## |
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 |
|
C |
157 |
45 |
11444 |
◊ |
B |
x,y,z |
1_555 |
155 |
45 |
11477 |
1549.6 |
-7.7 |
0.360 |
29 |
12 |
0 |
1.000 |
2 |
|
E |
151 |
45 |
11419 |
◊ |
A |
x,y,z |
1_555 |
157 |
44 |
11436 |
1525.3 |
-7.9 |
0.342 |
28 |
11 |
0 |
1.000 |
3 |
|
D |
157 |
44 |
11509 |
◊ |
C |
x,y,z |
1_555 |
153 |
45 |
11444 |
1525.1 |
-9.1 |
0.325 |
29 |
11 |
0 |
1.000 |
4 |
|
B |
157 |
46 |
11477 |
◊ |
A |
x,y,z |
1_555 |
150 |
44 |
11436 |
1493.7 |
-6.2 |
0.390 |
27 |
12 |
0 |
1.000 |
5 |
|
E |
155 |
44 |
11419 |
◊ |
D |
x,y,z |
1_555 |
153 |
46 |
11509 |
1490.7 |
-8.4 |
0.375 |
30 |
12 |
0 |
1.000 |
Average: |
1516.9 |
-7.9 |
0.359 |
29 |
12 |
0 |
1.000 |
2 |
6 |
|
A |
48 |
14 |
11436 |
◊ |
E |
x-1/2,-y+5/2,-z |
4_475 |
53 |
15 |
11419 |
460.0 |
0.7 |
0.758 |
7 |
5 |
0 |
0.000 |
3 |
7 |
|
B |
38 |
12 |
11477 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
39 |
13 |
11444 |
373.5 |
1.6 |
0.821 |
6 |
0 |
0 |
0.000 |
4 |
8 |
|
[L0B]B:1218 |
25 |
1 |
570 |
f |
B |
x,y,z |
1_555 |
57 |
15 |
11477 |
305.3 |
0.3 |
0.201 |
2 |
0 |
0 |
0.061 |
9 |
|
[L0B]D:1218 |
25 |
1 |
572 |
f |
D |
x,y,z |
1_555 |
55 |
14 |
11509 |
305.3 |
0.1 |
0.194 |
2 |
0 |
0 |
0.061 |
10 |
|
[L0B]C:1218 |
25 |
1 |
573 |
f |
C |
x,y,z |
1_555 |
58 |
14 |
11444 |
305.1 |
-0.0 |
0.202 |
2 |
0 |
0 |
0.061 |
11 |
|
[L0B]A:1216 |
25 |
1 |
572 |
f |
A |
x,y,z |
1_555 |
55 |
15 |
11436 |
304.1 |
0.1 |
0.193 |
2 |
0 |
0 |
0.061 |
12 |
|
[L0B]E:1218 |
25 |
1 |
574 |
f |
E |
x,y,z |
1_555 |
56 |
14 |
11419 |
302.9 |
0.1 |
0.190 |
2 |
0 |
0 |
0.061 |
Average: |
304.5 |
0.1 |
0.196 |
2 |
0 |
0 |
0.061 |
5 |
13 |
|
D |
24 |
7 |
11509 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
28 |
10 |
11419 |
250.0 |
-0.1 |
0.664 |
1 |
1 |
0 |
0.000 |
6 |
14 |
|
B |
23 |
6 |
11477 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
21 |
8 |
11436 |
185.3 |
-1.3 |
0.470 |
2 |
0 |
0 |
0.000 |
15 |
|
C |
20 |
7 |
11444 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
20 |
7 |
11419 |
168.3 |
-0.3 |
0.585 |
2 |
0 |
0 |
0.000 |
Average: |
176.8 |
-0.8 |
0.528 |
2 |
0 |
0 |
0.000 |
7 |
16 |
|
C |
17 |
6 |
11444 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
22 |
9 |
11436 |
176.1 |
-0.0 |
0.655 |
2 |
1 |
0 |
0.000 |
8 |
17 |
|
[L0B]D:1218 |
14 |
1 |
572 |
◊ |
E |
x,y,z |
1_555 |
25 |
11 |
11419 |
165.0 |
1.0 |
0.281 |
