## |
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 |
183 |
53 |
11258 |
◊ |
C |
x,y,z |
1_555 |
170 |
51 |
11375 |
1562.7 |
-25.1 |
0.023 |
8 |
2 |
0 |
1.000 |
2 |
|
B |
176 |
50 |
11167 |
◊ |
A |
x,y,z |
1_555 |
168 |
50 |
11444 |
1511.5 |
-24.4 |
0.026 |
8 |
2 |
0 |
1.000 |
Average: |
1537.1 |
-24.7 |
0.025 |
8 |
2 |
0 |
1.000 |
2 |
3 |
|
F |
100 |
27 |
6044 |
◊ |
E |
x,y,z |
1_555 |
95 |
23 |
6841 |
826.7 |
-13.4 |
0.146 |
10 |
0 |
0 |
1.000 |
4 |
|
L |
97 |
26 |
6033 |
◊ |
H |
x,y,z |
1_555 |
99 |
25 |
6825 |
825.7 |
-12.6 |
0.196 |
9 |
0 |
0 |
1.000 |
Average: |
826.2 |
-13.0 |
0.171 |
10 |
0 |
0 |
1.000 |
3 |
5 |
|
A |
81 |
23 |
11444 |
◊ |
R |
x,y,z |
1_555 |
72 |
18 |
10403 |
734.2 |
-2.2 |
0.671 |
13 |
3 |
0 |
0.218 |
6 |
|
C |
78 |
23 |
11375 |
◊ |
X |
x,y,z |
1_555 |
73 |
18 |
10246 |
701.8 |
-2.5 |
0.660 |
7 |
2 |
0 |
0.218 |
Average: |
718.0 |
-2.4 |
0.666 |
10 |
3 |
0 |
0.218 |
4 |
7 |
|
B |
64 |
17 |
11167 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
61 |
20 |
6825 |
546.6 |
-4.1 |
0.427 |
6 |
0 |
0 |
0.000 |
8 |
|
D |
62 |
17 |
11258 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
62 |
19 |
6841 |
544.6 |
-4.5 |
0.388 |
6 |
0 |
0 |
0.000 |
Average: |
545.6 |
-4.3 |
0.407 |
6 |
0 |
0 |
0.000 |
5 |
9 |
|
F |
40 |
14 |
6044 |
◊ |
X |
x,y,z |
1_555 |
50 |
17 |
10246 |
442.6 |
1.1 |
0.647 |
6 |
4 |
0 |
0.048 |
10 |
|
L |
41 |
14 |
6033 |
◊ |
R |
x,y,z |
1_555 |
50 |
17 |
10403 |
420.6 |
-0.5 |
0.680 |
7 |
2 |
0 |
0.048 |
Average: |
431.6 |
0.3 |
0.663 |
7 |
3 |
0 |
0.048 |
6 |
11 |
|
E |
50 |
12 |
6841 |
◊ |
X |
x,y,z |
1_555 |
46 |
13 |
10246 |
401.6 |
-4.4 |
0.394 |
5 |
0 |
0 |
0.147 |
12 |
|
H |
51 |
12 |
6825 |
◊ |
R |
x,y,z |
1_555 |
43 |
13 |
10403 |
394.5 |
-3.8 |
0.381 |
4 |
2 |
0 |
0.147 |
Average: |
398.1 |
-4.1 |
0.387 |
5 |
1 |
0 |
0.147 |
7 |
13 |
|
B |
44 |
14 |
11167 |
◊ |
R |
x,y,z |
1_555 |
36 |
11 |
10403 |
377.4 |
2.7 |
0.873 |
10 |
3 |
0 |
0.083 |
14 |
|
D |
42 |
13 |
11258 |
◊ |
X |
x,y,z |
1_555 |
34 |
12 |
10246 |
365.4 |
2.2 |
0.857 |
11 |
2 |
0 |
0.083 |
Average: |
371.4 |
2.4 |
0.865 |
11 |
3 |
0 |
0.083 |
8 |
15 |
|
B |
29 |
11 |
11167 |
◊ |
X |
-x+1/2,y-1/2,-z+1 |
4_546 |
35 |
12 |
10246 |
264.4 |
-2.5 |
0.417 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
D |
24 |
9 |
11258 |
◊ |
X |
-x+1/2,y-1/2,-z |
4_545 |
