## |
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 |
335 |
85 |
22813 |
◊ |
B |
x-y,-y+1,-z |
8_565 |
342 |
84 |
22903 |
3300.9 |
-32.4 |
0.044 |
24 |
20 |
0 |
0.256 |
2 |
2 |
|
B |
73 |
18 |
22903 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
67 |
19 |
22813 |
573.9 |
-2.7 |
0.507 |
6 |
5 |
0 |
0.000 |
3 |
3 |
|
B |
42 |
12 |
22903 |
◊ |
A |
x,y,z |
1_555 |
53 |
16 |
22813 |
435.6 |
-4.2 |
0.302 |
1 |
2 |
0 |
0.000 |
4 |
4 |
|
[GDP]C:600 |
28 |
1 |
554 |
f |
A |
x,y,z |
1_555 |
54 |
24 |
22813 |
384.4 |
-8.0 |
0.518 |
16 |
0 |
0 |
0.155 |
5 |
|
[GDP]D:600 |
28 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
54 |
25 |
22903 |
356.0 |
-7.0 |
0.520 |
13 |
0 |
0 |
0.155 |
Average: |
370.2 |
-7.5 |
0.519 |
15 |
0 |
0 |
0.155 |
5 |
6 |
|
B |
29 |
12 |
22903 |
◊ |
B |
-y+1,-x+1,-z+1/6 |
10_665 |
29 |
12 |
22903 |
245.1 |
-5.7 |
0.076 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
[NAG]E:1 |
14 |
1 |
367 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
22813 |
184.3 |
3.5 |
0.315 |
3 |
0 |
0 |
0.000 |
8 |
|
[NAG]F:1 |
14 |
1 |
365 |
◊ |
B |
x,y,z |
1_555 |
22 |
11 |
22903 |
153.8 |
2.7 |
0.275 |
3 |
0 |
0 |
0.000 |
Average: |
169.0 |
3.1 |
0.295 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
[NAG]E:5 |
13 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
22813 |
184.0 |
4.2 |
0.392 |
3 |
0 |
0 |
0.000 |
10 |
|
[NAG]F:5 |
13 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
27 |
11 |
22903 |
181.4 |
3.6 |
0.360 |
1 |
0 |
0 |
0.000 |
Average: |
182.7 |
3.9 |
0.376 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[NAG]E:2 |
13 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
33 |
13 |
22813 |
182.6 |
4.5 |
0.516 |
2 |
0 |
0 |
0.000 |
12 |
|
[NAG]F:2 |
12 |
1 |
365 |
◊ |
B |
x,y,z |
1_555 |
29 |
12 |
22903 |
158.5 |
4.2 |
0.469 |
1 |
0 |
0 |
0.000 |
Average: |
170.6 |
4.4 |
0.493 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[NAG]E:8 |
11 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
22813 |
133.7 |
2.6 |
0.301 |
2 |
0 |
0 |
0.000 |
14 |
|
[NAG]F:8 |
11 |
1 |
367 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
22903 |
113.1 |
1.5 |
0.235 |
3 |
0 |
0 |
0.000 |
Average: |
123.4 |
2.0 |
0.268 |
3 |
0 |
0 |
0.000 |
10 |
15 |
|
[MAN]E:7 |
8 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
22813 |
123.2 |
1.5 |
0.322 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[MAN]F:7 |
7 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
22903 |
107.3 |
1.4 |
0.357 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[NAG]F:6 |
10 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
22813 |
105.2 |
1.7 |
0.217 |
3 |
0 |
0 |
0.000 |
13 |
18 |
|
[GOL]B:751 |
6 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
22903 |
101.7 |
-0.4 |
0.560 |
3 |
0 |
0 |
0.010 |
14 |
19 |
|
[MAN]E:4 |
6 |
1 |
295 |
cf |
[NAG]E:6 |
x,y,z |
1_555 |
9 |
1 |
362 |
75.3 |
1.8 |
0.115 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[MAN]F:4 |
5 |
1 |
297 |
cf |
[NAG]F:6 |
x,y,z |
1_555 |
9 |
1 |
359 |
74.5 |
2.4 |
0.159 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[CL]A:604 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
