## |
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 |
148 |
37 |
8273 |
◊ |
A |
x,y,z |
1_555 |
152 |
39 |
8384 |
1554.6 |
-28.5 |
0.009 |
18 |
4 |
1 |
0.794 |
2 |
|
E |
149 |
38 |
8221 |
◊ |
D |
x,y,z |
1_555 |
160 |
38 |
8280 |
1544.7 |
-30.1 |
0.010 |
15 |
4 |
1 |
0.794 |
Average: |
1549.7 |
-29.3 |
0.010 |
17 |
4 |
1 |
0.794 |
2 |
3 |
|
C |
68 |
14 |
2287 |
◊ |
E |
x,y,z |
1_555 |
75 |
21 |
8221 |
632.1 |
-8.3 |
0.568 |
6 |
0 |
0 |
0.496 |
4 |
|
F |
70 |
16 |
2290 |
◊ |
B |
x,y,z |
1_555 |
79 |
22 |
8273 |
629.1 |
-7.9 |
0.546 |
6 |
0 |
0 |
0.496 |
Average: |
630.6 |
-8.1 |
0.557 |
6 |
0 |
0 |
0.496 |
3 |
5 |
|
C |
53 |
12 |
2287 |
◊ |
A |
x,y,z |
1_555 |
55 |
12 |
8384 |
437.0 |
-4.2 |
0.763 |
8 |
0 |
0 |
0.219 |
6 |
|
F |
50 |
12 |
2290 |
◊ |
D |
x,y,z |
1_555 |
52 |
13 |
8280 |
425.7 |
-4.4 |
0.734 |
7 |
0 |
0 |
0.219 |
Average: |
431.4 |
-4.3 |
0.749 |
8 |
0 |
0 |
0.219 |
4 |
7 |
|
E |
39 |
15 |
8221 |
◊ |
A |
x,y,z-1 |
1_554 |
41 |
13 |
8384 |
335.5 |
3.2 |
0.884 |
6 |
9 |
0 |
0.000 |
8 |
|
D |
42 |
13 |
8280 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
14 |
8273 |
317.5 |
2.5 |
0.782 |
7 |
8 |
0 |
0.000 |
Average: |
326.5 |
2.8 |
0.833 |
7 |
9 |
0 |
0.000 |
5 |
9 |
|
C |
21 |
5 |
2287 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
8273 |
213.1 |
-1.3 |
0.685 |
3 |
0 |
0 |
0.044 |
10 |
|
F |
21 |
5 |
2290 |
◊ |
E |
x,y,z |
1_555 |
23 |
6 |
8221 |
212.4 |
-1.4 |
0.715 |
2 |
0 |
0 |
0.044 |
Average: |
212.8 |
-1.3 |
0.700 |
3 |
0 |
0 |
0.044 |
6 |
11 |
|
C |
17 |
4 |
2287 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
8280 |
135.6 |
-2.0 |
0.475 |
1 |
0 |
0 |
0.030 |
12 |
|
F |
17 |
4 |
2290 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
8384 |
128.9 |
-1.6 |
0.540 |
1 |
0 |
0 |
0.030 |
Average: |
132.3 |
-1.8 |
0.508 |
1 |
0 |
0 |
0.030 |
7 |
13 |
|
D |
10 |
4 |
8280 |
◊ |
A |
x-1,y,z-1 |
1_454 |
13 |
4 |
8384 |
118.0 |
-2.6 |
0.190 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
D |
14 |
5 |
8280 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
8384 |
116.1 |
0.4 |
0.722 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
F |
10 |
2 |
2290 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
5 |
8384 |
99.9 |
-0.3 |
0.672 |
2 |
0 |
0 |
0.000 |
10 |
16 |
|
D |
15 |
6 |
8280 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
2 |
2287 |
98.4 |
0.1 |
0.725 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
[BTN]F:1611 |
8 |
1 |
404 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
8273 |
90.6 |
0.4 |
0.277 |
0 |
0 |
0 |
0.000 |
18 |
|
[BTN]C:1611 |
7 |
1 |
403 |
◊ |
E |
x,y,z |
1_555 |
10 |
2 |
8221 |
90.2 |
0.5 |
0.318 |
0 |
0 |
0 |
0.000 |
Average: |
90.4 |
0.4 |
0.297 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
D |
14 |
5 |
8280 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
8273 |
88.0 |
0.2 |
0.656 |
2 |
0 |
0 |
0.000 |
20 |
|
E |
6 |
3 |
8221 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
8384 |
32.9 |
-0.5 |
0.495 |
0 |
0 |
0 |
0.000 |
Average: |
60.4 |
-0.2 |
0.576 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
D |
11 |
2 |
8280 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
7 |
8384 |
81.4 |
-0.4 |
0.601 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
[SO4]E:207 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
8221 |
79.6 |
-10.5 |
0.864 |
3 |
0 |
0 |
0.537 |
15 |
23 |
|
[BTN]C:1611 |
6 |
1 |
403 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
2290 |
77.3 |
1.1 |
0.468 |
1 |
0 |
0 |
0.000 |
24 |
|
[BTN]F:1611 |
6 |
1 |
404 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
2287 |
76.9 |
1.2 |
0.481 |
1 |
0 |
0 |
0.000 |
