## |
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 |
116 |
30 |
12225 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
116 |
30 |
12225 |
1037.6 |
1.3 |
0.666 |
16 |
2 |
0 |
0.000 |
2 |
|
C |
90 |
23 |
11306 |
◊ |
C |
x,-y-1,-z |
4_545 |
90 |
23 |
11306 |
787.4 |
-3.8 |
0.413 |
8 |
2 |
0 |
0.000 |
Average: |
912.5 |
-1.3 |
0.539 |
12 |
2 |
0 |
0.000 |
2 |
3 |
|
[PTY]B:200 |
50 |
1 |
1314 |
f |
B |
x,y,z |
1_555 |
133 |
46 |
9534 |
956.3 |
-16.7 |
0.073 |
0 |
0 |
0 |
0.822 |
4 |
|
[PTY]D:200 |
48 |
1 |
1346 |
f |
D |
x,y,z |
1_555 |
135 |
47 |
9626 |
945.4 |
-18.7 |
0.080 |
1 |
0 |
0 |
0.822 |
Average: |
950.9 |
-17.7 |
0.076 |
1 |
0 |
0 |
0.822 |
3 |
5 |
|
B |
102 |
27 |
9534 |
◊ |
A |
x,y,z |
1_555 |
107 |
23 |
12225 |
941.8 |
-3.4 |
0.423 |
14 |
5 |
0 |
0.083 |
6 |
|
D |
101 |
26 |
9626 |
◊ |
C |
x,y,z |
1_555 |
109 |
24 |
11306 |
929.3 |
-4.9 |
0.421 |
16 |
3 |
0 |
0.083 |
Average: |
935.5 |
-4.1 |
0.422 |
15 |
4 |
0 |
0.083 |
4 |
7 |
|
D |
42 |
14 |
9626 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
9534 |
378.6 |
-5.9 |
0.103 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
A |
42 |
13 |
12225 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
45 |
14 |
9534 |
377.1 |
2.5 |
0.716 |
7 |
3 |
0 |
0.000 |
6 |
9 |
|
B |
30 |
9 |
9534 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
29 |
9 |
9534 |
299.5 |
-1.7 |
0.452 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
32 |
12 |
11306 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
28 |
8 |
9626 |
263.4 |
-0.7 |
0.569 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
24 |
7 |
9626 |
◊ |
D |
x,-y-1,-z |
4_545 |
24 |
7 |
9626 |
209.7 |
0.5 |
0.737 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
20 |
6 |
12225 |
x |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
18 |
5 |
12225 |
198.7 |
-3.5 |
0.087 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
[NAG]D:206 |
12 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
18 |
7 |
9626 |
160.4 |
3.5 |
0.372 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[NAG]B:203 |
12 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
21 |
7 |
9534 |
159.5 |
3.4 |
0.379 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[NAG]B:205 |
11 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
18 |
8 |
9534 |
144.0 |
3.4 |
0.404 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
D |
18 |
10 |
9626 |
◊ |
C |
x,-y-1,-z |
4_545 |
10 |
3 |
11306 |
131.8 |
1.8 |
0.851 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[NAG]D:205 |
11 |
1 |
356 |
cf |
D |
x,y,z |
1_555 |
19 |
8 |
9626 |
131.0 |
3.6 |
0.494 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[NAG]B:204 |
10 |
1 |
364 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
15 |
5 |
12225 |
127.0 |
3.4 |
0.450 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[MAN]B:207 |
10 |
1 |
296 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
24 |
8 |
12225 |
125.6 |
0.9 |
0.206 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
A |
11 |
6 |
12225 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
11 |
6 |
12225 |
125.0 |
1.0 |
0.743 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[NAG]D:201 |
11 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
9534 |
115.8 |
2.3 |
0.272 |
2 |
0 |
0 |
0.000 |
19 |
22 |
|
[NAG]B:203 |
12 |
1 |
366 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
11 |
4 |
12225 |
98.4 |
2.3 |
0.247 |
2 |
0 |
0 |
0.000 |
20 |
23 |
|
[NAG]D:202 |
8 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
12 |
6 |
9626 |
95.4 |
2.9 |
0.464 |
4 |
0 |
0 |
0.000 |
21 |
24 |
|
C |
9 |
2 |
11306 |
◊ |
[NAG]D:207 |
x-1,y,z |
1_455 |
10 |
1 |
360 |
89.6 |
1.4 |
0.198 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[NAG]B:202 |
9 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
12 |
6 |
9534 |
88.9 |
2.6 |
0.409 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
C |
10 |
4 |
11306 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
3 |
9534 |
87.1 |
0.2 |
0.652 |
2 |
0 |
0 |
0.000 |
24 |
27 |
|
[NAG]D:204 |
7 |
1 |
357 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
9534 |
81.2 |
1.2 |
0.328 |
1 |
0 |
0 |
0.000 |
25 |
28 |
|
[NAG]B:206 |
10 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
12 |
2 |
9534 |
80.9 |
1.6 |
0.246 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]D:208 |
9 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
11 |
2 |
9626 |
79.9 |
1.6 |
0.279 |
0 |
0 |
0 |
0.000 |
Average: |
80.4 |
1.6 |
0.263 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[NAG]B:204 |
7 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
9534 |
80.3 |
0.6 |
0.234 |
2 |
0 |
0 |
0.015 |
27 |
31 |
|
[NAG]B:202 |
6 |
1 |
356 |
cf |
[NAG]B:201 |
x,y,z |
1_555 |
10 |
1 |
