| ## |
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 |
173 |
48 |
10502 |
◊ |
A |
x,y,z |
1_555 |
173 |
48 |
10378 |
1599.2 |
-21.0 |
0.034 |
16 |
0 |
0 |
0.275 |
2 |
|
D |
174 |
48 |
10512 |
◊ |
C |
x,y,z |
1_555 |
172 |
47 |
10584 |
1595.1 |
-20.6 |
0.036 |
14 |
1 |
0 |
0.275 |
3 |
|
F |
174 |
48 |
10499 |
◊ |
E |
x,y,z |
1_555 |
172 |
48 |
10463 |
1560.8 |
-20.6 |
0.037 |
15 |
0 |
0 |
0.275 |
| Average: |
1585.0 |
-20.8 |
0.035 |
15 |
0 |
0 |
0.275 |
| 2 |
4 |
|
E |
128 |
33 |
10463 |
◊ |
D |
x,y,z |
1_555 |
131 |
34 |
10512 |
1290.0 |
-16.3 |
0.048 |
12 |
8 |
0 |
0.255 |
5 |
|
C |
128 |
34 |
10584 |
◊ |
B |
x,y,z |
1_555 |
129 |
33 |
10502 |
1276.4 |
-17.7 |
0.026 |
12 |
8 |
0 |
0.255 |
6 |
|
F |
130 |
34 |
10499 |
◊ |
A |
x,y,z |
1_555 |
128 |
34 |
10378 |
1260.1 |
-18.3 |
0.024 |
12 |
8 |
0 |
0.255 |
| Average: |
1275.5 |
-17.4 |
0.033 |
12 |
8 |
0 |
0.255 |
| 3 |
7 |
|
D |
40 |
12 |
10512 |
◊ |
F |
-x+1/2,y-1/2,-z-5/4 |
5_543 |
32 |
7 |
10499 |
339.5 |
2.8 |
0.821 |
5 |
1 |
0 |
0.000 |
| 4 |
8 |
|
B |
36 |
10 |
10502 |
◊ |
E |
x-1/2,-y-3/2,-z-7/4 |
6_433 |
40 |
13 |
10463 |
338.7 |
-0.8 |
0.542 |
0 |
1 |
0 |
0.000 |
| 5 |
9 |
|
A |
34 |
11 |
10378 |
◊ |
F |
-y-1/2,x-1/2,z-1/4 |
3_444 |
38 |
13 |
10499 |
336.7 |
-1.0 |
0.512 |
0 |
0 |
0 |
0.000 |
| 6 |
10 |
|
A |
30 |
8 |
10378 |
x |
A |
-y-1/2,x-1/2,z-1/4 |
3_444 |
41 |
13 |
10378 |
318.0 |
0.2 |
0.613 |
6 |
4 |
0 |
0.000 |
| 7 |
11 |
|
D |
38 |
11 |
10512 |
◊ |
D |
-y-1,-x-1,-z-3/2 |
8_443 |
39 |
11 |
10512 |
297.6 |
1.4 |
0.740 |
6 |
0 |
0 |
0.000 |
| 8 |
12 |
|
C |
24 |
8 |
10584 |
◊ |
E |
-y-1/2,x-3/2,z-1/4 |
3_434 |
30 |
9 |
10463 |
247.4 |
2.3 |
0.709 |
4 |
8 |
0 |
0.000 |
| 9 |
13 |
|
C |
19 |
8 |
10584 |
◊ |
B |
y+1,x-1,-z-2 |
7_643 |
28 |
9 |
10502 |
206.6 |
-1.5 |
0.420 |
2 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
18 |
6 |
10502 |
◊ |
D |
x-1/2,-y-3/2,-z-7/4 |
6_433 |
16 |
5 |
10512 |
133.6 |
1.0 |
0.716 |
1 |
3 |
0 |
0.000 |
| 11 |
15 |
|
[GOL]A:1239 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
25 |
4 |
10499 |
103.8 |
-1.9 |
0.343 |
0 |
0 |
0 |
0.019 |
| 12 |
16 |
|
[GOL]B:1239 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
22 |
4 |
10584 |
103.5 |
-1.8 |
0.308 |
0 |
0 |
0 |
0.018 |
| 13 |
17 |
|
[GOL]B:1238 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
23 |
4 |
10502 |
103.1 |
-1.6 |
0.403 |
0 |
0 |
0 |
0.015 |
| 14 |
18 |
|
[GOL]A:1238 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
4 |
10378 |
102.3 |
-1.6 |
0.357 |
0 |
0 |
0 |
0.014 |
| 15 |
19 |
|
[SO4]E:1236 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
10463 |
101.7 |
-16.5 |
0.730 |
9 |
0 |
0 |
0.229 |
| 16 |
20 |
|
[SO4]B:1236 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
10502 |
101.5 |
-16.7 |
0.705 |
8 |
0 |
0 |
0.183 |
| 17 |
21 |
|
[GOL]E:1237 |
6 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
22 |
4 |
10463 |
101.0 |
-1.7 |
0.360 |
0 |
0 |
0 |
0.019 |
| 18 |
22 |
|
[SO4]D:1236 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
10512 |
100.9 |
-16.4 |
0.714 |
7 |
0 |
0 |
0.218 |