0 |
0 |
0 |
0.000 |
18 |
|
[L0B]A:1216 |
14 |
1 |
572 |
◊ |
B |
x,y,z |
1_555 |
24 |
11 |
11477 |
164.3 |
0.8 |
0.264 |
0 |
0 |
0 |
0.000 |
19 |
|
[L0B]C:1218 |
14 |
1 |
573 |
◊ |
D |
x,y,z |
1_555 |
21 |
10 |
11509 |
163.0 |
0.8 |
0.250 |
0 |
0 |
0 |
0.000 |
20 |
|
[L0B]B:1218 |
15 |
1 |
570 |
◊ |
C |
x,y,z |
1_555 |
22 |
10 |
11444 |
162.5 |
1.0 |
0.260 |
0 |
0 |
0 |
0.000 |
21 |
|
[L0B]E:1218 |
14 |
1 |
574 |
◊ |
A |
x,y,z |
1_555 |
24 |
11 |
11436 |
160.7 |
0.9 |
0.262 |
0 |
0 |
0 |
0.000 |
Average: |
163.1 |
0.9 |
0.263 |
0 |
0 |
0 |
0.000 |
9 |
22 |
|
[NAG]E:1214 |
11 |
1 |
361 |
cf |
E |
x,y,z |
1_555 |
14 |
4 |
11419 |
114.9 |
3.0 |
0.354 |
1 |
0 |
0 |
0.000 |
23 |
|
[NAG]A:1214 |
11 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
15 |
5 |
11436 |
110.9 |
3.0 |
0.397 |
1 |
0 |
0 |
0.000 |
Average: |
112.9 |
3.0 |
0.376 |
1 |
0 |
0 |
0.000 |
10 |
24 |
|
[NAG]B:1214 |
12 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
15 |
5 |
11477 |
114.1 |
3.0 |
0.337 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAG]D:1214 |
12 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
14 |
4 |
11509 |
105.8 |
2.9 |
0.318 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]C:1214 |
12 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
14 |
4 |
11444 |
103.9 |
2.8 |
0.333 |
0 |
0 |
0 |
0.000 |
Average: |
107.9 |
2.9 |
0.329 |
0 |
0 |
0 |
0.000 |
11 |
27 |
|
C |
14 |
5 |
11444 |
◊ |
A |
-x-1/2,-y+2,z-1/2 |
2_474 |
13 |
6 |
11436 |
111.4 |
-2.2 |
0.215 |
0 |
0 |
0 |
0.000 |
12 |
28 |
|
D |
14 |
6 |
11509 |
◊ |
[NAG]E:1214 |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
1 |
361 |
108.7 |
2.8 |
0.380 |
3 |
0 |
0 |
0.000 |
13 |
29 |
|
C |
12 |
5 |
11444 |
◊ |
[NAG]A:1214 |
-x-1,y-1/2,-z+1/2 |
3_445 |
10 |
1 |
360 |
103.4 |
2.7 |
0.392 |
4 |
0 |
0 |
0.000 |
14 |
30 |
|
A |
7 |
2 |
11436 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
6 |
11509 |
80.6 |
0.8 |
0.710 |
0 |
2 |
0 |
0.000 |
15 |
31 |
|
[NAG]E:1215 |
10 |
1 |
361 |
cf |
[NAG]E:1214 |
x,y,z |
1_555 |
6 |
1 |
361 |
73.5 |
2.0 |
0.090 |
0 |
0 |
0 |
0.000 |
16 |
32 |
|
[NAG]B:1215 |
10 |
1 |
361 |
cf |
[NAG]B:1214 |
x,y,z |
1_555 |
7 |
1 |
363 |
71.5 |
1.5 |
0.080 |
1 |
0 |
0 |
0.000 |
17 |
33 |
|
[BMA]B:1216 |
6 |
1 |
290 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
3 |
11509 |
70.5 |
0.6 |
0.267 |
1 |
0 |
0 |
0.000 |
18 |
34 |
|
[NAG]C:1215 |