25 |
7 |
10246 |
195.9 |
-2.8 |
0.280 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
21 |
6 |
11167 |
◊ |
R |
-x+1/2,y-1/2,-z+1 |
4_546 |
19 |
5 |
10403 |
169.5 |
-2.7 |
0.215 |
0 |
0 |
0 |
0.000 |
Average: |
182.7 |
-2.8 |
0.248 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
F |
21 |
5 |
6044 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
23 |
7 |
11444 |
190.2 |
-0.6 |
0.647 |
5 |
0 |
0 |
0.000 |
11 |
19 |
|
R |
26 |
10 |
10403 |
◊ |
R |
-x+1,y,-z+1 |
2_656 |
26 |
10 |
10403 |
185.2 |
-3.9 |
0.224 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
A |
20 |
9 |
11444 |
◊ |
R |
-x+1,y,-z+1 |
2_656 |
19 |
5 |
10403 |
183.1 |
-1.6 |
0.468 |
2 |
0 |
0 |
0.000 |
13 |
21 |
|
C |
23 |
8 |
11375 |
◊ |
L |
x-1/2,y-1/2,z-1 |
3_444 |
18 |
5 |
6033 |
168.4 |
-1.3 |
0.537 |
2 |
0 |
0 |
0.000 |
14 |
22 |
|
[NAG]G:1 |
12 |
1 |
363 |
cf |
H |
x,y,z |
1_555 |
26 |
8 |
6825 |
160.1 |
5.6 |
0.652 |
5 |
0 |
0 |
0.000 |
23 |
|
[NAG]I:1 |
12 |
1 |
362 |
cf |
E |
x,y,z |
1_555 |
25 |
8 |
6841 |
157.9 |
4.8 |
0.620 |
5 |
0 |
0 |
0.000 |
Average: |
159.0 |
5.2 |
0.636 |
5 |
0 |
0 |
0.000 |
15 |
24 |
|
[NAG]X:603 |
12 |
1 |
355 |
cf |
X |
x,y,z |
1_555 |
13 |
6 |
10246 |
140.7 |
3.7 |
0.371 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
E |
16 |
6 |
6841 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
18 |
6 |
11444 |
140.7 |
0.7 |
0.743 |
2 |
0 |
0 |
0.000 |
17 |
26 |
|
[NAG]R:603 |
12 |
1 |
355 |
cf |
R |
x,y,z |
1_555 |
14 |
6 |
10403 |
140.1 |
3.5 |
0.367 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
C |
15 |
5 |
11375 |
◊ |
X |
-x,y,-z |
2_555 |
13 |
3 |
10246 |
129.2 |
-1.6 |
0.409 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
D |
12 |
6 |
11258 |
◊ |
R |
-x+1/2,y-1/2,-z |
4_545 |
14 |
6 |
10403 |
121.3 |
0.4 |
0.702 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
[NAG]G:2 |
11 |
1 |
362 |
◊ |
R |
x,y,z |
1_555 |
14 |
5 |
10403 |
106.8 |
2.4 |
0.272 |
4 |
0 |
0 |
0.000 |
30 |
|
[NAG]I:2 |
10 |
1 |
363 |
◊ |
X |
x,y,z |
1_555 |
15 |
6 |
10246 |
105.1 |
2.2 |
0.313 |
3 |
0 |
0 |
0.000 |
Average: |
105.9 |
2.3 |
0.293 |
4 |
0 |
0 |
0.000 |
21 |
31 |
|
C |
13 |
4 |
11375 |
◊ |
H |
x-1/2,y-1/2,z-1 |
3_444 |
12 |
3 |
6825 |
98.2 |
-0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[GOL]R:602 |
6 |
1 |
218 |
f |
R |
x,y,z |
1_555 |
17 |
5 |
10403 |
