## |
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 |
99 |
32 |
11317 |
◊ |
A |
x,y,z |
1_555 |
102 |
33 |
11378 |
972.1 |
-14.1 |
0.016 |
6 |
0 |
0 |
0.149 |
2 |
|
F |
99 |
33 |
11404 |
◊ |
E |
x,y,z |
1_555 |
100 |
33 |
11418 |
963.9 |
-14.5 |
0.012 |
7 |
0 |
0 |
0.149 |
3 |
|
D |
96 |
32 |
11337 |
◊ |
C |
x,y,z |
1_555 |
97 |
33 |
11271 |
960.9 |
-14.1 |
0.015 |
6 |
0 |
0 |
0.149 |
Average: |
965.6 |
-14.2 |
0.014 |
6 |
0 |
0 |
0.149 |
2 |
4 |
|
F |
35 |
10 |
11404 |
x |
C |
y,x,-z |
7_555 |
34 |
8 |
11271 |
302.0 |
1.8 |
0.728 |
7 |
4 |
0 |
0.000 |
5 |
|
D |
34 |
8 |
11337 |
x |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
34 |
10 |
11378 |
301.5 |
2.0 |
0.728 |
7 |
4 |
0 |
0.000 |
6 |
|
D |
33 |
10 |
11337 |
x |
F |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
34 |
8 |
11404 |
301.0 |
1.9 |
0.725 |
5 |
4 |
0 |
0.000 |
7 |
|
C |
33 |
9 |
11271 |
x |
A |
x,y,z |
1_555 |
34 |
8 |
11378 |
300.9 |
2.0 |
0.749 |
7 |
4 |
0 |
0.000 |
8 |
|
E |
33 |
10 |
11418 |
x |
E |
-y+1/2,x+1/2,z+1/4 |
3_555 |
34 |
8 |
11418 |
299.2 |
2.2 |
0.742 |
6 |
4 |
0 |
0.000 |
9 |
|
B |
34 |
10 |
11317 |
x |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
33 |
8 |
11317 |
298.3 |
2.0 |
0.763 |
7 |
4 |
0 |
0.000 |
Average: |
300.5 |
2.0 |
0.739 |
7 |
4 |
0 |
0.000 |
3 |
10 |
|
E |
34 |
12 |
11418 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
11317 |
255.4 |
2.8 |
0.806 |
3 |
2 |
0 |
0.000 |
4 |
11 |
|
E |
30 |
8 |
11418 |
◊ |
F |
-y+1/2,x+1/2,z+1/4 |
3_555 |
23 |
6 |
11404 |
232.9 |
-0.8 |
0.376 |
1 |
0 |
0 |
0.000 |
12 |
|
B |
29 |
8 |
11317 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
24 |
6 |
11378 |
221.9 |
-1.0 |
0.362 |
1 |
0 |
0 |
0.000 |
13 |
|
D |
28 |
8 |
11337 |
◊ |
E |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
21 |
5 |
11418 |
208.9 |
-0.4 |
0.415 |
2 |
0 |
0 |
0.000 |
14 |
|
F |
27 |
7 |
11404 |
◊ |
D |
y,x,-z |
7_555 |
20 |
4 |
11337 |
208.6 |
-0.4 |
0.385 |
1 |
0 |
0 |
0.000 |
15 |
|
C |
28 |
8 |
11271 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
11317 |
207.0 |
-0.3 |
0.438 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
20 |
4 |
11271 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
27 |
7 |
11378 |
203.3 |
-0.6 |
0.357 |
1 |
0 |
0 |
0.000 |
Average: |
213.8 |
-0.6 |
0.389 |
1 |
0 |
0 |
0.000 |
5 |
17 |
|
[GOL]D:270 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
11337 |
121.9 |
-1.3 |
0.388 |
2 |
0 |
0 |
0.019 |
6 |
18 |
|
[GOL]A:270 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
11378 |
118.6 |
-1.0 |
0.371 |
1 |
0 |
0 |
0.010 |
7 |
19 |
|
[GOL]F:272 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
11404 |
118.4 |
-0.5 |
0.465 |
2 |
0 |
0 |
0.012 |
8 |
20 |
|
[GOL]E:271 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
18 |
6 |
11418 |
117.7 |
-0.8 |
0.467 |
1 |
0 |
0 |
0.011 |
9 |
21 |
|
[GOL]C:270 |
6 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
11271 |
117.1 |
-1.6 |
0.356 |
0 |
0 |
0 |
0.013 |
10 |
22 |
|
[GOL]B:273 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11317 |
115.9 |
-1.1 |
0.372 |
2 |
0 |
0 |
0.014 |
11 |
23 |
|
[GOL]C:271 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
11271 |
115.2 |
0.2 |
0.588 |
1 |
0 |
0 |
0.002 |
12 |
24 |
|
[GOL]F:271 |
6 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
20 |
6 |
11404 |
111.0 |
0.5 |
0.655 |
4 |
0 |
0 |
0.011 |
13 |
25 |
|
[GOL]B:275 |
6 |
1 |
218 |
f |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
17 |
6 |
11378 |
109.3 |
-0.3 |
0.522 |
2 |
0 |
0 |
0.008 |
14 |
26 |
|
C |
18 |
6 |
11271 |
f |
[GOL]A:273 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
6 |
1 |
219 |
107.1 |
-0.0 |
0.562 |
3 |
0 |
0 |
0.011 |
15 |
27 |
|
