## |
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 |
|
F |
70 |
21 |
12368 |
◊ |
E |
x,y,z |
1_555 |
76 |
19 |
12289 |
698.0 |
-3.3 |
0.374 |
14 |
1 |
0 |
0.366 |
2 |
|
F |
71 |
18 |
12368 |
◊ |
D |
x,y,z |
1_555 |
73 |
23 |
12694 |
697.5 |
-5.1 |
0.242 |
11 |
0 |
0 |
0.366 |
3 |
|
C |
75 |
18 |
12618 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
12734 |
689.8 |
-3.6 |
0.338 |
12 |
0 |
0 |
0.366 |
4 |
|
C |
77 |
24 |
12618 |
◊ |
B |
x,y,z |
1_555 |
69 |
16 |
12831 |
678.8 |
-5.5 |
0.222 |
8 |
0 |
0 |
0.366 |
5 |
|
B |
70 |
21 |
12831 |
◊ |
A |
x,y,z |
1_555 |
76 |
18 |
12734 |
666.4 |
-5.3 |
0.233 |
10 |
0 |
0 |
0.366 |
6 |
|
E |
67 |
21 |
12289 |
◊ |
D |
x,y,z |
1_555 |
68 |
18 |
12694 |
649.9 |
-3.7 |
0.336 |
13 |
0 |
0 |
0.366 |
Average: |
680.1 |
-4.4 |
0.291 |
11 |
0 |
0 |
0.366 |
2 |
7 |
|
B |
84 |
28 |
12831 |
◊ |
E |
x-1,y,z |
1_455 |
82 |
28 |
12289 |
687.7 |
2.6 |
0.745 |
10 |
7 |
0 |
0.037 |
3 |
8 |
|
W |
62 |
11 |
1662 |
◊ |
C |
x,y,z |
1_555 |
71 |
21 |
12618 |
654.7 |
-12.3 |
0.134 |
7 |
2 |
0 |
0.277 |
9 |
|
V |
61 |
12 |
1804 |
◊ |
B |
x,y,z |
1_555 |
70 |
23 |
12831 |
634.1 |
-11.7 |
0.169 |
5 |
2 |
0 |
0.277 |
10 |
|
Y |
57 |
11 |
1822 |
◊ |
E |
x,y,z |
1_555 |
73 |
23 |
12289 |
633.9 |
-11.3 |
0.229 |
6 |
2 |
0 |
0.277 |
11 |
|
Z |
58 |
10 |
1546 |
◊ |
F |
x,y,z |
1_555 |
72 |
21 |
12368 |
572.5 |
-11.0 |
0.206 |
6 |
2 |
0 |
0.277 |
Average: |
623.8 |
-11.6 |
0.185 |
6 |
2 |
0 |
0.277 |
4 |
12 |
|
U |
61 |
10 |
1603 |
◊ |
A |
x,y,z |
1_555 |
69 |
20 |
12734 |
613.8 |
-10.7 |
0.149 |
4 |
1 |
0 |
0.488 |
5 |
13 |
|
X |
57 |
9 |
1506 |
◊ |
D |
x,y,z |
1_555 |
66 |
22 |
12694 |
597.2 |
-9.2 |
0.258 |
4 |
2 |
0 |
0.414 |
6 |
14 |
|
F |
31 |
9 |
12368 |
◊ |
C |
x,y-1,z |
1_545 |
28 |
8 |
12618 |
262.6 |
1.6 |
0.728 |
4 |
0 |
0 |
0.000 |
7 |
15 |
|
D |
23 |
6 |
12694 |
◊ |
C |
x,y-1,z+1 |
1_546 |
32 |
9 |
12618 |
259.3 |
-1.5 |
0.350 |
1 |
0 |
0 |
0.000 |
8 |
16 |
|
F |
26 |
10 |
12368 |
◊ |
Y |
x,y-1,z |
1_545 |
27 |
8 |
1822 |
249.7 |
-0.3 |
0.798 |
1 |
2 |
0 |
0.045 |
17 |
|
V |
29 |
9 |
1804 |
◊ |
C |
x-1,y,z |
1_455 |
28 |
10 |
12618 |
235.2 |
-1.3 |
0.754 |
1 |
1 |
0 |
0.045 |
18 |
|
A |
20 |
7 |
12734 |
◊ |
W |
x,y-1,z |
1_545 |
16 |
5 |
1662 |
167.5 |
-0.9 |
0.687 |
1 |
1 |
0 |
0.045 |
19 |
|
Z |
18 |
6 |
1546 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
7 |
12694 |
154.1 |
-0.6 |
0.746 |
0 |
1 |
0 |
0.045 |
Average: |
201.6 |
-0.8 |
0.746 |
1 |
1 |
0 |
0.045 |
9 |
20 |
|
X |
19 |
5 |
1506 |
◊ |
C |
x,y-1,z+1 |
1_546 |
21 |
6 |
12618 |
191.7 |
0.5 |
0.774 |
2 |
1 |
0 |
0.000 |
10 |
21 |
|
B |
12 |
4 |
12831 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
6 |
12618 |
138.5 |
0.5 |
0.645 |
0 |
1 |
0 |
0.008 |
22 |
|
F |
16 |
5 |
12368 |
◊ |
E |
x,y-1,z |
1_545 |
11 |
4 |
12289 |
121.5 |
-0.3 |
0.527 |
1 |
2 |
0 |
0.008 |
23 |
|
A |
15 |
6 |
12734 |
◊ |
C |
x,y-1,z |
1_545 |
12 |
5 |
12618 |
117.2 |
-0.1 |
0.520 |
0 |
2 |
0 |
0.008 |
24 |
|
F |
9 |
3 |
12368 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
3 |
12694 |
103.1 |
0.0 |
0.566 |
0 |
2 |
0 |
0.008 |
Average: |
120.1 |
0.0 |
0.564 |
0 |
2 |
0 |
0.008 |
11 |
25 |
|
A |
14 |
4 |
12734 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
8 |
12694 |
133.1 |
0.2 |
0.605 |
0 |
0 |
0 |
0.000 |
12 |
26 |
|
B |
12 |
5 |
12831 |
◊ |
Y |
x-1,y,z |
1_455 |
8 |
2 |
1822 |
105.5 |
-0.4 |
0.659 |
1 |
0 |
0 |
0.010 |
27 |
|
V |
7 |
2 |
1804 |
◊ |
E |
x-1,y,z |
1_455 |
11 |
4 |
12289 |
85.9 |
-0.9 |
0.562 |
0 |
0 |
0 |
0.010 |
Average: |
95.7 |
-0.6 |
0.610 |
1 |
0 |
0 |
0.010 |
13 |
28 |
|
[SO4]F:262 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
12368 |
102.8 |
-14.0 |
0.886 |
3 |
0 |
0 |
0.345 |
14 |
29 |
|
A |
15 |
5 |
12734 |
◊ |
D |
x-1,y,z-1 |
1_454 |
8 |
4 |
12694 |
99.1 |
1.7 |
