+3 |
4_548 |
36 |
12 |
14545 |
284.7 |
-0.5 |
0.537 |
3 |
0 |
0 |
0.017 |
9 |
14 |
|
E |
32 |
10 |
12865 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
11473 |
253.4 |
-1.7 |
0.494 |
2 |
0 |
0 |
0.023 |
10 |
15 |
|
D |
25 |
8 |
11616 |
x |
D |
-x+1/2,y-1/2,-z+3 |
4_548 |
34 |
10 |
11616 |
244.2 |
1.2 |
0.824 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[7WP]C:301 |
13 |
1 |
332 |
cf |
C |
x,y,z |
1_555 |
40 |
14 |
14545 |
236.9 |
1.6 |
0.525 |
0 |
0 |
0 |
0.000 |
17 |
|
[7WP]A:301 |
13 |
1 |
331 |
cf |
A |
x,y,z |
1_555 |
39 |
14 |
14711 |
233.6 |
2.0 |
0.546 |
0 |
0 |
0 |
0.000 |
Average: |
235.3 |
1.8 |
0.536 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
D |
21 |
5 |
11616 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
14711 |
178.0 |
-1.2 |
0.374 |
1 |
2 |
0 |
0.020 |
13 |
19 |
|
C |
18 |
5 |
14545 |
◊ |
G |
x-1/2,y+1/2,z-1 |
3_454 |
16 |
6 |
12534 |
135.1 |
0.3 |
0.706 |
5 |
0 |
0 |
0.018 |
14 |
20 |
|
[GOL]C:305 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
14545 |
113.7 |
-0.6 |
0.543 |
4 |
0 |
0 |
0.123 |
15 |
21 |
|
[GOL]A:302 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
21 |
4 |
14711 |
113.4 |
-0.9 |
0.458 |
1 |
0 |
0 |
0.072 |
16 |
22 |
|
[GOL]C:303 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
20 |
4 |
14545 |
107.9 |
-0.9 |
0.469 |
0 |
0 |
0 |
0.047 |
17 |
23 |
|
[GOL]E:301 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
14711 |
105.7 |
-0.8 |
0.496 |
4 |
0 |
0 |
0.134 |
18 |
24 |
|
D |
12 |
5 |
11616 |
◊ |
E |
-x+1/2,y-1/2,-z+3 |
4_548 |
12 |
4 |
12865 |
103.5 |
-0.8 |
0.497 |
0 |
1 |
0 |
0.000 |
19 |
25 |
|
[GOL]H:102 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
14711 |
100.9 |
-0.3 |
0.555 |
0 |
0 |
0 |
0.010 |
20 |
26 |
|
[GOL]H:101 |
5 |
1 |
223 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
6423 |
95.5 |
-0.2 |
0.525 |
5 |
0 |
0 |
0.086 |
21 |
27 |
|
[GOL]B:301 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
11473 |
92.7 |
0.3 |
0.681 |
2 |
0 |
0 |
0.005 |
22 |
28 |
|
H |
15 |
7 |
6423 |
◊ |
[GOL]C:302 |
-x+1/2,y-1/2,-z+3 |
4_548 |
6 |
1 |
218 |
85.4 |
0.4 |
0.625 |
3 |
0 |
0 |
0.008 |
23 |
29 |
|
[GOL]C:302 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
14545 |
82.0 |
0.1 |
0.577 |
3 |
0 |
0 |
0.064 |
24 |
30 |
|
[ACT]D:301 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
11616 |
79.6 |
-1.4 |
0.468 |
0 |
0 |
0 |
0.100 |
25 |
31 |
|
[ACT]F:101 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
14545 |
76.7 |
-0.7 |
0.606 |
0 |
0 |
0 |
0.039 |
26 |
32 |
|
[GOL]B:301 |
5 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
12865 |
75.8 |
-0.1 |
0.554 |
3 |
0 |
0 |
0.026 |
27 |
33 |
|
[ACT]F:101 |
3 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
6169 |
74.1 |
-0.8 |
0.577 |
1 |
0 |
0 |
0.100 |
28 |
34 |
|
[GOL]H:102 |
4 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
14 |
5 |
6423 |
69.8 |
0.5 |
0.654 |
2 |
0 |
0 |
0.014 |
29 |
35 |
|
[GOL]E:301 |
5 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
12865 |
69.6 |
0.3 |
0.669 |
2 |
0 |
0 |
0.006 |
30 |
36 |
|
E |
9 |
4 |
12865 |
◊ |
C |
-x,y,-z+3 |
2_558 |