[GOL]A:271 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
11378 |
105.6 |
-0.1 |
0.520 |
2 |
0 |
0 |
0.007 |
16 |
28 |
|
[GOL]E:272 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
11418 |
104.3 |
0.6 |
0.630 |
4 |
0 |
0 |
0.010 |
17 |
29 |
|
[GOL]B:274 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11317 |
103.8 |
-0.3 |
0.471 |
1 |
0 |
0 |
0.005 |
18 |
30 |
|
[GOL]C:272 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
11271 |
96.2 |
-0.4 |
0.500 |
3 |
0 |
0 |
0.014 |
19 |
31 |
|
[GOL]A:272 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
11378 |
95.7 |
0.0 |
0.581 |
2 |
0 |
0 |
0.006 |
20 |
32 |
|
[GOL]D:271 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
11337 |
95.3 |
-0.9 |
0.429 |
1 |
0 |
0 |
0.011 |
21 |
33 |
|
[GOL]F:270 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
11404 |
94.1 |
-0.7 |
0.459 |
1 |
0 |
0 |
0.010 |
22 |
34 |
|
[GOL]E:270 |
6 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
11418 |
93.7 |
-0.6 |
0.480 |
1 |
0 |
0 |
0.009 |
23 |
35 |
|
[SO4]C:6 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
11271 |
88.0 |
-13.3 |
0.551 |
3 |
0 |
0 |
0.123 |
24 |
36 |
|
[SO4]E:10 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
11418 |
86.1 |
-12.7 |
0.564 |
5 |
0 |
0 |
0.126 |
25 |
37 |
|
[SO4]D:7 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
11337 |
86.0 |
-12.6 |
0.592 |
5 |
0 |
0 |
0.125 |
26 |
38 |
|
[SO4]A:8 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11378 |
85.8 |
-12.7 |
0.566 |
4 |
0 |
0 |
0.098 |
27 |
39 |
|
[GOL]B:272 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
11317 |
85.4 |
0.4 |
0.651 |
4 |
0 |
0 |
0.010 |
28 |
40 |
|
[SO4]F:11 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
11404 |
84.6 |
-12.5 |
0.604 |
4 |
0 |
0 |
0.121 |
29 |
41 |
|
[SO4]B:9 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
11317 |
83.2 |
-12.4 |
0.603 |
4 |
0 |
0 |
0.097 |
30 |
42 |
|
[SO4]B:18 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
11317 |
82.0 |
-11.5 |
0.707 |
1 |
0 |
0 |
0.081 |
31 |
43 |
|
[GOL]C:273 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11271 |
81.3 |
0.5 |
0.625 |
4 |
0 |
0 |
0.011 |
32 |
44 |
|
[SO4]B:13 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11317 |
71.8 |
-10.6 |
0.659 |
2 |
0 |
0 |
0.078 |
33 |
45 |
|
[SO4]B:3 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
11317 |
70.8 |
-11.0 |
0.607 |
2 |
0 |
0 |
0.081 |
34 |
46 |
|
[SO4]A:1 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11378 |
70.6 |
-10.5 |
0.612 |
3 |
0 |
0 |
0.081 |
35 |
47 |
|
[SO4]E:17 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
11418 |
70.4 |
-8.1 |
0.947 |
2 |
0 |
0 |
0.076 |
36 |
48 |
|
[SO4]D:12 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
11337 |
70.4 |
-10.7 |
0.585 |
2 |
0 |
0 |
0.098 |
37 |
49 |
|
[SO4]E:2 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
11418 |
70.2 |
-10.8 |
0.602 |
2 |
0 |
0 |
0.099 |
38 |
50 |
|
[SO4]F:4 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
11404 |
69.5 |
-10.7 |
0.613 |
3 |
0 |
0 |
0.102 |
39 |
51 |
|
[SO4]C:5 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
11271 |
68.7 |
-10.4 |
0.586 |
3 |
0 |
0 |
0.099 |
40 |
52 |
|
[SO4]A:15 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11378 |
68.2 |
-7.8 |
0.938 |
3 |
0 |
0 |
0.062 |
41 |
53 |
|
[SO4]B:270 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
11317 |
68.1 |
-7.7 |
0.957 |
2 |
0 |
0 |
0.058 |
42 |
54 |
|
[SO4]D:19 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
11337 |
67.9 |
-7.8 |
0.956 |
4 |
0 |
0 |
0.081 |
43 |
55 |
|
[SO4]F:14 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
11404 |
66.8 |
-7.6 |
0.947 |
4 |
0 |
0 |
0.079 |
44 |
56 |
|