22813 |
72.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.122 |
22 |
|
[CL]B:601 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
22903 |
70.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
71.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.122 |
17 |
23 |
|
[MAN]F:4 |
8 |
1 |
297 |
cf |
[NAG]F:5 |
x,y,z |
1_555 |
7 |
1 |
362 |
69.8 |
2.8 |
0.167 |
0 |
0 |
0 |
0.000 |
24 |
|
[MAN]E:4 |
7 |
1 |
295 |
cf |
[NAG]E:5 |
x,y,z |
1_555 |
7 |
1 |
360 |
67.6 |
2.4 |
0.169 |
0 |
0 |
0 |
0.000 |
Average: |
68.7 |
2.6 |
0.168 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[NAG]E:1 |
7 |
1 |
367 |
cf |
C |
x,y,z |
1_555 |
6 |
1 |
269 |
68.7 |
2.2 |
0.323 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[BMA]F:3 |
8 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
22903 |
68.6 |
1.3 |
0.328 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[MAN]F:7 |
6 |
1 |
295 |
cf |
[NAG]F:8 |
x,y,z |
1_555 |
8 |
1 |
367 |
68.3 |
3.6 |
0.274 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[NAG]F:2 |
10 |
1 |
365 |
cf |
[NAG]F:1 |
x,y,z |
1_555 |
6 |
1 |
365 |
67.9 |
1.3 |
0.075 |
2 |
0 |
0 |
0.000 |
22 |
29 |
|
[BMA]E:3 |
9 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
22813 |
67.2 |
1.3 |
0.315 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[CL]A:605 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
22813 |
67.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.056 |
24 |
31 |
|
[MAN]E:7 |
4 |
1 |
294 |
cf |
[NAG]E:8 |
x,y,z |
1_555 |
8 |
1 |
360 |
66.7 |
3.2 |
0.276 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[MAN]E:4 |
6 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
22813 |
62.8 |
1.8 |
0.493 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[NAG]E:2 |
9 |
1 |
359 |
cf |
[NAG]E:1 |
x,y,z |
1_555 |
7 |
1 |
367 |
62.5 |
1.1 |
0.077 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[CL]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
22813 |
60.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.042 |
28 |
35 |
|
[CL]B:604 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
22903 |
58.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.040 |
29 |
36 |
|
[NAG]F:1 |
8 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
6 |
1 |
257 |
57.7 |
1.8 |
0.260 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[MAN]F:4 |
6 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
22903 |
57.1 |
1.7 |
0.500 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[MAN]F:7 |
7 |
1 |
295 |
cf |
[BMA]F:3 |
x,y,z |
1_555 |
5 |
1 |
288 |
55.7 |
2.3 |
0.217 |
1 |
0 |
0 |
0.000 |
32 |
39 |
|
[MAN]E:7 |
8 |
1 |
294 |
cf |
[BMA]E:3 |
x,y,z |
1_555 |
4 |
1 |
289 |
55.7 |
2.1 |
0.220 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[NAG]F:6 |
3 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
22903 |
54.8 |
1.8 |
0.665 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[CL]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22813 |
54.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.040 |
35 |
42 |
|
