## |
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 |
|
F |
295 |
77 |
12960 |
◊ |
E |
x,y,z |
1_555 |
246 |
60 |
17010 |
2696.7 |
-37.5 |
0.027 |
40 |
7 |
1 |
1.000 |
2 |
|
B |
291 |
77 |
12923 |
◊ |
A |
x,y,z |
1_555 |
245 |
60 |
17011 |
2694.8 |
-37.7 |
0.024 |
40 |
7 |
1 |
1.000 |
3 |
|
H |
297 |
77 |
12894 |
◊ |
G |
x,y,z |
1_555 |
246 |
60 |
17023 |
2691.6 |
-37.4 |
0.028 |
40 |
8 |
1 |
1.000 |
4 |
|
D |
290 |
77 |
12982 |
◊ |
C |
x,y,z |
1_555 |
249 |
60 |
17017 |
2687.9 |
-37.8 |
0.026 |
41 |
7 |
1 |
1.000 |
Average: |
2692.7 |
-37.6 |
0.026 |
40 |
7 |
1 |
1.000 |
2 |
5 |
|
F |
111 |
37 |
12960 |
x |
D |
x,y,z |
1_555 |
110 |
30 |
12982 |
1078.9 |
-11.3 |
0.416 |
11 |
8 |
0 |
1.000 |
6 |
|
H |
110 |
37 |
12894 |
x |
F |
x,y,z |
1_555 |
104 |
28 |
12960 |
1063.5 |
-11.4 |
0.383 |
10 |
9 |
0 |
1.000 |
7 |
|
B |
102 |
30 |
12923 |
x |
B |
-y,x-y,z |
2_555 |
108 |
38 |
12923 |
1062.1 |
-11.7 |
0.354 |
11 |
8 |
0 |
1.000 |
8 |
|
H |
102 |
29 |
12894 |
x |
D |
x,y,z |
1_555 |
109 |
37 |
12982 |
1060.6 |
-11.5 |
0.378 |
11 |
8 |
0 |
1.000 |
Average: |
1066.3 |
-11.5 |
0.383 |
11 |
8 |
0 |
1.000 |
3 |
9 |
|
G |
72 |
19 |
17023 |
◊ |
A |
x,y,z |
1_555 |
75 |
19 |
17011 |
638.6 |
-2.3 |
0.490 |
8 |
8 |
0 |
0.071 |
10 |
|
E |
75 |
21 |
17010 |
◊ |
C |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
72 |
19 |
17017 |
637.2 |
-2.2 |
0.502 |
8 |
8 |
0 |
0.071 |
Average: |
637.9 |
-2.3 |
0.496 |
8 |
8 |
0 |
0.071 |
4 |
11 |
|
N |
43 |
9 |
1569 |
◊ |
F |
x,y,z |
1_555 |
55 |
14 |
12960 |
466.3 |
-8.1 |
0.326 |
4 |
0 |
0 |
1.000 |
12 |
|
O |
45 |
9 |
1513 |
◊ |
D |
x,y,z |
1_555 |
54 |
14 |
12982 |
463.4 |
-7.5 |
0.419 |
4 |
0 |
0 |
1.000 |
13 |
|
Q |
45 |
8 |
1538 |
◊ |
H |
x,y,z |
1_555 |
56 |
15 |
12894 |
461.4 |
-7.4 |
0.454 |
3 |
0 |
0 |
1.000 |
14 |
|
M |
43 |
8 |
1573 |
◊ |
B |
x,y,z |
1_555 |
56 |
15 |
12923 |
456.6 |
-7.5 |
0.374 |
3 |
0 |
0 |
1.000 |
Average: |
461.9 |
-7.6 |
0.393 |
4 |
0 |
0 |
1.000 |
5 |
15 |
|
A |
46 |
13 |
17011 |
x |
A |
-y,x-y,z |
2_555 |
42 |
14 |
17011 |
402.4 |
-0.9 |
0.542 |
4 |
1 |
0 |
0.039 |
16 |
|
G |
41 |
13 |
17023 |
x |
E |
x,y,z |
1_555 |
46 |
13 |
17010 |
400.0 |
-0.3 |
0.585 |
3 |
1 |
0 |
0.039 |
17 |
|
G |
47 |
13 |
17023 |
x |
C |
x,y,z |
1_555 |
41 |
13 |
17017 |
399.0 |
-1.0 |
0.532 |
4 |
1 |
0 |
0.039 |
18 |
|
E |
41 |
13 |
17010 |