10 |
1 |
359 |
cf |
[NAG]C:1214 |
x,y,z |
1_555 |
7 |
1 |
362 |
69.1 |
1.4 |
0.078 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
[NAG]D:1215 |
10 |
1 |
362 |
cf |
[NAG]D:1214 |
x,y,z |
1_555 |
7 |
1 |
360 |
68.6 |
1.3 |
0.069 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]A:1215 |
9 |
1 |
359 |
cf |
[NAG]A:1214 |
x,y,z |
1_555 |
6 |
1 |
360 |
60.1 |
1.0 |
0.074 |
0 |
0 |
0 |
0.000 |
Average: |
64.4 |
1.1 |
0.071 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
[NAG]B:1215 |
4 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11477 |
65.6 |
1.1 |
0.385 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
[MAN]C:1217 |
6 |
1 |
290 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
8 |
3 |
11509 |
63.0 |
1.5 |
0.346 |
1 |
0 |
0 |
0.000 |
22 |
39 |
|
[MAN]D:1217 |
5 |
1 |
294 |
cf |
[BMA]D:1216 |
x,y,z |
1_555 |
6 |
1 |
292 |
61.8 |
2.6 |
0.252 |
0 |
0 |
0 |
0.000 |
23 |
40 |
|
[MAN]E:1217 |
6 |
1 |
292 |
cf |
[BMA]E:1216 |
x,y,z |
1_555 |
6 |
1 |
291 |
61.5 |
2.3 |
0.207 |
0 |
0 |
0 |
0.000 |
24 |
41 |
|
[MAN]C:1217 |
6 |
1 |
290 |
cf |
[BMA]C:1216 |
x,y,z |
1_555 |
5 |
1 |
293 |
60.5 |
2.6 |
0.253 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
[NAG]D:1215 |
4 |
1 |
362 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
11509 |
60.1 |
1.3 |
0.386 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
C |
7 |
3 |
11444 |
◊ |
[MAN]D:1217 |
x-1/2,-y+3/2,-z |
4_465 |
6 |
1 |
294 |
59.2 |
1.3 |
0.346 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
[NAG]C:1215 |
3 |
1 |
359 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11444 |
59.2 |
1.4 |
0.488 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[BMA]B:1216 |
8 |
1 |
290 |
cf |
[NAG]B:1215 |
x,y,z |
1_555 |
6 |
1 |
361 |
58.7 |
1.4 |
0.099 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
[BMA]D:1216 |
7 |
1 |
292 |
cf |
[NAG]D:1215 |
x,y,z |
1_555 |
6 |
1 |
362 |
58.2 |
1.2 |
0.110 |
0 |
0 |
0 |
0.000 |
47 |
|
[BMA]C:1216 |
6 |
1 |
293 |
cf |
[NAG]C:1215 |
x,y,z |
1_555 |
6 |
1 |
359 |
58.0 |
1.0 |
0.107 |
0 |
0 |
0 |
0.000 |
Average: |
58.1 |
1.1 |
0.109 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
[MAN]B:1217 |
5 |
1 |
291 |
cf |
[BMA]B:1216 |
x,y,z |
1_555 |
6 |
1 |
290 |
57.3 |
2.9 |
0.253 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
[BMA]E:1216 |
7 |
1 |
291 |
cf |
[NAG]E:1215 |
x,y,z |
1_555 |
5 |
