| ## |
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 |
|
H |
126 |
35 |
12453 |
◊ |
G |
x,y,z |
1_555 |
97 |
23 |
2875 |
1039.7 |
-8.3 |
0.429 |
20 |
8 |
1 |
0.889 |
2 |
|
B |
125 |
34 |
12292 |
◊ |
A |
x,y,z |
1_555 |
100 |
23 |
2995 |
1034.9 |
-8.8 |
0.438 |
23 |
8 |
1 |
0.889 |
3 |
|
F |
125 |
34 |
12334 |
◊ |
E |
x,y,z |
1_555 |
97 |
24 |
2992 |
1010.7 |
-7.9 |
0.457 |
24 |
7 |
1 |
0.889 |
4 |
|
D |
127 |
35 |
12213 |
◊ |
C |
x,y,z |
1_555 |
98 |
22 |
2990 |
1007.4 |
-10.6 |
0.356 |
22 |
6 |
1 |
0.889 |
| Average: |
1023.2 |
-8.9 |
0.420 |
22 |
7 |
1 |
0.889 |
| 2 |
5 |
|
F |
52 |
13 |
12334 |
◊ |
D |
x,y,z |
1_555 |
49 |
13 |
12213 |
420.4 |
-0.3 |
0.490 |
3 |
3 |
0 |
0.000 |
6 |
|
H |
49 |
13 |
12453 |
◊ |
B |
x,y,z |
1_555 |
48 |
13 |
12292 |
396.6 |
-0.9 |
0.437 |
6 |
3 |
0 |
0.000 |
7 |
|
H |
26 |
7 |
12453 |
◊ |
D |
x,y-1,z+1 |
1_546 |
35 |
10 |
12213 |
244.6 |
3.7 |
0.805 |
5 |
4 |
0 |
0.000 |
8 |
|
F |
21 |
6 |
12334 |
◊ |
B |
x,y,z |
1_555 |
34 |
9 |
12292 |
236.2 |
4.4 |
0.866 |
4 |
6 |
0 |
0.000 |
| Average: |
324.4 |
1.7 |
0.649 |
5 |
4 |
0 |
0.000 |
| 3 |
9 |
|
P |
27 |
5 |
919 |
◊ |
H |
x,y,z |
1_555 |
42 |
14 |
12453 |
308.4 |
-3.7 |
0.449 |
2 |
0 |
0 |
0.061 |
| 4 |
10 |
|
N |
30 |
5 |
897 |
◊ |
D |
x,y,z |
1_555 |
40 |
11 |
12213 |
306.0 |
-4.1 |
0.432 |
1 |
0 |
0 |
0.048 |
11 |
|
M |
29 |
6 |
1000 |
◊ |
B |
x,y,z |
1_555 |
38 |
12 |
12292 |
297.4 |
-4.4 |
0.391 |
2 |
0 |
0 |
0.048 |
| Average: |
301.7 |
-4.2 |
0.411 |
2 |
0 |
0 |
0.048 |
| 5 |
12 |
|
O |
25 |
5 |
884 |
◊ |
F |
x,y,z |
1_555 |
36 |
12 |
12334 |
299.6 |
-3.8 |
0.509 |
3 |
2 |
0 |
0.170 |
| 6 |
13 |
|
M |
31 |
6 |
1000 |
◊ |
H |
x,y,z |
1_555 |
35 |
8 |
12453 |
294.6 |
-4.8 |
0.339 |
0 |
0 |
0 |
0.063 |
14 |
|
N |
24 |
5 |
897 |
◊ |
F |
x,y,z |
1_555 |
30 |
6 |
12334 |
245.9 |
-5.0 |
0.239 |
0 |
0 |
0 |
0.063 |
| Average: |
270.2 |
-4.9 |
0.289 |
0 |
0 |
0 |
0.063 |
| 7 |
15 |
|
B |
31 |
10 |
12292 |
◊ |
H |
x-1,y,z |
1_455 |
27 |
12 |
12453 |
268.4 |
3.7 |
0.755 |
6 |
2 |
0 |
0.000 |
16 |
|
B |
22 |
10 |
12292 |
◊ |
F |
x-1,y,z |
1_455 |
22 |
7 |
12334 |
187.6 |
2.1 |
0.761 |
5 |
3 |
0 |
0.000 |
| Average: |
228.0 |
2.9 |
0.758 |
6 |
3 |
0 |
0.000 |
| 8 |
17 |
|
D |
31 |
12 |
12213 |
◊ |
H |
x-1,y+1,z-1 |
1_464 |
27 |
11 |
12453 |
264.8 |
5.5 |
0.835 |
7 |
2 |
0 |
0.000 |
| 9 |
18 |
|
D |
26 |
7 |
12213 |
◊ |
E |
x-1,y+1,z |
1_465 |
27 |
8 |
2992 |
249.3 |
-2.5 |
0.372 |
4 |
0 |
0 |
0.107 |
19 |
|
C |
27 |
8 |
2990 |
◊ |
F |
x-1,y+1,z |
1_465 |
24 |
6 |
12334 |
247.7 |
-2.3 |
0.382 |
4 |
0 |
0 |
0.107 |
20 |
|
A |
28 |
8 |
2995 |
◊ |
H |
x-1,y+1,z |
1_465 |
23 |
6 |
12453 |
239.3 |
-2.2 |
0.370 |
4 |
0 |
0 |
0.107 |
21 |
|
B |
26 |
7 |
12292 |
◊ |
G |
x-1,y+1,z |
1_465 |
25 |
7 |
2875 |
235.5 |
-2.6 |
0.325 |
3 |
0 |
0 |
0.107 |
| Average: |
243.0 |
-2.4 |
0.362 |
4 |
0 |
0 |
0.107 |
| 10 |
22 |
|
[BEN]D:2001 |
9 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