x |
C |
x,y,z |
1_555 |
44 |
12 |
17017 |
392.8 |
-1.1 |
0.523 |
3 |
1 |
0 |
0.039 |
Average: |
398.6 |
-0.8 |
0.546 |
4 |
1 |
0 |
0.039 |
6 |
19 |
|
B |
34 |
8 |
12923 |
◊ |
A |
-y,x-y,z |
2_555 |
50 |
14 |
17011 |
365.1 |
0.4 |
0.742 |
7 |
2 |
0 |
0.041 |
20 |
|
F |
35 |
9 |
12960 |
◊ |
G |
x,y,z |
1_555 |
49 |
15 |
17023 |
361.5 |
0.5 |
0.747 |
7 |
2 |
0 |
0.041 |
21 |
|
H |
35 |
9 |
12894 |
◊ |
C |
x,y,z |
1_555 |
46 |
12 |
17017 |
360.7 |
0.1 |
0.720 |
6 |
2 |
0 |
0.041 |
22 |
|
D |
34 |
8 |
12982 |
◊ |
E |
x,y,z |
1_555 |
46 |
13 |
17010 |
360.3 |
0.4 |
0.743 |
7 |
2 |
0 |
0.041 |
Average: |
361.9 |
0.3 |
0.738 |
7 |
2 |
0 |
0.041 |
7 |
23 |
|
A |
24 |
6 |
17011 |
◊ |
B |
-y,x-y,z |
2_555 |
39 |
13 |
12923 |
300.1 |
-1.4 |
0.449 |
2 |
2 |
0 |
0.036 |
24 |
|
F |
40 |
13 |
12960 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
17017 |
295.4 |
-1.4 |
0.440 |
2 |
1 |
0 |
0.036 |
25 |
|
H |
38 |
13 |
12894 |
◊ |
E |
x,y,z |
1_555 |
23 |
6 |
17010 |
293.9 |
-1.6 |
0.428 |
2 |
1 |
0 |
0.036 |
26 |
|
D |
38 |
13 |
12982 |
◊ |
G |
x,y,z |
1_555 |
24 |
6 |
17023 |
288.6 |
-1.6 |
0.457 |
2 |
1 |
0 |
0.036 |
Average: |
294.5 |
-1.5 |
0.444 |
2 |
1 |
0 |
0.036 |
8 |
27 |
|
N |
22 |
4 |
1569 |
◊ |
E |
x,y,z |
1_555 |
31 |
11 |
17010 |
207.2 |
-4.5 |
0.291 |
1 |
0 |
0 |
0.080 |
28 |
|
M |
22 |
4 |
1573 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
17011 |
203.3 |
-4.4 |
0.284 |
1 |
0 |
0 |
0.080 |
29 |
|
Q |
21 |
4 |
1538 |
◊ |
G |
x,y,z |
1_555 |
30 |
11 |
17023 |
201.4 |
-4.3 |
0.286 |
1 |
0 |
0 |
0.080 |
30 |
|
O |
21 |
4 |
1513 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
17017 |
200.9 |
-4.3 |
0.283 |
1 |
0 |
0 |
0.080 |
Average: |
203.2 |
-4.4 |
0.286 |
1 |
0 |
0 |
0.080 |
9 |
31 |
|
[NAG]D:201 |
12 |
1 |
350 |
cf |
D |
x,y,z |
1_555 |
16 |
5 |
12982 |
123.5 |
2.5 |
0.308 |
1 |
0 |
0 |
0.000 |
32 |
|
[NAG]H:201 |
12 |
1 |
353 |
cf |
H |
x,y,z |
1_555 |
17 |
5 |
12894 |
122.5 |
2.4 |
0.297 |
1 |
0 |
0 |
0.000 |
33 |
|
[NAG]B:201 |
12 |
1 |
348 |
cf |
B |
x,y,z |
1_555 |
16 |
5 |
12923 |
120.4 |
2.4 |
0.309 |
1 |
0 |
0 |
0.000 |
34 |
|
[NAG]F:201 |
12 |
1 |
350 |
cf |
F |
x,y,z |
1_555 |
17 |
5 |
12960 |
119.2 |
2.4 |
0.322 |
1 |
0 |
0 |
0.000 |
Average: |
121.4 |
2.5 |
0.309 |
1 |
0 |
0 |
0.000 |
10 |
35 |
|
F |
13 |
4 |
12960 |
◊ |
H |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