94.5 |
-0.8 |
0.502 |
3 |
0 |
0 |
0.054 |
23 |
33 |
|
[ACT]X:601 |
4 |
1 |
183 |
f |
X |
x,y,z |
1_555 |
11 |
6 |
10246 |
84.2 |
-0.5 |
0.648 |
1 |
0 |
0 |
0.026 |
24 |
34 |
|
B |
10 |
4 |
11167 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
3 |
6044 |
83.8 |
1.3 |
0.802 |
2 |
0 |
0 |
0.000 |
25 |
35 |
|
[ACT]X:602 |
4 |
1 |
183 |
f |
X |
x,y,z |
1_555 |
10 |
7 |
10246 |
78.0 |
-0.4 |
0.554 |
0 |
0 |
0 |
0.011 |
26 |
36 |
|
[NAG]I:2 |
10 |
1 |
363 |
cf |
[NAG]I:1 |
x,y,z |
1_555 |
7 |
1 |
362 |
73.6 |
2.0 |
0.092 |
1 |
0 |
0 |
0.000 |
37 |
|
[NAG]G:2 |
9 |
1 |
362 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
7 |
1 |
363 |
71.1 |
1.8 |
0.087 |
1 |
0 |
0 |
0.000 |
Average: |
72.3 |
1.9 |
0.089 |
1 |
0 |
0 |
0.000 |
27 |
38 |
|
[ACT]R:601 |
4 |
1 |
184 |
◊ |
R |
x,y,z |
1_555 |
11 |
5 |
10403 |
70.7 |
0.1 |
0.698 |
1 |
0 |
0 |
0.009 |
28 |
39 |
|
D |
11 |
2 |
11258 |
◊ |
L |
x-1/2,y-1/2,z-1 |
3_444 |
5 |
2 |
6033 |
66.7 |
-0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[NAG]I:1 |
9 |
1 |
362 |
◊ |
X |
x,y,z |
1_555 |
8 |
4 |
10246 |
66.5 |
1.1 |
0.277 |
1 |
0 |
0 |
0.000 |
41 |
|
[NAG]G:1 |
9 |
1 |
363 |
◊ |
R |
x,y,z |
1_555 |
7 |
4 |
10403 |
62.7 |
1.0 |
0.248 |
1 |
0 |
0 |
0.000 |
Average: |
64.6 |
1.1 |
0.263 |
1 |
0 |
0 |
0.000 |
30 |
42 |
|
X |
10 |
3 |
10246 |
◊ |
X |
-x,y,-z |
2_555 |
10 |
3 |
10246 |
64.7 |
0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[MAN]I:5 |
6 |
1 |
289 |
cf |
[MAN]I:4 |
x,y,z |
1_555 |
6 |
1 |
293 |
64.0 |
2.1 |
0.186 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[MAN]G:5 |
6 |
1 |
289 |
cf |
[MAN]G:4 |
x,y,z |
1_555 |
5 |
1 |
294 |
61.2 |
2.6 |
0.210 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[MAN]G:4 |
5 |
1 |
294 |
cf |
[BMA]G:3 |
x,y,z |
1_555 |
5 |
1 |
292 |
60.8 |
2.3 |
0.239 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
[MAN]I:4 |
5 |
1 |
293 |
cf |
[BMA]I:3 |
x,y,z |
1_555 |
5 |
1 |
290 |
60.6 |
2.5 |
0.313 |
0 |
0 |
0 |
0.000 |
35 |
47 |
|
[MAN]G:6 |
7 |
1 |
294 |
cf |
[BMA]G:3 |
x,y,z |
1_555 |
6 |
1 |
292 |
60.1 |
2.5 |
0.201 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
[BMA]I:3 |
5 |
1 |
290 |
cf |
[NAG]I:2 |
x,y,z |
1_555 |
4 |
1 |
363 |
59.9 |
1.3 |
0.187 |
0 |
0 |
0 |
0.000 |
49 |
|
[BMA]G:3 |
6 |
1 |
292 |
cf |
[NAG]G:2 |
x,y,z |
1_555 |
5 |
1 |
362 |
59.8 |
1.1 |