1 |
361 |
56.6 |
1.0 |
0.105 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
[NAG]A:1215 |
5 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
11436 |
49.4 |
0.8 |
0.222 |
0 |
0 |
0 |
0.000 |
33 |
51 |
|
B |
5 |
2 |
11477 |
◊ |
E |
-x-1/2,-y+2,z-1/2 |
2_474 |
8 |
5 |
11419 |
48.6 |
0.8 |
0.784 |
0 |
0 |
0 |
0.000 |
34 |
52 |
|
[MAN]B:1217 |
5 |
1 |
291 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
2 |
11509 |
41.0 |
0.5 |
0.277 |
1 |
0 |
0 |
0.000 |
35 |
53 |
|
[MAN]B:1217 |
5 |
1 |
291 |
◊ |
[BMA]D:1216 |
x-1,y,z |
1_455 |
5 |
1 |
292 |
40.2 |
1.4 |
0.192 |
0 |
0 |
0 |
0.000 |
36 |
54 |
|
[NAG]E:1215 |
3 |
1 |
361 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
11419 |
36.1 |
0.3 |
0.306 |
0 |
0 |
0 |
0.000 |
37 |
55 |
|
A |
8 |
5 |
11436 |
◊ |
[MAN]E:1217 |
x-1/2,-y+5/2,-z |
4_475 |
4 |
1 |
292 |
34.0 |
-0.3 |
0.215 |
0 |
0 |
0 |
0.000 |
38 |
56 |
|
[BMA]B:1216 |
3 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
11477 |
33.3 |
0.7 |
0.430 |
0 |
0 |
0 |
0.000 |
39 |
57 |
|
B |
6 |
2 |
11477 |
◊ |
[NAG]A:1214 |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
360 |
29.9 |
-0.1 |
0.321 |
0 |
0 |
0 |
0.000 |
40 |
58 |
|
[NAG]A:1215 |
4 |
1 |
359 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
11419 |
28.3 |
0.8 |
0.398 |
0 |
0 |
0 |
0.000 |
41 |
59 |
|
[MAN]B:1217 |
4 |
1 |
291 |
f |
[NAG]B:1215 |
x,y,z |
1_555 |
4 |
1 |
361 |
26.1 |
1.0 |
0.225 |
0 |
0 |
0 |
0.000 |
42 |
60 |
|
[BMA]C:1216 |
3 |
1 |
293 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
11509 |
25.6 |
0.6 |
0.460 |
0 |
0 |
0 |
0.000 |
43 |
61 |
|
C |
5 |
2 |
11444 |
◊ |
[NAG]E:1214 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
361 |
23.1 |
-0.2 |
0.315 |
0 |
0 |
0 |
0.000 |
44 |
62 |
|
C |
3 |
3 |
11444 |
◊ |
[BMA]D:1216 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
292 |
21.1 |
0.6 |
0.456 |
0 |
0 |
0 |
0.000 |
45 |
63 |
|
D |
2 |
2 |
11509 |
◊ |
[NAG]E:1215 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
361 |
19.8 |
0.6 |
0.390 |
0 |
0 |
0 |
0.000 |
46 |
64 |
|
D |
3 |
1 |
11509 |
◊ |
B |
-x-1/2,-y+2,z-1/2 |
2_474 |
6 |
2 |
11477 |
18.1 |
0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
47 |
65 |
|
[MAN]D:1217 |
4 |
1 |
294 |
f |
[NAG]D:1215 |
x,y,z |
1_555 |
3 |
1 |
362 |
18.1 |
0.8 |
0.226 |
0 |
0 |
0 |
0.000 |
48 |
66 |
|
C |
3 |
3 |
11444 |
◊ |