11 |
4 |
12894 |
114.0 |
-0.0 |
0.707 |
2 |
0 |
0 |
0.000 |
36 |
|
D |
13 |
4 |
12982 |
◊ |
B |
-y-1/3,x-y-2/3,z-2/3 |
5_444 |
12 |
4 |
12923 |
110.7 |
0.2 |
0.743 |
2 |
0 |
0 |
0.000 |
Average: |
112.3 |
0.1 |
0.725 |
2 |
0 |
0 |
0.000 |
11 |
37 |
|
[NAG]A:402 |
9 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
17011 |
90.2 |
2.0 |
0.303 |
1 |
0 |
0 |
0.000 |
38 |
|
[NAG]C:402 |
10 |
1 |
357 |
cf |
C |
x,y,z |
1_555 |
12 |
5 |
17017 |
88.8 |
1.8 |
0.241 |
1 |
0 |
0 |
0.000 |
39 |
|
[NAG]G:402 |
9 |
1 |
359 |
cf |
G |
x,y,z |
1_555 |
11 |
5 |
17023 |
86.6 |
1.8 |
0.295 |
1 |
0 |
0 |
0.000 |
40 |
|
[NAG]E:402 |
8 |
1 |
360 |
cf |
E |
x,y,z |
1_555 |
11 |
5 |
17010 |
86.0 |
1.8 |
0.359 |
1 |
0 |
0 |
0.000 |
Average: |
87.9 |
1.8 |
0.299 |
1 |
0 |
0 |
0.000 |
12 |
41 |
|
[NAG]A:404 |
8 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
17011 |
85.4 |
2.4 |
0.415 |
1 |
0 |
0 |
0.000 |
42 |
|
[NAG]E:404 |
8 |
1 |
364 |
cf |
E |
x,y,z |
1_555 |
9 |
3 |
17010 |
84.9 |
2.5 |
0.415 |
1 |
0 |
0 |
0.000 |
43 |
|
[NAG]C:404 |
8 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
9 |
3 |
17017 |
84.8 |
2.4 |
0.415 |
1 |
0 |
0 |
0.000 |
44 |
|
[NAG]G:404 |
8 |
1 |
364 |
cf |
G |
x,y,z |
1_555 |
9 |
3 |
17023 |
83.4 |
2.4 |
0.415 |
1 |
0 |
0 |
0.000 |
Average: |
84.6 |
2.4 |
0.415 |
1 |
0 |
0 |
0.000 |
13 |
45 |
|
[NAG]E:403 |
9 |
1 |
354 |
cf |
[NAG]E:402 |
x,y,z |
1_555 |
7 |
1 |
360 |
75.4 |
2.2 |
0.105 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]A:403 |
9 |
1 |
356 |
cf |
[NAG]A:402 |
x,y,z |
1_555 |
6 |
1 |
358 |
75.4 |
2.1 |
0.118 |
0 |
0 |
0 |
0.000 |
47 |
|
[NAG]G:403 |
9 |
1 |
352 |
cf |
[NAG]G:402 |
x,y,z |
1_555 |
6 |
1 |
359 |
74.7 |
2.1 |
0.118 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAG]C:403 |
9 |
1 |
354 |
cf |
[NAG]C:402 |
x,y,z |
1_555 |
6 |
1 |
357 |
74.2 |
2.1 |
0.097 |
0 |
0 |
0 |
0.000 |
Average: |
74.9 |
2.1 |
0.109 |
0 |
0 |
0 |
0.000 |
14 |
49 |
|
[NAG]E:401 |
7 |
1 |
353 |
cf |
E |
x,y,z |
1_555 |
7 |
2 |
17010 |
74.9 |
2.5 |
0.466 |
0 |
0 |
0 |
0.000 |
50 |
|
[NAG]A:401 |
7 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
7 |
2 |
17011 |
74.6 |
2.5 |
0.457 |
0 |
0 |
0 |
0.000 |
51 |
|
[NAG]G:401 |
7 |
1 |
354 |
cf |
G |
x,y,z |
1_555 |
7 |
2 |
17023 |
74.6 |
2.5 |
0.465 |
0 |
0 |
0 |
0.000 |
52 |
|
[NAG]C:401 |