0.131 |
0 |
0 |
0 |
0.000 |
Average: |
59.9 |
1.2 |
0.159 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[MAN]I:6 |
4 |
1 |
291 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
6044 |
57.9 |
0.6 |
0.292 |
1 |
0 |
0 |
0.000 |
38 |
51 |
|
[MAN]I:6 |
6 |
1 |
291 |
cf |
[BMA]I:3 |
x,y,z |
1_555 |
5 |
1 |
290 |
56.7 |
2.8 |
0.308 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[ACT]R:601 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
11444 |
50.2 |
-0.4 |
0.611 |
1 |
0 |
0 |
0.100 |
40 |
53 |
|
[MAN]G:4 |
6 |
1 |
294 |
◊ |
R |
x,y,z |
1_555 |
9 |
4 |
10403 |
49.4 |
1.1 |
0.319 |
1 |
0 |
0 |
0.000 |
41 |
54 |
|
[BMA]I:3 |
6 |
1 |
290 |
◊ |
X |
x,y,z |
1_555 |
9 |
3 |
10246 |
48.5 |
0.7 |
0.320 |
0 |
0 |
0 |
0.000 |
55 |
|
[BMA]G:3 |
5 |
1 |
292 |
◊ |
R |
x,y,z |
1_555 |
11 |
4 |
10403 |
47.9 |
0.7 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
48.2 |
0.7 |
0.336 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
X |
5 |
2 |
10246 |
◊ |
R |
x,y,z |
1_555 |
4 |
2 |
10403 |
46.0 |
-0.3 |
0.517 |
0 |
0 |
0 |
0.000 |
43 |
57 |
|
[ACT]X:601 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
11375 |
45.0 |
-0.1 |
0.710 |
1 |
0 |
0 |
0.015 |
44 |
58 |
|
[MAN]G:5 |
4 |
1 |
289 |
◊ |
R |
x,y,z |
1_555 |
5 |
1 |
10403 |
36.1 |
0.9 |
0.395 |
1 |
0 |
0 |
0.000 |
45 |
59 |
|
[NAG]I:2 |
4 |
1 |
363 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
6841 |
33.7 |
1.1 |
0.479 |
0 |
0 |
0 |
0.000 |
60 |
|
[NAG]G:2 |
4 |
1 |
362 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
6825 |
31.9 |
1.0 |
0.414 |
0 |
0 |
0 |
0.000 |
Average: |
32.8 |
1.0 |
0.446 |
0 |
0 |
0 |
0.000 |
46 |
61 |
|
[MAN]I:4 |
6 |
1 |
293 |
◊ |
X |
x,y,z |
1_555 |
5 |
2 |
10246 |
27.0 |
0.4 |
0.269 |
0 |
0 |
0 |
0.000 |
47 |
62 |
|
[MAN]G:6 |
3 |
1 |
294 |
f |
[MAN]G:5 |
x,y,z |
1_555 |
3 |
1 |
289 |
24.0 |
0.6 |
0.220 |
1 |
0 |
0 |
0.000 |
48 |
63 |
|
[MAN]G:5 |
4 |
1 |
289 |
f |
[BMA]G:3 |
x,y,z |
1_555 |
2 |
1 |
292 |
17.6 |
0.3 |
0.196 |
0 |
0 |
0 |
0.000 |
49 |
64 |
|
[MAN]I:5 |
3 |
1 |
289 |
f |
[BMA]I:3 |
x,y,z |
1_555 |
2 |
1 |
290 |
17.1 |
0.4 |
0.274 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
[MAN]G:6 |
3 |
1 |
294 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
6033 |
15.0 |
0.3 |
0.403 |
0 |
0 |
0 |
0.000 |
51 |
66 |
|
[MAN]I:6 |
2 |
1 |
291 |
f |
[NAG]I:2 |
x,y,z |