[NAG]A:1215 |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
1 |
359 |
14.5 |
0.2 |
0.329 |
0 |
0 |
0 |
0.000 |
49 |
67 |
|
[L0B]E:1218 |
2 |
1 |
574 |
◊ |
[NAG]A:1215 |
x,y,z |
1_555 |
1 |
1 |
359 |
12.9 |
0.9 |
0.610 |
0 |
0 |
0 |
0.000 |
50 |
68 |
|
B |
2 |
1 |
11477 |
◊ |
A |
-x-1/2,-y+2,z-1/2 |
2_474 |
1 |
1 |
11436 |
11.8 |
0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
51 |
69 |
|
B |
1 |
1 |
11477 |
◊ |
[NAG]A:1215 |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
1 |
359 |
11.6 |
0.5 |
0.405 |
0 |
0 |
0 |
0.000 |
52 |
70 |
|
[BMA]E:1216 |
2 |
1 |
291 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
11419 |
11.2 |
0.2 |
0.437 |
0 |
0 |
0 |
0.000 |
53 |
71 |
|
[MAN]B:1217 |
2 |
1 |
291 |
◊ |
[NAG]D:1215 |
x-1,y,z |
1_455 |
2 |
1 |
362 |
10.4 |
0.3 |
0.232 |
0 |
0 |
0 |
0.000 |
54 |
72 |
|
[MAN]C:1217 |
3 |
1 |
290 |
f |
[NAG]C:1215 |
x,y,z |
1_555 |
3 |
1 |
359 |
9.5 |
0.5 |
0.237 |
0 |
0 |
0 |
0.000 |
55 |
73 |
|
A |
3 |
1 |
11436 |
◊ |
[BMA]E:1216 |
x-1/2,-y+5/2,-z |
4_475 |
2 |
1 |
291 |
9.4 |
0.0 |
0.427 |
0 |
0 |
0 |
0.000 |
56 |
74 |
|
[NAG]D:1215 |
2 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11444 |
9.3 |
0.4 |
0.438 |
0 |
0 |
0 |
0.000 |
57 |
75 |
|
E |
2 |
1 |
11419 |
◊ |
[MAN]E:1217 |
x-1/2,-y+5/2,-z |
4_475 |
1 |
1 |
292 |
8.3 |
-0.0 |
0.270 |
0 |
0 |
0 |
0.000 |
58 |
76 |
|
[NAG]B:1215 |
1 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11436 |
7.4 |
0.3 |
0.478 |
0 |
0 |
0 |
0.000 |
59 |
77 |
|
[NAG]E:1215 |
2 |
1 |
361 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11509 |
6.8 |
0.2 |
0.403 |
0 |
0 |
0 |
0.000 |
60 |
78 |
|
[NAG]C:1215 |
1 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11477 |
6.8 |
0.3 |
0.477 |
0 |
0 |
0 |
0.000 |
61 |
79 |
|
D |
2 |
1 |
11509 |
◊ |
[MAN]E:1217 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
292 |
6.7 |
0.1 |
0.359 |
0 |
0 |
0 |
0.000 |
62 |
80 |
|
[MAN]E:1217 |
2 |
1 |
292 |
f |
[NAG]E:1215 |
x,y,z |
1_555 |
2 |
1 |
361 |
6.5 |
0.2 |
0.232 |
0 |
0 |
0 |
0.000 |
63 |
81 |
|
[L0B]A:1216 |
1 |
1 |
572 |
◊ |
[NAG]B:1215 |
x,y,z |
1_555 |
1 |
1 |
361 |
5.2 |
0.3 |
0.385 |
0 |
0 |
0 |
0.000 |
64 |
82 |
|
[L0B]C:1218 |
1 |
1 |
573 |
◊ |
[NAG]D:1215 |
x,y,z |
1_555 |
1 |
1 |
362 |
5.2 |
0.3 |
0.400 |
0 |
0 |
0 |
0.000 |
65 |
83 |
|
[L0B]B:1218 |
1 |
1 |
570 |
◊ |
[NAG]C:1215 |
x,y,z |
1_555 |
1 |
1 |
359 |
2.0 |
0.1 |
0.251 |
0 |
0 |
0 |
0.000 |
|