9 |
3 |
14545 |
69.0 |
-1.4 |
0.293 |
0 |
0 |
0 |
0.013 |
31 |
37 |
|
[GOL]C:304 |
6 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
14545 |
67.8 |
1.2 |
0.736 |
3 |
0 |
0 |
0.001 |
32 |
38 |
|
[NA]E:302 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
12865 |
66.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.185 |
39 |
|
[NA]G:301 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
12534 |
65.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.185 |
Average: |
65.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.185 |
33 |
40 |
|
[NA]H:103 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
6423 |
64.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.328 |
34 |
41 |
|
[GOL]H:101 |
4 |
1 |
223 |
◊ |
C |
-x+1/2,y-1/2,-z+3 |
4_548 |
7 |
3 |
14545 |
58.2 |
0.0 |
0.621 |
1 |
0 |
0 |
0.004 |
35 |
42 |
|
[GOL]C:304 |
5 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
12865 |
54.1 |
0.8 |
0.767 |
4 |
0 |
0 |
0.017 |
36 |
43 |
|
[GOL]A:302 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11473 |
52.4 |
-0.1 |
0.491 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[GOL]C:303 |
5 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11616 |
47.5 |
0.1 |
0.578 |
1 |
0 |
0 |
0.004 |
38 |
45 |
|
E |
7 |
2 |
12865 |
x |
E |
-x+1/2,y-1/2,-z+3 |
4_548 |
4 |
1 |
12865 |
47.4 |
-0.4 |
0.402 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
F |
8 |
2 |
6169 |
◊ |
B |
-x,y,-z+3 |
2_558 |
4 |
2 |
11473 |
44.2 |
1.3 |
0.867 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
[ACT]D:301 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
14545 |
43.5 |
0.6 |
0.803 |
1 |
0 |
0 |
0.000 |
41 |
48 |
|
D |
5 |
2 |
11616 |
◊ |
H |
-x+1/2,y-1/2,-z+3 |
4_548 |
8 |
3 |
6423 |
41.2 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
H |
6 |
2 |
6423 |
◊ |
F |
-x+1/2,y-1/2,-z+3 |
4_548 |
2 |
1 |
6169 |
31.0 |
-0.4 |
0.275 |
0 |
0 |
0 |
0.004 |
43 |
50 |
|
[GOL]B:301 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14711 |
26.1 |
-0.5 |
0.210 |
0 |
0 |
0 |
0.005 |
44 |
51 |
|
H |
1 |
1 |
6423 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
12865 |
23.0 |
0.9 |
0.762 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[ACT]D:301 |
3 |
1 |
182 |
◊ |
[GOL]C:303 |
x,y,z |
1_555 |
2 |
1 |
221 |
21.6 |
-0.1 |
0.633 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[7WP]A:301 |
5 |
1 |
331 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11473 |
19.0 |
0.3 |
0.410 |
0 |
0 |
0 |
0.000 |
54 |
|
[7WP]C:301 |
4 |
1 |
332 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11616 |
17.1 |
0.2 |
0.402 |
0 |
0 |
0 |
0.000 |
Average: |
18.1 |
0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
47 |
55 |
|
H |
4 |
3 |
6423 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11616 |
18.4 |
0.8 |
0.815 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
[GOL]H:101 |
2 |
1 |
223 |
◊ |
[GOL]C:302 |
-x+1/2,y-1/2,-z+3 |
4_548 |
1 |
1 |
218 |
17.2 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
H |
3 |
1 |
6423 |
◊ |
[GOL]C:305 |
-x+1/2,y-1/2,-z+3 |
4_548 |
2 |
1 |
218 |
11.8 |
-0.0 |
0.492 |
0 |
0 |
0 |
0.000 |
|