1_555 |
2 |
1 |
363 |
14.6 |
0.4 |
0.243 |
0 |
0 |
0 |
0.000 |
52 |
67 |
|
[NAG]G:1 |
2 |
1 |
363 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
6033 |
12.5 |
-0.1 |
0.312 |
0 |
0 |
0 |
0.071 |
68 |
|
[NAG]I:1 |
2 |
1 |
362 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
6044 |
9.0 |
-0.0 |
0.307 |
0 |
0 |
0 |
0.071 |
Average: |
10.7 |
-0.1 |
0.310 |
0 |
0 |
0 |
0.071 |
53 |
69 |
|
[MAN]I:5 |
3 |
1 |
289 |
◊ |
X |
x,y,z |
1_555 |
2 |
1 |
10246 |
12.0 |
0.3 |
0.252 |
0 |
0 |
0 |
0.000 |
54 |
70 |
|
D |
3 |
1 |
11258 |
◊ |
[MAN]G:6 |
x-1/2,y-1/2,z-1 |
3_444 |
3 |
1 |
294 |
11.8 |
0.1 |
0.296 |
0 |
0 |
0 |
0.000 |
55 |
71 |
|
F |
2 |
1 |
6044 |
◊ |
B |
x-1/2,y+1/2,z-1 |
3_454 |
3 |
1 |
11167 |
10.3 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
56 |
72 |
|
[NAG]G:2 |
2 |
1 |
362 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
6033 |
8.6 |
0.3 |
0.396 |
0 |
0 |
0 |
0.000 |
73 |
|
[NAG]I:2 |
1 |
1 |
363 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
6044 |
6.8 |
0.1 |
0.298 |
0 |
0 |
0 |
0.000 |
Average: |
7.7 |
0.2 |
0.347 |
0 |
0 |
0 |
0.000 |
57 |
74 |
|
C |
3 |
2 |
11375 |
◊ |
[MAN]G:6 |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
294 |
8.4 |
0.4 |
0.451 |
0 |
0 |
0 |
0.000 |
58 |
75 |
|
[MAN]G:6 |
1 |
1 |
294 |
f |
[NAG]G:2 |
x,y,z |
1_555 |
1 |
1 |
362 |
8.2 |
0.1 |
0.197 |
0 |
0 |
0 |
0.000 |
59 |
76 |
|
[MAN]G:6 |
3 |
1 |
294 |
f |
[MAN]G:4 |
x,y,z |
1_555 |
3 |
1 |
294 |
7.5 |
0.3 |
0.183 |
0 |
0 |
0 |
0.000 |
60 |
77 |
|
[NAG]X:603 |
2 |
1 |
355 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
10403 |
7.2 |
0.1 |
0.230 |
0 |
0 |
0 |
0.000 |
61 |
78 |
|
D |
2 |
1 |
11258 |
◊ |
R |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
10403 |
6.8 |
0.3 |
0.801 |
0 |
0 |
0 |
0.000 |
62 |
79 |
|
C |
1 |
1 |
11375 |
◊ |
C |
-x,y,-z |
2_555 |
1 |
1 |
11375 |
2.7 |
0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
63 |
80 |
|
[MAN]I:6 |
1 |
1 |
291 |
◊ |
B |
x-1/2,y+1/2,z-1 |
3_454 |
1 |
1 |
11167 |
2.1 |
0.1 |
0.362 |
0 |
0 |
0 |
0.000 |
64 |
81 |
|
D |
1 |
1 |
11258 |
◊ |
L |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
6033 |
1.3 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
65 |
82 |
|
[MAN]I:4 |
1 |
1 |
293 |
f |
[NAG]I:2 |
x,y,z |
1_555 |
1 |
1 |
363 |
0.6 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|