[SO4]C:16 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
11271 |
63.9 |
-7.4 |
0.961 |
3 |
0 |
0 |
0.074 |
45 |
57 |
|
[SO4]B:3 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11378 |
56.8 |
-8.0 |
0.640 |
2 |
0 |
0 |
0.060 |
46 |
58 |
|
[SO4]E:2 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
11404 |
55.6 |
-7.8 |
0.697 |
3 |
0 |
0 |
0.077 |
47 |
59 |
|
[SO4]F:4 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
11418 |
55.4 |
-7.5 |
0.733 |
3 |
0 |
0 |
0.075 |
48 |
60 |
|
[SO4]A:1 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11317 |
54.9 |
-7.6 |
0.614 |
1 |
0 |
0 |
0.055 |
49 |
61 |
|
[SO4]D:12 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
11271 |
54.8 |
-7.3 |
0.761 |
2 |
0 |
0 |
0.069 |
50 |
62 |
|
[SO4]C:5 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
11337 |
54.7 |
-7.4 |
0.743 |
3 |
0 |
0 |
0.074 |
51 |
63 |
|
[GOL]A:273 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11378 |
53.2 |
0.3 |
0.645 |
1 |
0 |
0 |
0.000 |
52 |
64 |
|
[GOL]B:275 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11317 |
51.3 |
0.5 |
0.700 |
1 |
0 |
0 |
0.000 |
53 |
65 |
|
[CL]B:271 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11317 |
50.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.047 |
54 |
66 |
|
[GOL]D:270 |
4 |
1 |
216 |
◊ |
E |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
3 |
2 |
11418 |
40.7 |
-0.0 |
0.509 |
1 |
0 |
0 |
0.000 |
55 |
67 |
|
C |
2 |
1 |
11271 |
◊ |
[GOL]A:270 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
4 |
1 |
220 |
40.4 |
0.2 |
0.653 |
0 |
0 |
0 |
0.000 |
56 |
68 |
|
[GOL]E:271 |
4 |
1 |
220 |
◊ |
F |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
11404 |
39.5 |
0.3 |
0.627 |
1 |
0 |
0 |
0.000 |
57 |
69 |
|
[GOL]F:272 |
3 |
1 |
220 |
◊ |
D |
y,x,-z |
7_555 |
2 |
1 |
11337 |
39.3 |
0.4 |
0.743 |
1 |
0 |
0 |
0.000 |
58 |
70 |
|
[GOL]B:273 |
4 |
1 |
218 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
11378 |
38.9 |
0.2 |
0.646 |
1 |
0 |
0 |
0.000 |
59 |
71 |
|
[GOL]C:270 |
3 |
1 |
213 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11317 |
37.6 |
0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
60 |
72 |
|
[SO4]B:13 |
3 |
1 |
186 |
◊ |
E |
-y+1/2,x+1/2,z+1/4 |
3_555 |
5 |
1 |
11418 |
35.1 |
-4.0 |
0.781 |
2 |
0 |
0 |
0.000 |
61 |
73 |
|
[SO4]F:11 |
1 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11418 |
15.2 |
-2.1 |
0.491 |
0 |
0 |
0 |
0.018 |
62 |
74 |
|
[SO4]B:9 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11378 |
14.9 |
-2.0 |
0.493 |
0 |
0 |
0 |
0.014 |
63 |
75 |
|
[SO4]A:8 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11317 |
14.0 |
-2.0 |
0.503 |
0 |
0 |
0 |
0.013 |
64 |
76 |
|
[SO4]C:6 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11337 |
14.0 |
-1.9 |
0.557 |
0 |
0 |
0 |
0.016 |
65 |
77 |
|
[SO4]D:7 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11271 |
13.8 |
-1.9 |
0.553 |
0 |
0 |
0 |
0.016 |
66 |
78 |
|
[SO4]E:10 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
11404 |
13.7 |
-1.9 |
0.522 |
0 |
0 |
0 |
0.016 |
67 |
79 |
|
B |
1 |
1 |
11317 |
◊ |
[SO4]E:17 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
1 |
1 |
185 |
12.9 |
-1.8 |
0.370 |
0 |
0 |
0 |
0.000 |
68 |
80 |
|
[SO4]B:270 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11418 |
12.3 |
-1.4 |
0.827 |
0 |
0 |
0 |
0.000 |
69 |
81 |
|
[GOL]B:272 |
3 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
11418 |
10.0 |
-0.3 |
0.430 |
0 |
0 |
0 |
0.000 |
70 |
82 |
|
B |
3 |
2 |
11317 |
◊ |
E |
-y+1/2,x+1/2,z+1/4 |
3_555 |
3 |
2 |
11418 |
9.9 |
-0.3 |
0.416 |
0 |
0 |
0 |
0.000 |
71 |
83 |
|
[CL]B:271 |
1 |
1 |
125 |
f |
[SO4]B:18 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
|