7 |
1 |
354 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
17017 |
74.4 |
2.5 |
0.465 |
0 |
0 |
0 |
0.000 |
Average: |
74.6 |
2.5 |
0.463 |
0 |
0 |
0 |
0.000 |
15 |
53 |
|
[NAG]D:202 |
8 |
1 |
358 |
cf |
[NAG]D:201 |
x,y,z |
1_555 |
6 |
1 |
350 |
73.9 |
1.8 |
0.111 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAG]B:202 |
8 |
1 |
357 |
cf |
[NAG]B:201 |
x,y,z |
1_555 |
6 |
1 |
348 |
73.7 |
1.7 |
0.103 |
0 |
0 |
0 |
0.000 |
55 |
|
[NAG]F:202 |
8 |
1 |
356 |
cf |
[NAG]F:201 |
x,y,z |
1_555 |
6 |
1 |
350 |
73.4 |
1.7 |
0.107 |
0 |
0 |
0 |
0.000 |
56 |
|
[NAG]H:202 |
8 |
1 |
356 |
cf |
[NAG]H:201 |
x,y,z |
1_555 |
6 |
1 |
353 |
73.1 |
1.7 |
0.099 |
0 |
0 |
0 |
0.000 |
Average: |
73.6 |
1.7 |
0.105 |
0 |
0 |
0 |
0.000 |
16 |
57 |
|
[NAG]A:405 |
8 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
7 |
2 |
17011 |
71.6 |
1.2 |
0.270 |
1 |
0 |
0 |
0.000 |
58 |
|
[NAG]E:405 |
8 |
1 |
357 |
cf |
E |
x,y,z |
1_555 |
7 |
2 |
17010 |
67.6 |
1.2 |
0.242 |
1 |
0 |
0 |
0.000 |
59 |
|
[NAG]G:405 |
8 |
1 |
358 |
cf |
G |
x,y,z |
1_555 |
6 |
2 |
17023 |
62.5 |
1.6 |
0.272 |
0 |
0 |
0 |
0.000 |
Average: |
67.2 |
1.3 |
0.261 |
1 |
0 |
0 |
0.000 |
17 |
60 |
|
[NAG]C:405 |
7 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
17017 |
64.7 |
2.1 |
0.390 |
0 |
0 |
0 |
0.000 |
18 |
61 |
|
[ACE]N:1 |
3 |
1 |
172 |
cf |
N |
x,y,z |
1_555 |
6 |
2 |
1569 |
57.3 |
-0.2 |
0.879 |
1 |
0 |
0 |
0.115 |
19 |
62 |
|
[ACE]O:1 |
3 |
1 |
172 |
cf |
O |
x,y,z |
1_555 |
5 |
2 |
1513 |
52.9 |
-0.2 |
0.880 |
0 |
0 |
0 |
0.100 |
63 |
|
[ACE]Q:1 |
3 |
1 |
172 |
cf |
Q |
x,y,z |
1_555 |
6 |
1 |
1538 |
52.7 |
-0.3 |
0.880 |
0 |
0 |
0 |
0.100 |
64 |
|
[ACE]M:1 |
3 |
1 |
171 |
cf |
M |
x,y,z |
1_555 |
7 |
2 |
1573 |
52.1 |
-0.3 |
0.880 |
0 |
0 |
0 |
0.100 |
Average: |
52.6 |
-0.3 |
0.880 |
0 |
0 |
0 |
0.100 |
20 |
65 |
|
[ACE]Q:1 |
2 |
1 |
172 |
◊ |
H |
x,y,z |
1_555 |
10 |
3 |
12894 |
48.6 |
-0.6 |
0.722 |
0 |
0 |
0 |
0.117 |
66 |
|
[ACE]O:1 |
2 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
12982 |
41.2 |
-0.4 |
0.733 |
0 |
0 |
0 |
0.117 |
67 |
|
[ACE]M:1 |
2 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12923 |
36.8 |
-0.3 |
0.840 |
0 |
0 |
0 |
0.117 |
Average: |
42.2 |
-0.4 |
0.765 |
0 |
0 |
0 |
0.117 |
21 |
68 |
|
[NAG]D:202 |
6 |
1 |
358 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
