| ## |
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 |
|
B |
49 |
16 |
7174 |
◊ |
A |
x,y,z |
1_555 |
63 |
22 |
7595 |
519.9 |
2.3 |
0.873 |
6 |
3 |
0 |
0.000 |
| 2 |
2 |
|
C |
59 |
17 |
7913 |
◊ |
A |
x,y,z |
1_555 |
52 |
17 |
7595 |
514.3 |
-0.3 |
0.675 |
12 |
8 |
0 |
0.000 |
| 3 |
3 |
|
C |
39 |
11 |
7913 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
39 |
11 |
7174 |
315.1 |
-2.2 |
0.415 |
4 |
0 |
0 |
0.000 |
| 4 |
4 |
|
D |
37 |
11 |
7090 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
34 |
10 |
7595 |
279.7 |
-1.5 |
0.454 |
5 |
0 |
0 |
0.000 |
| 5 |
5 |
|
C |
33 |
9 |
7913 |
x |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
27 |
4 |
7913 |
255.2 |
-0.7 |
0.542 |
4 |
1 |
0 |
0.000 |
| 6 |
6 |
|
B |
28 |
11 |
7174 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
24 |
8 |
7595 |
224.8 |
-1.0 |
0.448 |
4 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[NAG]B:204 |
13 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
23 |
10 |
7174 |
162.6 |
3.8 |
0.389 |
2 |
0 |
0 |
0.000 |
8 |
|
[NAG]A:205 |
13 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
22 |
9 |
7595 |
161.6 |
3.8 |
0.391 |
2 |
0 |
0 |
0.000 |
9 |
|
[NAG]C:203 |
13 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
24 |
10 |
7913 |
149.0 |
3.7 |
0.409 |
2 |
0 |
0 |
0.000 |
| Average: |
157.8 |
3.8 |
0.397 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[NAG]D:202 |
12 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
21 |
9 |
7090 |
162.4 |
3.8 |
0.410 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[PGE]A:209 |
10 |
1 |
322 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
7595 |
156.8 |
4.3 |
0.300 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[NAG]D:205 |
12 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
20 |
9 |
7090 |
156.7 |
4.2 |
0.442 |
1 |
0 |
0 |
0.000 |
13 |
|
[NAG]A:204 |
12 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
22 |
9 |
7595 |
156.2 |
4.5 |
0.440 |
1 |
0 |
0 |
0.000 |
14 |
|
[NAG]B:203 |
12 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
21 |
9 |
7174 |
153.1 |
4.4 |
0.447 |
1 |
0 |
0 |
0.000 |
| Average: |
155.3 |
4.4 |
0.443 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[NAG]C:202 |
12 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
22 |
9 |
7913 |
154.2 |
4.2 |
0.441 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
C |
21 |
9 |
7913 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
20 |
8 |
7090 |
152.4 |
-2.3 |
0.247 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[NAG]A:203 |
12 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
18 |
9 |
7913 |
145.9 |
2.7 |
0.294 |
3 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[NAG]B:205 |
12 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
12 |
6 |
7174 |
144.8 |
3.8 |
0.421 |
3 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[NAG]D:204 |
10 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
15 |
8 |
7090 |
144.5 |
3.7 |
0.478 |
3 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:207 |
11 |
1 |
366 |
cf |
A |
x,y,z |
1_555 |
13 |
6 |
7595 |
138.0 |
3.7 |
0.436 |
3 |
0 |
0 |
0.000 |
| Average: |
141.3 |
3.7 |
0.457 |
3 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[NAG]D:203 |
11 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
18 |
7 |
7090 |
139.7 |
4.5 |
0.453 |
3 |
0 |
0 |
0.000 |
22 |
|
[NAG]C:204 |
11 |
1 |
356 |
cf |
C |
x,y,z |
1_555 |
19 |
7 |
7913 |
133.3 |
4.0 |
0.474 |
3 |
0 |
0 |
0.000 |
| Average: |
136.5 |
4.2 |
0.463 |
3 |
0 |
0 |
0.000 |
| 17 |
23 |
|
D |
16 |
6 |
7090 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
7595 |
135.9 |
-0.4 |
0.552 |
2 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[NAG]C:205 |
11 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
15 |
7 |
7913 |
135.8 |
3.2 |
0.403 |
3 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[NAG]B:202 |
11 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
20 |
8 |