32 |
15 |
12213 |
191.1 |
5.5 |
0.460 |
4 |
0 |
0 |
0.000 |
23 |
|
[BEN]B:2001 |
9 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
32 |
16 |
12292 |
188.6 |
5.3 |
0.454 |
4 |
0 |
0 |
0.000 |
| Average: |
189.9 |
5.4 |
0.457 |
4 |
0 |
0 |
0.000 |
| 11 |
24 |
|
[BEN]F:2001 |
9 |
1 |
279 |
f |
F |
x,y,z |
1_555 |
37 |
16 |
12334 |
188.4 |
5.4 |
0.462 |
4 |
0 |
0 |
0.000 |
25 |
|
[BEN]H:2001 |
9 |
1 |
276 |
f |
H |
x,y,z |
1_555 |
30 |
16 |
12453 |
187.6 |
5.7 |
0.463 |
4 |
0 |
0 |
0.000 |
| Average: |
188.0 |
5.5 |
0.462 |
4 |
0 |
0 |
0.000 |
| 12 |
26 |
|
[BGC]H:4201 |
12 |
1 |
306 |
f |
H |
x,y,z |
1_555 |
23 |
10 |
12453 |
177.0 |
2.0 |
0.300 |
4 |
0 |
0 |
0.000 |
| 13 |
27 |
|
[BGC]F:4203 |
12 |
1 |
310 |
f |
F |
x,y,z |
1_555 |
27 |
10 |
12334 |
170.2 |
3.3 |
0.409 |
3 |
0 |
0 |
0.000 |
| 14 |
28 |
|
P |
24 |
5 |
919 |
◊ |
D |
x,y-1,z+1 |
1_546 |
21 |
6 |
12213 |
160.8 |
-2.5 |
0.395 |
1 |
0 |
0 |
0.000 |
| 15 |
29 |
|
O |
17 |
4 |
884 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
12292 |
159.0 |
-2.9 |
0.352 |
0 |
0 |
0 |
0.000 |
| 16 |
30 |
|
B |
23 |
8 |
12292 |
◊ |
D |
x,y-1,z+1 |
1_546 |
14 |
3 |
12213 |
150.6 |
0.8 |
0.626 |
1 |
0 |
0 |
0.000 |
31 |
|
H |
17 |
8 |
12453 |
◊ |
F |
x,y-1,z+1 |
1_546 |
7 |
2 |
12334 |
86.7 |
1.7 |
0.702 |
1 |
0 |
0 |
0.000 |
32 |
|
H |
7 |
2 |
12453 |
◊ |
F |
x,y,z |
1_555 |
13 |
7 |
12334 |
77.2 |
1.3 |
0.661 |
1 |
0 |
0 |
0.000 |
| Average: |
104.9 |
1.3 |
0.663 |
1 |
0 |
0 |
0.000 |
| 17 |
33 |
|
[NAG]D:1416 |
10 |
1 |
348 |
cf |
D |
x,y,z |
1_555 |
14 |
6 |
12213 |
118.4 |
2.7 |
0.316 |
0 |
0 |
0 |
0.000 |
| 18 |
34 |
|
[NAG]H:1416 |
9 |
1 |
354 |
cf |
H |
x,y,z |
1_555 |
12 |
5 |
12453 |
106.2 |
2.1 |
0.304 |
1 |
0 |
0 |
0.000 |
35 |
|
[NAG]F:1416 |
9 |
1 |
354 |
cf |
F |
x,y,z |
1_555 |
9 |
4 |
12334 |
104.6 |
1.8 |
0.282 |
0 |
0 |
0 |
0.000 |
| Average: |
105.4 |
1.9 |
0.293 |
1 |
0 |
0 |
0.000 |
| 19 |
36 |
|
D |
23 |
8 |
12213 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12292 |
105.7 |
1.4 |
0.707 |
1 |
0 |
0 |
0.000 |
| 20 |
37 |
|
D |
11 |
4 |
12213 |
◊ |
F |
x-1,y,z |
1_455 |
9 |
7 |
12334 |
100.3 |
3.6 |
0.906 |
2 |
2 |
0 |
0.000 |
| 21 |
38 |
|
[NAG]B:1416 |
9 |
1 |
349 |
cf |
B |
x,y,z |
1_555 |
9 |
5 |
12292 |
97.2 |
1.8 |
0.304 |
0 |
0 |
0 |
0.000 |
| 22 |
39 |
|
[BGC]B:4202 |
8 |
1 |
309 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
12334 |
86.6 |
-0.4 |
0.125 |
0 |
0 |
0 |
0.015 |
| 23 |
40 |
|
[BGC]B:4202 |
7 |
1 |
309 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
12292 |
85.4 |
0.4 |
0.206 |
1 |
0 |
0 |
0.000 |
| 24 |
41 |
|
[NA]D:1500 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
12213 |
84.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.440 |
42 |
|
[NA]F:1500 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
19 |
12 |
12334 |
82.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.440 |
43 |
|