[CL]A:606 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22813 |
54.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.079 |
43 |
|
[CL]B:606 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
22903 |
49.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
51.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.079 |
36 |
44 |
|
[CL]B:602 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
22903 |
53.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.043 |
37 |
45 |
|
[MAN]E:4 |
6 |
1 |
295 |
cf |
[BMA]E:3 |
x,y,z |
1_555 |
5 |
1 |
289 |
53.3 |
2.3 |
0.278 |
0 |
0 |
0 |
0.000 |
46 |
|
[MAN]F:4 |
7 |
1 |
297 |
cf |
[BMA]F:3 |
x,y,z |
1_555 |
6 |
1 |
288 |
53.0 |
2.4 |
0.223 |
0 |
0 |
0 |
0.000 |
Average: |
53.1 |
2.3 |
0.251 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
D |
6 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
22903 |
52.7 |
0.9 |
0.588 |
1 |
0 |
0 |
0.000 |
39 |
48 |
|
[CL]B:603 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
22903 |
52.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.078 |
49 |
|
[CL]A:603 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
22813 |
51.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
51.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.078 |
40 |
50 |
|
D |
4 |
1 |
257 |
◊ |
B |
-y+1,-x+1,-z+1/6 |
10_665 |
3 |
1 |
22903 |
51.5 |
-0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
41 |
51 |
|
[BMA]F:3 |
7 |
1 |
288 |
cf |
[NAG]F:2 |
x,y,z |
1_555 |
5 |
1 |
365 |
48.2 |
1.0 |
0.109 |
0 |
0 |
0 |
0.000 |
52 |
|
[BMA]E:3 |
6 |
1 |
289 |
cf |
[NAG]E:2 |
x,y,z |
1_555 |
7 |
1 |
359 |
47.1 |
1.0 |
0.112 |
0 |
0 |
0 |
0.000 |
Average: |
47.7 |
1.0 |
0.110 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
[CL]B:605 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
22903 |
46.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.031 |
43 |
54 |
|
[GDP]D:600 |
6 |
1 |
553 |
f |
[GOL]B:751 |
x,y,z |
1_555 |
5 |
1 |
213 |
44.2 |
-2.2 |
0.439 |
0 |
0 |
0 |
0.012 |
44 |
55 |
|
[NAG]F:8 |
3 |
1 |
367 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
269 |
40.3 |
0.5 |
0.275 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
[BMA]F:3 |
5 |
1 |
288 |
f |
[NAG]F:8 |
x,y,z |
1_555 |
4 |
1 |
367 |
39.0 |
1.6 |
0.231 |
0 |
0 |
0 |
0.000 |
57 |
|
[BMA]E:3 |
5 |
1 |
289 |
f |
[NAG]E:8 |
x,y,z |
1_555 |
4 |
1 |
360 |
38.4 |
1.6 |
0.228 |
0 |
0 |
0 |
0.000 |
Average: |
38.7 |
1.6 |
0.229 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
[NAG]F:8 |
3 |
1 |
367 |
f |
[NAG]F:2 |
x,y,z |
1_555 |
5 |
1 |
365 |
37.7 |
1.7 |
0.263 |
0 |
0 |
0 |
0.000 |
47 |
59 |
|
[CL]A:607 |
1 |
1 |
125 |
f |
B |
x-y,-y+1,-z |
8_565 |
7 |
5 |
22903 |
37.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.026 |
48 |
60 |
|
[NAG]F:1 |
4 |
1 |
365 |
◊ |
[GOL]B:751 |
x,y,z |
1_555 |
4 |
1 |
213 |
34.1 |
0.3 |
0.366 |
0 |
0 |
0 |
0.000 |
49 |
61 |
|
[CL]A:607 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22813 |
33.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.012 |
50 |
62 |
|
[NAG]E:6 |
3 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
22813 |
32.8 |
1.4 |
0.625 |
