| ## |
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 |
|
D |
131 |
36 |
13815 |
◊ |
B |
x,y,z |
1_555 |
118 |
40 |
13614 |
1205.5 |
-8.7 |
0.299 |
10 |
0 |
0 |
0.462 |
2 |
|
C |
127 |
40 |
13668 |
◊ |
A |
x,y,z |
1_555 |
114 |
34 |
13800 |
1150.3 |
-10.4 |
0.241 |
8 |
0 |
0 |
0.462 |
| Average: |
1177.9 |
-9.5 |
0.270 |
9 |
0 |
0 |
0.462 |
| 2 |
3 |
|
D |
96 |
31 |
13815 |
◊ |
C |
x,y,z |
1_555 |
98 |
30 |
13668 |
892.8 |
-11.6 |
0.058 |
4 |
0 |
0 |
0.969 |
4 |
|
B |
98 |
28 |
13614 |
◊ |
A |
x,y,z |
1_555 |
95 |
30 |
13800 |
869.5 |
-9.6 |
0.139 |
8 |
1 |
0 |
0.969 |
| Average: |
881.1 |
-10.6 |
0.098 |
6 |
1 |
0 |
0.969 |
| 3 |
5 |
|
C |
91 |
28 |
13668 |
◊ |
B |
-x+1,-y,z-1/2 |
4_654 |
83 |
26 |
13614 |
789.2 |
-5.4 |
0.458 |
6 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
41 |
11 |
13614 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
43 |
13 |
13800 |
383.6 |
-1.0 |
0.632 |
5 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
34 |
10 |
13800 |
◊ |
C |
-y,x-y-1,z+1/3 |
2_545 |
26 |
7 |
13668 |
239.5 |
1.2 |
0.844 |
5 |
1 |
0 |
0.000 |
| 6 |
8 |
|
A |
25 |
10 |
13800 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
28 |
7 |
13800 |
207.9 |
-1.4 |
0.529 |
3 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
17 |
7 |
13614 |
◊ |
C |
-y,x-y-1,z+1/3 |
2_545 |
20 |
9 |
13668 |
149.0 |
-1.5 |
0.435 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[NAG]B:603 |
8 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
15 |
7 |
13614 |
125.0 |
3.9 |
0.631 |
0 |
0 |
0 |
0.000 |
11 |
|
[NAG]C:603 |
8 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
15 |
7 |
13668 |
116.8 |
3.8 |
0.657 |
0 |
0 |
0 |
0.000 |
| Average: |
120.9 |
3.9 |
0.644 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[NAG]C:601 |
11 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
15 |
4 |
13668 |
114.6 |
2.5 |
0.323 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]D:601 |
11 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
13 |
4 |
13815 |
111.8 |
2.4 |
0.286 |
0 |
0 |
0 |
0.000 |
| Average: |
113.2 |
2.4 |
0.304 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[NAG]A:601 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
12 |
3 |
13800 |
108.7 |
2.4 |
0.325 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]B:601 |
10 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
13614 |
108.5 |
2.3 |
0.320 |
1 |
0 |
0 |
0.000 |
| Average: |
108.6 |
2.4 |
0.322 |
1 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[NAG]C:603 |
10 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
13800 |
94.4 |
2.6 |
0.366 |
3 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[NAG]B:603 |
9 |
1 |
361 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
13815 |
92.3 |
2.3 |
0.364 |
2 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[NAG]B:604 |
9 |
1 |
361 |
cf |
[NAG]B:603 |
x,y,z |
1_555 |
6 |
1 |
361 |
75.7 |
1.9 |
0.096 |
1 |
0 |
0 |
0.000 |
19 |
|
[NAG]C:605 |
9 |
1 |
364 |
cf |
[NAG]C:603 |
x,y,z |
1_555 |
6 |
1 |
360 |
70.4 |
1.8 |
0.098 |
0 |
0 |
0 |
0.000 |
| Average: |
73.0 |
1.8 |
0.097 |
1 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[NAG]D:602 |
10 |
1 |
358 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
7 |
1 |
357 |
71.9 |
2.1 |
0.075 |
0 |
0 |
0 |
0.000 |
21 |
|
[NAG]A:602 |
9 |
1 |
354 |
cf |
[NAG]A:601 |
x,y,z |
1_555 |
7 |
1 |
361 |
65.9 |
1.4 |
0.065 |
0 |
0 |
0 |
0.000 |
| Average: |
68.9 |
1.7 |
0.070 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[NAG]B:602 |
9 |
1 |
362 |
cf |
[NAG]B:601 |
x,y,z |
1_555 |
6 |
1 |
359 |
70.8 |
1.8 |
0.087 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[NAG]C:602 |
9 |
1 |
362 |
cf |
[NAG]C:601 |
x,y,z |
1_555 |
6 |
1 |
361 |
69.2 |
1.4 |
0.089 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[BMA]A:603 |
7 |
1 |
292 |
cf |
[NAG]A:602 |
x,y,z |
1_555 |
7 |
1 |
354 |
63.4 |
1.1 |
0.073 |
1 |
0 |
0 |
0.000 |
25 |
|
[BMA]D:603 |
7 |
1 |
293 |
cf |
[NAG]D:602 |
x,y,z |
1_555 |
6 |
1 |
358 |
61.7 |
1.0 |
0.085 |
1 |
0 |
0 |
0.000 |
| Average: |
62.5 |
1.0 |
0.079 |