[NA]B:1500 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
12292 |
82.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.440 |
44 |
|
[NA]H:1500 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
17 |
10 |
12453 |
80.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.440 |
| Average: |
82.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.440 |
| 25 |
45 |
|
[NAG]H:1417 |
8 |
1 |
358 |
cf |
[NAG]H:1416 |
x,y,z |
1_555 |
7 |
1 |
354 |
78.0 |
2.4 |
0.112 |
1 |
0 |
0 |
0.000 |
| 26 |
46 |
|
[NAG]F:1417 |
10 |
1 |
367 |
cf |
[NAG]F:1416 |
x,y,z |
1_555 |
7 |
1 |
354 |
76.6 |
1.5 |
0.071 |
0 |
0 |
0 |
0.000 |
| 27 |
47 |
|
A |
10 |
3 |
2995 |
◊ |
G |
x-1,y+1,z |
1_465 |
10 |
3 |
2875 |
69.4 |
-1.5 |
0.456 |
0 |
0 |
0 |
0.190 |
48 |
|
C |
9 |
3 |
2990 |
◊ |
E |
x-1,y+1,z |
1_465 |
11 |
3 |
2992 |
67.4 |
-1.3 |
0.489 |
0 |
0 |
0 |
0.190 |
| Average: |
68.4 |
-1.4 |
0.473 |
0 |
0 |
0 |
0.190 |
| 28 |
49 |
|
[NA]B:1501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
12292 |
62.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.294 |
| 29 |
50 |
|
[NA]C:3200 |
1 |
1 |
125 |
◊ |
E |
x-1,y+1,z |
1_465 |
9 |
5 |
2992 |
37.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.842 |
51 |
|
A |
7 |
4 |
2995 |
◊ |
[NA]G:1501 |
x-1,y+1,z |
1_465 |
1 |
1 |
125 |
34.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.842 |
52 |
|
[NA]C:3200 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
2990 |
29.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.842 |
53 |
|
[NA]G:1501 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
4 |
3 |
2875 |
29.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.842 |
| Average: |
32.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.842 |
| 30 |
54 |
|
B |
3 |
1 |
12292 |
◊ |
[NA]G:1501 |
x-1,y+1,z |
1_465 |
1 |
1 |
125 |
27.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.060 |
55 |
|
[NA]G:1501 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
12453 |
26.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.060 |
56 |
|
[NA]C:3200 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
12213 |
26.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.060 |
57 |
|
[NA]C:3200 |
1 |
1 |
125 |
◊ |
F |
x-1,y+1,z |
1_465 |
3 |
1 |
12334 |
25.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
26.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.060 |
| 31 |
58 |
|
[NAG]H:1417 |
3 |
1 |
358 |
f |
H |
x,y,z |
1_555 |
4 |
2 |
12453 |
19.2 |
0.5 |
0.348 |
0 |
0 |
0 |
0.000 |
| 32 |
59 |
|
B |
2 |
2 |
12292 |
◊ |
H |
x-1,y+1,z |
1_465 |
2 |
2 |
12453 |
12.8 |
-0.3 |
0.379 |
0 |
0 |
0 |
0.003 |
60 |
|
D |
2 |
2 |
12213 |
◊ |
F |
x-1,y+1,z |
1_465 |
3 |
2 |
12334 |
12.3 |
-0.3 |
0.415 |
0 |
0 |
0 |
0.003 |
| Average: |
12.5 |
-0.3 |
0.397 |
0 |
0 |
0 |
0.003 |
| 33 |
61 |
|
[BGC]B:4202 |
2 |
1 |
309 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
884 |
10.5 |
0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
|