12982 |
46.9 |
1.1 |
0.391 |
1 |
0 |
0 |
0.000 |
69 |
|
[NAG]H:202 |
6 |
1 |
356 |
f |
H |
x,y,z |
1_555 |
4 |
2 |
12894 |
44.7 |
1.1 |
0.391 |
0 |
0 |
0 |
0.000 |
70 |
|
[NAG]F:202 |
6 |
1 |
356 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
12960 |
42.8 |
1.1 |
0.402 |
0 |
0 |
0 |
0.000 |
71 |
|
[NAG]B:202 |
6 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
12923 |
41.9 |
1.1 |
0.327 |
1 |
0 |
0 |
0.000 |
Average: |
44.1 |
1.1 |
0.378 |
1 |
0 |
0 |
0.000 |
22 |
72 |
|
[NAG]A:403 |
2 |
1 |
356 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
17011 |
31.6 |
0.6 |
0.423 |
0 |
0 |
0 |
0.000 |
73 |
|
[NAG]G:403 |
1 |
1 |
352 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
17023 |
24.1 |
0.4 |
0.370 |
0 |
0 |
0 |
0.000 |
74 |
|
[NAG]E:403 |
1 |
1 |
354 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
17010 |
23.8 |
0.4 |
0.375 |
0 |
0 |
0 |
0.000 |
Average: |
26.5 |
0.5 |
0.389 |
0 |
0 |
0 |
0.000 |
23 |
75 |
|
[ACE]N:1 |
2 |
1 |
172 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
12960 |
26.4 |
-0.2 |
0.845 |
0 |
0 |
0 |
0.027 |
24 |
76 |
|
[NAG]C:403 |
1 |
1 |
354 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
17017 |
22.8 |
0.4 |
0.384 |
0 |
0 |
0 |
0.000 |
25 |
77 |
|
A |
1 |
1 |
17011 |
◊ |
Q |
-y,x-y,z |
2_555 |
3 |
1 |
1538 |
9.2 |
-0.1 |
0.428 |
0 |
0 |
0 |
0.000 |
78 |
|
N |
3 |
1 |
1569 |
◊ |
G |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
1 |
1 |
17023 |
7.3 |
-0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
79 |
|
M |
3 |
1 |
1573 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
17010 |
6.5 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
80 |
|
C |
1 |
1 |
17017 |
◊ |
O |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
1 |
1 |
1513 |
6.0 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
Average: |
7.3 |
-0.1 |
0.458 |
0 |
0 |
0 |
0.000 |
26 |
81 |
|
E |
1 |
1 |
17010 |
◊ |
[NAG]C:401 |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
1 |
1 |
354 |
2.0 |
0.0 |
0.250 |
0 |
0 |
0 |
0.000 |
82 |
|
[NAG]A:401 |
1 |
1 |
355 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
17023 |
0.3 |
0.0 |
0.286 |
0 |
0 |
0 |
0.000 |
83 |
|
[NAG]G:401 |
1 |
1 |
354 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17011 |
0.2 |
0.0 |
0.294 |
0 |
0 |
0 |
0.000 |
Average: |
0.8 |
0.0 |
0.277 |
0 |
0 |
0 |
0.000 |
|