Average: |
77.1 |
1.1 |
0.474 |
1 |
0 |
0 |
0.000 |
16 |
25 |
|
[SO4]D:209 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8280 |
77.0 |
-10.4 |
0.912 |
4 |
0 |
0 |
0.352 |
17 |
26 |
|
[SO4]B:202 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8273 |
70.8 |
-9.8 |
0.785 |
2 |
0 |
0 |
0.429 |
18 |
27 |
|
[BTN]F:1611 |
10 |
1 |
404 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
8221 |
68.3 |
1.1 |
0.290 |
0 |
0 |
0 |
0.000 |
28 |
|
[BTN]C:1611 |
9 |
1 |
403 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
8273 |
65.1 |
1.3 |
0.339 |
0 |
0 |
0 |
0.000 |
Average: |
66.7 |
1.2 |
0.314 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[SO4]D:208 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
8280 |
67.3 |
-9.6 |
0.751 |
4 |
0 |
0 |
0.331 |
20 |
30 |
|
[BTN]F:1611 |
4 |
1 |
404 |
cf |
F |
x,y,z |
1_555 |
9 |
3 |
2290 |
58.3 |
0.2 |
0.390 |
1 |
0 |
0 |
0.010 |
31 |
|
[BTN]C:1611 |
4 |
1 |
403 |
cf |
C |
x,y,z |
1_555 |
8 |
2 |
2287 |
57.5 |
0.3 |
0.378 |
1 |
0 |
0 |
0.010 |
Average: |
57.9 |
0.2 |
0.384 |
1 |
0 |
0 |
0.010 |
21 |
32 |
|
E |
6 |
3 |
8221 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
8273 |
51.2 |
-0.2 |
0.539 |
2 |
0 |
0 |
0.000 |
22 |
33 |
|
D |
7 |
3 |
8280 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
8273 |
51.0 |
-0.6 |
0.499 |
0 |
0 |
0 |
0.006 |
34 |
|
E |
5 |
1 |
8221 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8384 |
46.6 |
-0.6 |
0.453 |
0 |
0 |
0 |
0.006 |
Average: |
48.8 |
-0.6 |
0.476 |
0 |
0 |
0 |
0.006 |
23 |
35 |
|
[NH2]F:1631 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
7 |
2 |
2290 |
41.3 |
0.4 |
0.848 |
0 |
0 |
0 |
0.000 |
36 |
|
[NH2]C:1631 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
2287 |
40.8 |
0.4 |
0.843 |
0 |
0 |
0 |
0.000 |
Average: |
41.0 |
0.4 |
0.846 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[SO4]D:208 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8384 |
32.4 |
-2.7 |
0.964 |
1 |
0 |
0 |
0.017 |
25 |
38 |
|
[NH2]C:1631 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
8273 |
29.7 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
39 |
|
[NH2]F:1631 |
1 |
1 |
117 |
◊ |
E |
x,y,z |
1_555 |
6 |
1 |
8221 |
29.4 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
Average: |
29.6 |
0.2 |
0.760 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[NH2]F:1631 |
1 |
1 |
117 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
8384 |
25.7 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
[SO4]D:208 |
2 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
2290 |
25.2 |
-3.1 |
0.922 |
1 |
0 |
0 |
0.103 |
28 |
42 |
|
[SO4]B:202 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
2290 |
23.5 |
-3.2 |
0.715 |
0 |
0 |
0 |
0.129 |
29 |
43 |
|
D |
4 |
3 |
8280 |
◊ |
[NH2]C:1631 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
117 |
22.0 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[BTN]F:1611 |
3 |
1 |
404 |
◊ |
[SO4]B:202 |
x,y,z |
1_555 |
1 |
1 |
185 |
7.5 |
-0.9 |
0.411 |
0 |
0 |
0 |
0.037 |
31 |
45 |
|
[NH2]C:1631 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8384 |
2.1 |
0.1 |
0.881 |
0 |
0 |
0 |
0.000 |
46 |
|
[NH2]F:1631 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8280 |
0.7 |
0.0 |
0.864 |
0 |
0 |
0 |
0.000 |
Average: |
1.4 |
0.0 |
0.873 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
[BTN]C:1611 |
1 |
1 |
403 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8280 |
1.0 |
0.0 |
0.382 |
0 |
0 |
0 |
0.000 |
48 |
|
[BTN]F:1611 |
1 |
1 |
404 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8384 |
0.1 |
0.0 |
0.365 |
0 |
0 |
0 |
0.000 |
Average: |
0.5 |
0.0 |
0.373 |
0 |
0 |
0 |
0.000 |
|