0 |
0 |
0 |
0.000 |
51 |
63 |
|
[NAG]E:8 |
1 |
1 |
360 |
f |
[NAG]E:2 |
x,y,z |
1_555 |
5 |
1 |
359 |
29.5 |
1.4 |
0.334 |
0 |
0 |
0 |
0.000 |
52 |
64 |
|
C |
3 |
1 |
269 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22813 |
29.2 |
0.3 |
0.575 |
1 |
0 |
0 |
0.000 |
53 |
65 |
|
[NAG]F:6 |
2 |
1 |
359 |
f |
[NAG]F:5 |
x,y,z |
1_555 |
4 |
1 |
362 |
26.7 |
1.4 |
0.340 |
0 |
0 |
0 |
0.000 |
54 |
66 |
|
[NAG]F:1 |
1 |
1 |
365 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
22813 |
26.2 |
1.0 |
0.758 |
0 |
0 |
0 |
0.000 |
55 |
67 |
|
[NAG]E:1 |
2 |
1 |
367 |
◊ |
[GDP]C:600 |
x,y,z |
1_555 |
4 |
1 |
554 |
25.5 |
-0.8 |
0.400 |
0 |
0 |
0 |
0.000 |
68 |
|
[NAG]F:1 |
2 |
1 |
365 |
◊ |
[GDP]D:600 |
x,y,z |
1_555 |
3 |
1 |
553 |
18.9 |
-0.6 |
0.396 |
0 |
0 |
0 |
0.000 |
Average: |
22.2 |
-0.7 |
0.398 |
0 |
0 |
0 |
0.000 |
56 |
69 |
|
[GOL]B:751 |
3 |
1 |
213 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
257 |
24.2 |
0.3 |
0.477 |
1 |
0 |
0 |
0.000 |
57 |
70 |
|
C |
3 |
1 |
269 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
22903 |
24.2 |
0.4 |
0.607 |
0 |
0 |
0 |
0.000 |
58 |
71 |
|
[MAN]F:4 |
3 |
1 |
297 |
f |
[NAG]F:2 |
x,y,z |
1_555 |
3 |
1 |
365 |
23.2 |
0.7 |
0.263 |
0 |
0 |
0 |
0.000 |
59 |
72 |
|
[BMA]E:3 |
3 |
1 |
289 |
f |
[NAG]E:5 |
x,y,z |
1_555 |
3 |
1 |
360 |
23.1 |
0.9 |
0.289 |
0 |
0 |
0 |
0.000 |
73 |
|
[BMA]F:3 |
3 |
1 |
288 |
f |
[NAG]F:5 |
x,y,z |
1_555 |
4 |
1 |
362 |
22.1 |
1.0 |
0.245 |
0 |
0 |
0 |
0.000 |
Average: |
22.6 |
1.0 |
0.267 |
0 |
0 |
0 |
0.000 |
60 |
74 |
|
[MAN]E:4 |
3 |
1 |
295 |
f |
[NAG]E:2 |
x,y,z |
1_555 |
2 |
1 |
359 |
18.9 |
0.7 |
0.338 |
0 |
0 |
0 |
0.000 |
61 |
75 |
|
D |
3 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
22813 |
14.3 |
-0.0 |
0.433 |
0 |
0 |
0 |
0.000 |
62 |
76 |
|
[NAG]E:6 |
1 |
1 |
362 |
f |
[NAG]E:5 |
x,y,z |
1_555 |
2 |
1 |
360 |
8.5 |
0.4 |
0.382 |
0 |
0 |
0 |
0.000 |
63 |
77 |
|
[MAN]F:7 |
1 |
1 |
295 |
f |
[NAG]F:2 |
x,y,z |
1_555 |
1 |
1 |
365 |
5.9 |
0.3 |
0.197 |
0 |
0 |
0 |
0.000 |
64 |
78 |
|
[MAN]F:7 |
1 |
1 |
295 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
269 |
4.8 |
0.0 |
0.256 |
0 |
0 |
0 |
0.000 |
65 |
79 |
|
[MAN]F:4 |
1 |
1 |
297 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22813 |
4.1 |
-0.1 |
0.339 |
0 |
0 |
0 |
0.000 |
66 |
80 |
|
[NAG]F:2 |
1 |
1 |
365 |
◊ |
[GOL]B:751 |
x,y,z |
1_555 |
1 |
1 |
213 |
3.2 |
-0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
67 |
81 |
|
[BMA]F:3 |
1 |
1 |
288 |
f |
[NAG]F:6 |
x,y,z |
1_555 |
1 |
1 |
359 |
1.9 |
0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
68 |
82 |
|
[BMA]E:3 |
1 |
1 |
289 |
f |
[NAG]E:6 |
x,y,z |
1_555 |
1 |
1 |
362 |
1.4 |
0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
69 |
83 |
|
[NAG]F:2 |
1 |
1 |
365 |
◊ |
[GDP]D:600 |
x,y,z |
1_555 |
1 |
1 |
553 |
0.5 |
-0.0 |
0.258 |
0 |
0 |
0 |
0.000 |
70 |
84 |
|
[NAG]F:6 |
1 |
1 |
359 |
◊ |
B |
-y+1,-x+1,-z+1/6 |
10_665 |
1 |
1 |
22903 |
0.3 |
0.0 |
0.295 |
0 |
0 |
0 |
0.000 |
71 |
85 |
|
[MAN]E:7 |
1 |
1 |
294 |
f |
[NAG]E:2 |
x,y,z |
1_555 |
1 |
1 |
359 |
0.1 |
0.0 |
0.197 |
0 |
0 |
0 |
0.000 |
|