0.762 |
1 |
3 |
0 |
0.000 |
15 |
30 |
|
[SO4]D:262 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
12694 |
96.0 |
-15.6 |
0.502 |
1 |
0 |
0 |
0.586 |
16 |
31 |
|
[SO4]C:262 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12618 |
92.6 |
-12.3 |
0.900 |
2 |
0 |
0 |
0.312 |
17 |
32 |
|
[SO4]A:262 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12734 |
84.6 |
-12.3 |
0.655 |
2 |
0 |
0 |
0.512 |
18 |
33 |
|
A |
7 |
3 |
12734 |
◊ |
E |
x,y,z-1 |
1_554 |
6 |
1 |
12289 |
80.4 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
[ZN]E:262 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
12289 |
43.7 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.537 |
35 |
|
[ZN]B:262 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
12831 |
42.2 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.537 |
Average: |
42.9 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.537 |
20 |
36 |
|
B |
7 |
2 |
12831 |
◊ |
[ZN]E:262 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
36.3 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.426 |
37 |
|
[ZN]B:262 |
1 |
1 |
98 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
2 |
12289 |
35.3 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.426 |
Average: |
35.8 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.426 |
21 |
38 |
|
[ZN]V:1 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
6 |
2 |
1804 |
33.6 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.415 |
39 |
|
[ZN]Z:4 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
5 |
2 |
1546 |
32.7 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.415 |
40 |
|
[ZN]W:2 |
1 |
1 |
98 |
cf |
W |
x,y,z |
1_555 |
6 |
2 |
1662 |
32.4 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.415 |
41 |
|
[ZN]Y:3 |
1 |
1 |
98 |
cf |
Y |
x,y,z |
1_555 |
4 |
2 |
1822 |
32.2 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.415 |
Average: |
32.7 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.415 |
22 |
42 |
|
[ZN]Z:4 |
1 |
1 |
98 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
12694 |
29.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.263 |
43 |
|
[ZN]V:1 |
1 |
1 |
98 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
3 |
12618 |
28.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.263 |
44 |
|
A |
8 |
3 |
12734 |
◊ |
[ZN]W:2 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
28.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.263 |
45 |
|
F |
7 |
2 |
12368 |
◊ |
[ZN]Y:3 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
26.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.263 |
Average: |
27.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.263 |
23 |
46 |
|
[ZN]V:1 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12831 |
27.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.200 |
47 |
|
[ZN]W:2 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12618 |
27.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.200 |
48 |
|
[ZN]Y:3 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
12289 |
26.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.200 |
49 |
|
[ZN]Z:4 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
12368 |
26.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.200 |
Average: |
26.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.200 |
24 |
50 |
|
D |
2 |
1 |
12694 |
◊ |
A |
x,y-1,z+1 |
1_546 |
1 |
1 |
12734 |
18.6 |
0.4 |
0.841 |
0 |
0 |
0 |
0.000 |
25 |
51 |
|
D |
1 |
1 |
12694 |
◊ |
E |
x,y-1,z |
1_545 |
2 |
1 |
12289 |
11.1 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
52 |
|
B |
1 |
1 |
12831 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
12734 |
1.5 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
Average: |
6.3 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
|