## |
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 |
55 |
15 |
9372 |
◊ |
A |
x,y,z |
1_555 |
61 |
19 |
9307 |
537.8 |
-1.8 |
0.420 |
10 |
6 |
0 |
0.000 |
2 |
|
E |
55 |
15 |
9357 |
◊ |
D |
x,y,z |
1_555 |
59 |
19 |
9469 |
537.3 |
-2.2 |
0.390 |
11 |
4 |
0 |
0.000 |
3 |
|
F |
48 |
16 |
9225 |
◊ |
E |
x,y,z |
1_555 |
59 |
19 |
9357 |
481.9 |
-2.7 |
0.350 |
7 |
5 |
0 |
0.000 |
4 |
|
C |
60 |
18 |
9035 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
9307 |
476.2 |
-2.8 |
0.347 |
5 |
0 |
0 |
0.000 |
5 |
|
C |
48 |
16 |
9035 |
◊ |
B |
x,y,z |
1_555 |
59 |
19 |
9372 |
472.4 |
-1.0 |
0.488 |
9 |
4 |
0 |
0.000 |
6 |
|
F |
56 |
17 |
9225 |
◊ |
D |
x,y,z |
1_555 |
50 |
14 |
9469 |
462.9 |
-4.4 |
0.192 |
4 |
1 |
0 |
0.000 |
Average: |
494.8 |
-2.5 |
0.365 |
8 |
3 |
0 |
0.000 |
2 |
7 |
|
F |
46 |
13 |
9225 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
9372 |
359.6 |
-6.0 |
0.109 |
5 |
0 |
0 |
0.000 |
8 |
|
E |
40 |
12 |
9357 |
◊ |
C |
x-1,y,z |
1_455 |
44 |
13 |
9035 |
355.6 |
-5.8 |
0.101 |
6 |
0 |
0 |
0.000 |
Average: |
357.6 |
-5.9 |
0.105 |
6 |
0 |
0 |
0.000 |
3 |
9 |
|
D |
29 |
9 |
9469 |
◊ |
C |
x,y,z |
1_555 |
36 |
15 |
9035 |
330.4 |
-1.8 |
0.281 |
2 |
1 |
0 |
0.000 |
10 |
|
F |
35 |
15 |
9225 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
8 |
9307 |
302.9 |
-0.3 |
0.550 |
1 |
0 |
0 |
0.000 |
Average: |
316.6 |
-1.0 |
0.416 |
2 |
1 |
0 |
0.000 |
4 |
11 |
|
[P4C]B:1296 |
21 |
1 |
624 |
◊ |
B |
x,y,z |
1_555 |
29 |
13 |
9372 |
276.1 |
1.4 |
0.544 |
3 |
0 |
0 |
0.000 |
5 |
12 |
|
A |
24 |
10 |
9307 |
◊ |
E |
-y+1,x-y,z-1/3 |
2_654 |
26 |
8 |
9357 |
268.9 |
-0.7 |
0.513 |
4 |
2 |
0 |
0.000 |
13 |
|
B |
23 |
9 |
9372 |
◊ |
D |
-y,x-y-1,z-1/3 |
2_544 |
26 |
8 |
9469 |
253.4 |
0.2 |
0.623 |
4 |
2 |
0 |
0.000 |
Average: |
261.1 |
-0.3 |
0.568 |
4 |
2 |
0 |
0.000 |
6 |
14 |
|
[P4C]E:1295 |
20 |
1 |
614 |
f |
E |
x,y,z |
1_555 |
28 |
12 |
9357 |
261.6 |
0.8 |
0.409 |
2 |
0 |
0 |
0.001 |
7 |
15 |
|
[P4C]E:1296 |
21 |
1 |
605 |
◊ |
E |
x,y,z |
1_555 |
30 |
11 |
9357 |
259.6 |
1.0 |
0.531 |
2 |
0 |
0 |
0.000 |
8 |
16 |
|
B |
32 |
9 |
9372 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
26 |
8 |
9307 |
246.2 |
-2.4 |
0.245 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
27 |
8 |
9469 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
28 |
9 |
9357 |
244.6 |
-2.3 |
0.241 |
0 |
0 |
0 |
0.000 |
Average: |
245.4 |
-2.4 |
0.243 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
B |
31 |
11 |
9372 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
30 |
11 |
9357 |
225.1 |
2.3 |
0.820 |
3 |
0 |
0 |
0.000 |
10 |
19 |
|
[P4C]F:1294 |
18 |
1 |
623 |
◊ |
F |
x,y,z |
1_555 |
24 |
11 |
9225 |
214.9 |
1.1 |
0.558 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
[P4C]C:1294 |
21 |
1 |
625 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
9035 |
214.1 |
-0.1 |
0.466 |
2 |
0 |
0 |
0.000 |
12 |
21 |
|
B |
16 |
8 |
9372 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
22 |
9 |
9035 |
173.7 |
1.7 |
0.750 |
3 |
0 |
0 |
0.000 |
22 |
|
F |
23 |
9 |
9225 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