7174 |
134.1 |
4.2 |
0.447 |
3 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[1PE]A:210 |
8 |
1 |
321 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
7595 |
129.5 |
-1.1 |
0.451 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[NAG]A:202 |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
20 |
8 |
7595 |
129.3 |
4.1 |
0.457 |
1 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[1PE]A:208 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
7595 |
124.0 |
-2.8 |
0.338 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[1PE]B:209 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
7174 |
120.4 |
-1.5 |
0.321 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[1PE]D:207 |
7 |
1 |
324 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
7090 |
118.2 |
2.4 |
0.768 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[NAG]B:202 |
9 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
7595 |
116.0 |
2.2 |
0.335 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[IMD]C:208 |
5 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
7913 |
112.8 |
3.7 |
0.417 |
1 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[IMD]B:208 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
7174 |
108.5 |
3.9 |
0.303 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[NAG]C:203 |
11 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
7595 |
106.3 |
2.0 |
0.292 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[NAG]D:206 |
11 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
7090 |
104.5 |
2.9 |
0.326 |
3 |
0 |
0 |
0.000 |
| 30 |
36 |
|
C |
12 |
5 |
7913 |
◊ |
[NAG]A:202 |
-x+2,y-1/2,-z+1/2 |
3_745 |
7 |
1 |
364 |
98.2 |
2.5 |
0.511 |
2 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[NAG]C:207 |
11 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
11 |
3 |
7913 |
95.4 |
1.9 |
0.220 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[NAG]B:207 |
10 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
12 |
3 |
7174 |
92.9 |
2.0 |
0.324 |
1 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[1PE]D:207 |
8 |
1 |
324 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
11 |
4 |
7595 |
88.1 |
-1.0 |
0.320 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
B |
9 |
4 |
7174 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
3 |
7913 |
83.9 |
0.6 |
0.723 |
1 |
2 |
0 |
0.000 |
| 35 |
41 |
|
[NAG]A:203 |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
7595 |
83.0 |
1.7 |
0.281 |
2 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[NAG]A:206 |
7 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
7174 |
82.6 |
0.4 |
0.221 |
0 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[NAG]A:206 |
9 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
7595 |
78.6 |
2.2 |
0.337 |
1 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[NAG]B:206 |
8 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
11 |
4 |
7174 |
75.8 |
2.4 |
0.435 |
0 |
0 |
0 |
0.000 |
| 39 |
45 |
|
[1PE]C:209 |
7 |
1 |
254 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
7913 |
75.1 |
-0.9 |
0.597 |
0 |
0 |
0 |
0.000 |
| 40 |
46 |
|
[NAG]B:205 |
8 |
1 |
366 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
6 |
2 |
7595 |
71.7 |
0.4 |
0.162 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[NAG]C:206 |
8 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
7913 |
70.4 |
1.8 |
0.277 |
0 |
0 |
0 |
0.000 |
| 42 |
48 |
|
B |
6 |
2 |
7174 |
◊ |
[NAG]C:206 |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
1 |
358 |
69.3 |
1.2 |
0.187 |
0 |
0 |
0 |
0.000 |
| 43 |
49 |
|
[CU]D:201 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
7090 |
63.0 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[CU]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
7595 |
61.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[CU]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
7913 |