1 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[NAG]B:604 |
5 |
1 |
361 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
13815 |
63.0 |
1.3 |
0.420 |
1 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[BMA]C:606 |
6 |
1 |
291 |
cf |
[NAG]C:605 |
x,y,z |
1_555 |
6 |
1 |
364 |
61.8 |
1.4 |
0.121 |
1 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[MAN]C:607 |
6 |
1 |
292 |
cf |
[BMA]C:606 |
x,y,z |
1_555 |
5 |
1 |
291 |
61.2 |
2.6 |
0.276 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[NAG]C:602 |
4 |
1 |
362 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
13668 |
60.1 |
1.6 |
0.480 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
D |
7 |
2 |
13815 |
◊ |
B |
-x+1,-y,z-1/2 |
4_654 |
5 |
1 |
13614 |
59.3 |
0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[NAG]C:605 |
5 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
13800 |
58.4 |
0.6 |
0.340 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[NAG]B:602 |
5 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
13614 |
55.9 |
1.3 |
0.397 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[FUC]C:604 |
5 |
1 |
279 |
cf |
[NAG]C:603 |
x,y,z |
1_555 |
6 |
1 |
360 |
55.6 |
2.4 |
0.261 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[NAG]D:602 |
5 |
1 |
358 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
13815 |
54.8 |
1.0 |
0.342 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[NAG]A:602 |
5 |
1 |
354 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13800 |
54.4 |
1.2 |
0.400 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[NAG]A:601 |
7 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
13668 |
51.0 |
0.4 |
0.187 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[NAG]D:601 |
6 |
1 |
357 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13614 |
48.7 |
1.1 |
0.313 |
2 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[CA]A:604 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
13800 |
46.1 |
-13.0 |
0.000 |
0 |
0 |
0 |
1.000 |
39 |
|
[CA]B:605 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
13614 |
45.8 |
-13.0 |
0.000 |
0 |
0 |
0 |
1.000 |
40 |
|
[CA]C:608 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
13668 |
45.8 |
-12.8 |
0.000 |
0 |
0 |
0 |
1.000 |
41 |
|
[CA]D:604 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
13815 |
45.3 |
-12.9 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
45.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
1.000 |
| 31 |
42 |
|
C |
6 |
2 |
13668 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13614 |
43.6 |
-0.1 |
0.609 |
0 |
0 |
0 |
0.002 |
| 32 |
43 |
|
[FUC]C:604 |
4 |
1 |
279 |
f |
[NAG]C:605 |
x,y,z |
1_555 |
6 |
1 |
364 |
40.0 |
2.0 |
0.246 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
[FUC]C:604 |
3 |
1 |
279 |
◊ |
D |
-x+1,-y,z-1/2 |
4_654 |
5 |
3 |
13815 |
33.7 |
-0.0 |
0.241 |
0 |
0 |
0 |
0.000 |
| 34 |
45 |
|
[NAG]C:601 |
2 |
1 |
361 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13815 |
22.3 |
0.2 |
0.305 |
1 |
0 |
0 |
0.020 |
| 35 |
46 |
|
[MAN]C:607 |
4 |
1 |
292 |
f |
[NAG]C:605 |
x,y,z |
1_555 |
2 |
1 |
364 |
18.1 |
0.4 |
0.158 |
0 |
0 |
0 |
0.000 |
| 36 |
47 |
|
[NAG]A:602 |
2 |
1 |
354 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13668 |
17.8 |
0.7 |
0.607 |
0 |
0 |
0 |
0.000 |
| 37 |
48 |
|
[NAG]B:601 |
4 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
13800 |
17.0 |
0.4 |
0.341 |
0 |
0 |
0 |
0.000 |
| 38 |
49 |
|
[MAN]C:607 |
3 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13800 |
15.4 |
-0.5 |
0.120 |
0 |
0 |
0 |
0.008 |
| 39 |
50 |
|
[NAG]D:602 |
2 |
1 |
358 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13614 |
7.4 |
0.3 |
0.369 |
0 |
0 |
0 |
0.000 |
| 40 |
51 |
|
[FUC]C:604 |
1 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13800 |
5.7 |
0.1 |
0.400 |
0 |
0 |
0 |
0.000 |
| 41 |
52 |
|
[FUC]C:604 |
2 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
13668 |
4.9 |
0.2 |
0.468 |
0 |
0 |
0 |
0.000 |
| 42 |
53 |
|
B |
2 |
2 |
13614 |
◊ |
[NAG]A:601 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
361 |
3.2 |
0.1 |
0.438 |
0 |
0 |
0 |
0.000 |
|