15 |
7 |
9357 |
165.1 |
1.8 |
0.776 |
3 |
0 |
0 |
0.000 |
Average: |
169.4 |
1.8 |
0.763 |
3 |
0 |
0 |
0.000 |
13 |
23 |
|
[GLA]F:1290 |
11 |
1 |
300 |
f |
F |
x,y,z |
1_555 |
22 |
10 |
9225 |
157.3 |
2.0 |
0.290 |
6 |
0 |
0 |
0.007 |
24 |
|
[GLA]C:1290 |
11 |
1 |
301 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
9035 |
152.1 |
1.5 |
0.232 |
6 |
0 |
0 |
0.007 |
Average: |
154.7 |
1.8 |
0.261 |
6 |
0 |
0 |
0.007 |
14 |
25 |
|
[P4C]E:1295 |
15 |
1 |
614 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
9469 |
151.6 |
0.4 |
0.428 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[P4C]C:1294 |
13 |
1 |
625 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
9372 |
134.6 |
1.5 |
0.591 |
1 |
0 |
0 |
0.000 |
16 |
27 |
|
[GLA]E:1289 |
12 |
1 |
299 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
9357 |
130.7 |
4.1 |
0.410 |
3 |
0 |
0 |
0.000 |
17 |
28 |
|
[P4C]F:1294 |
11 |
1 |
623 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
9357 |
124.8 |
0.6 |
0.546 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
[GLA]B:1291 |
10 |
1 |
296 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9372 |
109.3 |
2.3 |
0.308 |
1 |
0 |
0 |
0.000 |
19 |
30 |
|
[GLA]B:1291 |
9 |
1 |
296 |
f |
E |
-y,x-y,z-1/3 |
2_554 |
13 |
5 |
9357 |
107.9 |
1.9 |
0.295 |
2 |
0 |
0 |
0.000 |
20 |
31 |
|
E |
13 |
4 |
9357 |
x |
E |
-y,x-y,z-1/3 |
2_554 |
11 |
4 |
9357 |
106.9 |
-0.9 |
0.338 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
10 |
3 |
9372 |
x |
B |
-y,x-y-1,z-1/3 |
2_544 |
13 |
3 |
9372 |
101.4 |
-1.3 |
0.263 |
0 |
0 |
0 |
0.000 |
Average: |
104.1 |
-1.1 |
0.300 |
0 |
0 |
0 |
0.000 |
21 |
33 |
|
[P4C]B:1296 |
12 |
1 |
624 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
9307 |
101.0 |
-0.7 |
0.430 |
0 |
0 |
0 |
0.006 |
22 |
34 |
|
[NAG]B:1293 |
8 |
1 |
364 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
14 |
5 |
9035 |
99.5 |
1.9 |
0.320 |
2 |
0 |
0 |
0.000 |
35 |
|
F |
15 |
5 |
9225 |
◊ |
[NAG]E:1292 |
-y,x-y,z-1/3 |
2_554 |
9 |
1 |
361 |
99.4 |
1.8 |
0.291 |
2 |
0 |
0 |
0.000 |
Average: |
99.4 |
1.9 |
0.305 |
2 |
0 |
0 |
0.000 |
23 |
36 |
|
[EPE]C:1289 |
7 |
1 |
339 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
9035 |
99.4 |
2.6 |
0.131 |
4 |
0 |
0 |
0.000 |
24 |
37 |
|
[EPE]B:1289 |
8 |
1 |
340 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9372 |
97.6 |
2.5 |
0.114 |
4 |
0 |
0 |
0.000 |
25 |
38 |
|
[ACT]C:1291 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
9035 |
97.2 |
-2.0 |
0.326 |
2 |
0 |
0 |
0.019 |
26 |
39 |
|
[GLA]C:1290 |
8 |
1 |
301 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
9372 |
96.0 |
1.3 |
0.291 |
0 |
0 |
0 |
0.000 |
40 |
|
[GLA]F:1290 |
7 |
1 |
300 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
9357 |
84.8 |
1.3 |
0.352 |
0 |
0 |
0 |
0.000 |
Average: |
90.4 |
1.3 |
0.322 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
[EPE]F:1289 |
9 |
1 |
341 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
9225 |
95.6 |
2.3 |
0.058 |
4 |
0 |
0 |
0.000 |
28 |
42 |
|
[ACT]E:1290 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