60.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[CU]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
7174 |
58.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
60.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[1PE]A:210 |
5 |
1 |
321 |
f |
[PGE]A:209 |
x,y,z |
1_555 |
4 |
1 |
322 |
53.8 |
0.9 |
0.283 |
0 |
0 |
0 |
0.000 |
| 45 |
54 |
|
[NAG]A:202 |
6 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
7090 |
52.4 |
-0.0 |
0.180 |
1 |
0 |
0 |
0.000 |
| 46 |
55 |
|
B |
4 |
2 |
7174 |
◊ |
[NAG]A:207 |
x-1/2,-y+3/2,-z+1 |
4_466 |
6 |
1 |
366 |
46.7 |
0.9 |
0.303 |
1 |
0 |
0 |
0.000 |
| 47 |
56 |
|
[NAG]A:204 |
7 |
1 |
357 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
7090 |
44.0 |
1.3 |
0.290 |
1 |
0 |
0 |
0.000 |
| 48 |
57 |
|
[NAG]C:203 |
4 |
1 |
362 |
◊ |
[NAG]A:203 |
x,y,z |
1_555 |
5 |
1 |
364 |
43.8 |
1.6 |
0.235 |
0 |
0 |
0 |
0.000 |
| 49 |
58 |
|
D |
5 |
2 |
7090 |
◊ |
[NAG]A:205 |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
1 |
362 |
39.4 |
1.0 |
0.401 |
0 |
0 |
0 |
0.000 |
| 50 |
59 |
|
D |
6 |
2 |
7090 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
2 |
7174 |
37.4 |
0.3 |
0.649 |
2 |
0 |
0 |
0.000 |
| 51 |
60 |
|
[NAG]B:205 |
7 |
1 |
366 |
◊ |
[NAG]A:207 |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
366 |
36.1 |
1.8 |
0.233 |
0 |
0 |
0 |
0.000 |
| 52 |
61 |
|
[1PE]D:207 |
3 |
1 |
324 |
◊ |
[1PE]A:210 |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
321 |
35.3 |
0.0 |
0.491 |
0 |
0 |
0 |
0.000 |
| 53 |
62 |
|
[NAG]C:206 |
3 |
1 |
358 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
6 |
3 |
7913 |
34.1 |
-0.5 |
0.151 |
0 |
0 |
0 |
0.000 |
| 54 |
63 |
|
C |
4 |
1 |
7913 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
7595 |
32.3 |
-0.5 |
0.331 |
0 |
0 |
0 |
0.000 |
| 55 |
64 |
|
[1PE]C:209 |
3 |
1 |
254 |
f |
[NAG]C:203 |
x,y,z |
1_555 |
3 |
1 |
362 |
30.1 |
-0.0 |
0.391 |
1 |
0 |
0 |
0.000 |
| 56 |
65 |
|
[NAG]B:206 |
1 |
1 |
366 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7595 |
21.2 |
0.3 |
0.489 |
1 |
0 |
0 |
0.000 |
| 57 |
66 |
|
[NAG]D:204 |
2 |
1 |
365 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7595 |
17.9 |
0.1 |
0.359 |
0 |
0 |
0 |
0.000 |
| 58 |
67 |
|
[1PE]B:209 |
2 |
1 |
258 |
f |
[NAG]B:204 |
x,y,z |
1_555 |
1 |
1 |
360 |
17.2 |
0.4 |
0.607 |
0 |
0 |
0 |
0.000 |
| 59 |
68 |
|
[1PE]A:208 |
2 |
1 |
260 |
f |
[NAG]A:205 |
x,y,z |
1_555 |
1 |
1 |
362 |
15.9 |
0.6 |
0.801 |
0 |
0 |
0 |
0.000 |
| 60 |
69 |
|
B |
2 |
1 |
7174 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
7090 |
12.3 |
-0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
| 61 |
70 |
|
[NAG]B:204 |
1 |
1 |
360 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
7595 |
11.9 |
-0.5 |
0.204 |
0 |
0 |
0 |
0.000 |
| 62 |
71 |
|
C |
1 |
1 |
7913 |
◊ |
[CU]B:201 |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
125 |
11.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
[CU]C:201 |
1 |
1 |
125 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
7174 |
10.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
11.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 63 |
73 |
|
[NAG]A:206 |
3 |
1 |
359 |
◊ |
[NAG]A:207 |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
366 |
8.2 |
-0.1 |
0.185 |
0 |
0 |
0 |
0.000 |
| 64 |
74 |
|
B |
2 |
2 |
7174 |
◊ |
[NAG]C:204 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
356 |
7.9 |
0.1 |
0.389 |
0 |
0 |
0 |
0.000 |
| 65 |
75 |
|
[NAG]A:202 |
1 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7913 |
7.4 |
-0.0 |
0.249 |
0 |
0 |
0 |
0.000 |
| 66 |
76 |
|
[NAG]B:202 |
1 |
1 |
364 |
◊ |
[CU]A:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 67 |
77 |
|
[IMD]C:208 |
2 |
1 |
198 |
f |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
7913 |
4.2 |
0.2 |
0.171 |
0 |
0 |
0 |
0.000 |
| 68 |
78 |
|
[CU]B:201 |
1 |
1 |
125 |
◊ |
[NAG]C:206 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
358 |
3.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|