358 |
77.3 |
1.8 |
0.077 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
[NAG]B:201 |
10 |
1 |
358 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
9626 |
72.7 |
1.2 |
0.191 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[NAG]B:204 |
10 |
1 |
364 |
cf |
[NAG]B:203 |
x,y,z |
1_555 |
6 |
1 |
366 |
71.9 |
1.5 |
0.080 |
1 |
0 |
0 |
0.000 |
30 |
34 |
|
[NAG]D:202 |
6 |
1 |
361 |
cf |
[NAG]D:201 |
x,y,z |
1_555 |
7 |
1 |
363 |
67.3 |
1.9 |
0.142 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[NAG]D:207 |
8 |
1 |
360 |
cf |
[NAG]D:206 |
x,y,z |
1_555 |
5 |
1 |
364 |
67.1 |
1.7 |
0.121 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[NAG]D:205 |
6 |
1 |
356 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
9534 |
65.1 |
1.5 |
0.452 |
2 |
0 |
0 |
0.000 |
33 |
37 |
|
[NAG]D:205 |
6 |
1 |
356 |
cf |
[NAG]D:204 |
x,y,z |
1_555 |
8 |
1 |
357 |
64.1 |
1.1 |
0.096 |
1 |
0 |
0 |
0.000 |
34 |
38 |
|
[MAN]D:203 |
6 |
1 |
290 |
cf |
[NAG]D:207 |
x,y,z |
1_555 |
6 |
1 |
360 |
62.4 |
1.8 |
0.140 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[NAG]D:207 |
10 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
9626 |
61.8 |
0.2 |
0.100 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[MAN]B:207 |
6 |
1 |
296 |
cf |
[NAG]B:204 |
x,y,z |
1_555 |
6 |
1 |
364 |
57.7 |
1.6 |
0.134 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[NAG]D:201 |
7 |
1 |
363 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
9626 |
50.2 |
1.0 |
0.300 |
1 |
0 |
0 |
0.000 |
38 |
42 |
|
[NAG]B:205 |
4 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
9626 |
48.7 |
1.1 |
0.480 |
1 |
0 |
0 |
0.000 |
39 |
43 |
|
[MAN]D:203 |
4 |
1 |
290 |
◊ |
D |
x,-y-1,-z |
4_545 |
6 |
2 |
9626 |
48.4 |
0.9 |
0.416 |
1 |
0 |
0 |
0.000 |
40 |
44 |
|
[NAG]D:201 |
4 |
1 |
363 |
◊ |
[NAG]B:202 |
x,y,z |
1_555 |
8 |
1 |
356 |
48.3 |
2.6 |
0.227 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
B |
2 |
2 |
9534 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
4 |
2 |
12225 |
46.4 |
0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[MAN]B:207 |
5 |
1 |
296 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
7 |
3 |
9534 |
44.9 |
0.4 |
0.289 |
1 |
0 |
0 |
0.000 |
43 |
47 |
|
[NAG]D:208 |
3 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
11306 |
42.5 |
1.3 |
0.551 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
[NAG]B:202 |
4 |
1 |
356 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
9626 |
41.6 |
0.2 |
0.239 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
C |
2 |
1 |
11306 |
x |
C |
x-1/2,-y-1/2,-z |
8_445 |
4 |
2 |
11306 |
41.2 |
-0.3 |
0.324 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
C |
6 |
1 |
11306 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12225 |
37.6 |
-0.5 |
0.308 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[PTY]D:200 |
3 |
1 |
1346 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11306 |
32.1 |
-1.0 |
0.200 |
0 |
0 |
0 |
0.008 |
52 |
|
[PTY]B:200 |
4 |
1 |
1314 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12225 |
30.3 |
-1.0 |
0.205 |
0 |
0 |
0 |
0.008 |
Average: |
31.2 |
-1.0 |
0.203 |
0 |
0 |
0 |
0.008 |
48 |
53 |
|
A |
4 |
2 |
12225 |
x |
A |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
12225 |
31.9 |
0.3 |
0.363 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
B |
8 |
5 |
9534 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
5 |
3 |
12225 |
31.8 |
0.9 |
0.800 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
C |
5 |
1 |
11306 |
◊ |
[NAG]D:206 |
x-1,y,z |
1_455 |
4 |
1 |
364 |
31.8 |
0.2 |
0.234 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
[NAG]B:201 |
2 |
1 |
358 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
9534 |
30.1 |
0.2 |
0.399 |
0 |
0 |
0 |
0.000 |
52 |
57 |
|
[NAG]D:202 |
5 |
1 |
361 |
◊ |
[NAG]B:202 |
x,y,z |
1_555 |
2 |
1 |
356 |
25.6 |
0.7 |
0.233 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[NAG]B:204 |
2 |
1 |
364 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
3 |
1 |
9534 |
23.9 |
0.8 |
0.676 |
0 |
0 |
0 |
0.000 |
54 |
59 |
|
C |
4 |
2 |
11306 |
◊ |
[MAN]D:203 |
x-1,y,z |
1_455 |
3 |
1 |
290 |
23.7 |
0.9 |
0.476 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
[NAG]B:206 |
3 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
12225 |
16.2 |
0.5 |
0.381 |
0 |
0 |
0 |
0.000 |
56 |
61 |
|
[MAN]B:207 |
1 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
9534 |
3.4 |
0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
57 |
62 |
|
[NAG]D:201 |
1 |
1 |
363 |
◊ |
[NAG]B:201 |
x,y,z |
1_555 |
1 |
1 |
358 |
3.1 |
0.2 |
0.247 |
0 |
0 |
0 |
0.000 |
58 |
63 |
|
[NAG]D:204 |
1 |
1 |
357 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
9626 |
0.7 |
0.0 |
0.294 |
0 |
0 |
0 |
0.000 |
|