9357 |
94.0 |
-1.3 |
0.495 |
0 |
0 |
0 |
0.018 |
29 |
43 |
|
[ACT]B:1290 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
9372 |
92.9 |
-1.3 |
0.502 |
0 |
0 |
0 |
0.019 |
30 |
44 |
|
[ACT]F:1291 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
9225 |
92.6 |
-2.1 |
0.329 |
2 |
0 |
0 |
0.020 |
31 |
45 |
|
F |
15 |
6 |
9225 |
◊ |
[MAN]E:1294 |
-y,x-y,z-1/3 |
2_554 |
8 |
1 |
289 |
92.3 |
1.9 |
0.331 |
2 |
0 |
0 |
0.000 |
32 |
46 |
|
[NAG]B:1293 |
8 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
9372 |
73.3 |
2.1 |
0.373 |
0 |
0 |
0 |
0.000 |
47 |
|
[NAG]E:1292 |
8 |
1 |
361 |
cf |
E |
x,y,z |
1_555 |
7 |
3 |
9357 |
71.3 |
2.1 |
0.326 |
0 |
0 |
0 |
0.000 |
Average: |
72.3 |
2.1 |
0.349 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
[NAG]B:1294 |
8 |
1 |
363 |
cf |
[NAG]B:1293 |
x,y,z |
1_555 |
6 |
1 |
364 |
72.1 |
1.5 |
0.103 |
0 |
0 |
0 |
0.000 |
49 |
|
[NAG]E:1293 |
9 |
1 |
363 |
cf |
[NAG]E:1292 |
x,y,z |
1_555 |
6 |
1 |
361 |
71.3 |
1.5 |
0.083 |
0 |
0 |
0 |
0.000 |
Average: |
71.7 |
1.5 |
0.093 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
[NAG]B:1294 |
9 |
1 |
363 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
8 |
1 |
9035 |
63.2 |
0.4 |
0.093 |
0 |
0 |
0 |
0.000 |
51 |
|
F |
8 |
1 |
9225 |
◊ |
[NAG]E:1293 |
-y,x-y,z-1/3 |
2_554 |
8 |
1 |
363 |
61.5 |
0.4 |
0.126 |
0 |
0 |
0 |
0.000 |
Average: |
62.4 |
0.4 |
0.110 |
0 |
0 |
0 |
0.000 |
35 |
52 |
|
[NAG]B:1294 |
8 |
1 |
363 |
f |
[ACT]B:407 |
x,y,z |
1_555 |
4 |
1 |
183 |
55.6 |
1.1 |
0.319 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
[NAG]C:1293 |
7 |
1 |
357 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
9035 |
54.7 |
1.0 |
0.285 |
1 |
0 |
0 |
0.000 |
37 |
54 |
|
E |
8 |
3 |
9357 |
◊ |
[EPE]C:1289 |
x-1,y,z |
1_455 |
5 |
1 |
339 |
52.0 |
1.3 |
0.212 |
0 |
0 |
0 |
0.000 |
38 |
55 |
|
[EPE]F:1289 |
5 |
1 |
341 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
9372 |
48.2 |
0.7 |
0.120 |
0 |
0 |
0 |
0.000 |
39 |
56 |
|
[MAN]E:1294 |
3 |
1 |
289 |
f |
[NAG]E:1293 |
x,y,z |
1_555 |
5 |
1 |
363 |
47.4 |
1.2 |
0.219 |
0 |
0 |
0 |
0.000 |
40 |
57 |
|
[NAG]F:1293 |
6 |
1 |
363 |
f |
F |
x,y,z |
1_555 |
4 |
1 |
9225 |
46.0 |
1.0 |
0.252 |
1 |
0 |
0 |
0.000 |
41 |
58 |
|
[CA]A:1289 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9307 |
44.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.171 |
59 |
|
[CA]D:1289 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9469 |
44.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.171 |
60 |
|
[CA]F:1292 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
9225 |
43.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.171 |
61 |
|
[CA]C:1292 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
9035 |
43.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.171 |
62 |
|
[CA]B:1292 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
9372 |
43.4 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.171 |
63 |
|
[CA]E:1291 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
9357 |
43.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
43.9 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.171 |
42 |
64 |
|
[MAN]B:1295 |
5 |
1 |
292 |
f |
[NAG]B:1294 |
x,y,z |
1_555 |
5 |
1 |
363 |
44.4 |
0.1 |
0.086 |
0 |
0 |
0 |
0.000 |
43 |
65 |
|
[NAG]B:1294 |
2 |
1 |
363 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
7 |
3 |
9357 |
42.4 |
0.6 |
0.511 |
0 |
0 |
0 |
0.000 |
66 |
|
B |
6 |
2 |
9372 |
◊ |
[NAG]E:1293 |
-y,x-y,z-1/3 |
2_554 |
2 |
1 |
363 |
37.0 |
0.6 |
0.519 |
0 |
0 |
0 |
0.000 |
Average: |
39.7 |
0.6 |
0.515 |
0 |
0 |
0 |
0.000 |
44 |
67 |
|
[ACT]B:1290 |
4 |
1 |
182 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
9225 |
42.3 |
-0.5 |
0.439 |
0 |
0 |
0 |
0.000 |
68 |
|
[ACT]E:1290 |
4 |
1 |
182 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
9035 |
42.2 |
-0.5 |
0.373 |
0 |
0 |
0 |
0.000 |
Average: |
42.3 |
-0.5 |
0.406 |
0 |
0 |
0 |
0.000 |
45 |
69 |
|
[NAG]B:1293 |
4 |
1 |
364 |
f |
[ACT]B:407 |
x,y,z |
1_555 |
3 |
1 |
183 |
40.1 |
0.6 |
0.425 |
0 |
0 |
0 |
0.000 |
46 |
70 |
|
[ACT]F:1291 |
4 |
1 |
182 |
◊ |
[MAN]E:1294 |
-y,x-y,z-1/3 |
2_554 |
6 |
1 |
289 |
39.9 |
0.9 |
0.335 |
0 |
0 |
0 |
0.000 |
47 |
71 |
|
[P4C]E:1295 |
3 |
1 |
614 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
2 |
1 |
9357 |
38.4 |
0.7 |
0.214 |
0 |
0 |
0 |
0.000 |
48 |
72 |
|
B |
2 |
1 |
9372 |
◊ |
[P4C]B:1296 |
-y,x-y-1,z-1/3 |
2_544 |
5 |
1 |
624 |
36.1 |
0.7 |
0.222 |
0 |
0 |
0 |
0.000 |
49 |
73 |
|
[MAN]B:1295 |
4 |
1 |
292 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
8 |
4 |
9035 |
34.8 |
0.2 |
0.309 |
0 |
0 |
0 |
0.000 |
50 |
74 |
|
[P4C]C:1294 |
3 |
1 |
625 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
9469 |
32.0 |
-1.5 |
0.308 |
0 |
0 |
0 |
0.011 |
51 |
75 |
|
[MAN]B:1295 |
4 |
1 |
292 |
◊ |
[ACT]C:1291 |
-y,x-y-1,z-1/3 |
2_544 |
3 |
1 |
182 |
31.9 |
0.9 |
0.461 |
0 |
0 |
0 |
0.000 |
52 |
76 |
|
[P4C]F:1294 |
2 |
1 |
623 |
f |
A |
x-1,y,z |
1_455 |
5 |
2 |
9307 |
30.6 |
-1.7 |
0.208 |
0 |
0 |
0 |
0.013 |
53 |
77 |
|
D |
5 |
2 |
9469 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
9225 |
24.7 |
-0.8 |
0.144 |
0 |
0 |
0 |
0.000 |
54 |
78 |
|
[P4C]F:1294 |
1 |
1 |
623 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
3 |
1 |
9357 |
21.3 |
0.5 |
0.713 |
1 |
0 |
0 |
0.000 |
55 |
79 |
|
[P4C]F:1294 |
2 |
1 |
623 |
◊ |
[P4C]E:1295 |
x,y,z |
1_555 |
1 |
1 |
614 |
10.1 |
0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
56 |
80 |
|
[P4C]C:1294 |
2 |
1 |
625 |
◊ |
[P4C]B:1296 |
x,y,z |
1_555 |
3 |
1 |
624 |
7.9 |
0.5 |
0.515 |
0 |
0 |
0 |
0.000 |
57 |
81 |
|
[GLA]E:1289 |
1 |
1 |
299 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
9225 |
5.5 |
0.1 |
0.357 |
0 |
0 |
0 |
0.000 |
58 |
82 |
|
[NAG]B:1293 |
1 |
1 |
364 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
9357 |
1.8 |
-0.1 |
0.256 |
0 |
0 |
0 |
0.000 |
59 |
83 |
|
[P4C]E:1296 |
1 |
1 |
605 |
f |
E |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
9357 |
0.8 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
60 |
84 |
|
[EPE]C:1289 |
1 |
1 |
339 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
9307 |
0.4 |
0.0 |
0.381 |
0 |
0 |
0 |
0.000 |
|