| 19 |
23 |
|
[SO4]A:1236 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
10378 |
100.0 |
-16.6 |
0.725 |
9 |
0 |
0 |
0.183 |
| 20 |
24 |
|
[SO4]C:1236 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
10584 |
100.0 |
-16.4 |
0.721 |
10 |
0 |
0 |
0.212 |
| 21 |
25 |
|
[SO4]F:1236 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
10499 |
99.9 |
-16.3 |
0.725 |
8 |
0 |
0 |
0.200 |
| 22 |
26 |
|
[GOL]D:1237 |
6 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
20 |
4 |
10512 |
95.2 |
-1.4 |
0.424 |
1 |
0 |
0 |
0.021 |
| 23 |
27 |
|
[GOL]D:1237 |
6 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
10463 |
84.2 |
-0.5 |
0.563 |
4 |
0 |
0 |
0.025 |
| 24 |
28 |
|
[GOL]B:1239 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
10502 |
79.6 |
0.1 |
0.591 |
3 |
0 |
0 |
0.012 |
| 25 |
29 |
|
[GOL]E:1237 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
10512 |
79.1 |
-0.1 |
0.579 |
4 |
0 |
0 |
0.020 |
| 26 |
30 |
|
[GOL]A:1238 |
5 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
10499 |
76.2 |
0.0 |
0.593 |
3 |
0 |
0 |
0.012 |
| 27 |
31 |
|
[SO4]B:1237 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10502 |
75.5 |
-9.8 |
0.808 |
2 |
0 |
0 |
0.096 |
| 28 |
32 |
|
D |
10 |
4 |
10512 |
◊ |
C |
-y-1,-x-1,-z-3/2 |
8_443 |
7 |
3 |
10584 |
75.4 |
-0.2 |
0.522 |
1 |
1 |
0 |
0.000 |
| 29 |
33 |
|
[GOL]B:1238 |
6 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
10584 |
74.5 |
-0.4 |
0.554 |
2 |
0 |
0 |
0.011 |
| 30 |
34 |
|
[SO4]A:1237 |
5 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
10499 |
73.6 |
-10.2 |
0.841 |
3 |
0 |
0 |
0.103 |
| 31 |
35 |
|
[SO4]A:1237 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10378 |
71.7 |
-10.0 |
0.849 |
4 |
0 |
0 |
0.105 |
| 32 |
36 |
|
[GOL]A:1239 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
10378 |
69.1 |
0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[CL]B:1240 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10502 |
67.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.213 |
38 |
|
[CL]F:1237 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
10499 |
67.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.213 |
39 |
|
[CL]A:1240 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10378 |
66.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.213 |
40 |
|
[CL]C:1237 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
10584 |
66.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.213 |
41 |
|
[CL]E:1238 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
10463 |
66.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.213 |
42 |
|
[CL]D:1238 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10512 |
65.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.213 |
| Average: |
66.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.213 |
| 34 |
43 |
|
C |
6 |
2 |
10584 |
◊ |
C |
-y-1,-x-1,-z-3/2 |
8_443 |
6 |
2 |
10584 |
66.7 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
[SO4]B:1237 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
10584 |
61.2 |
-8.2 |
0.880 |
4 |
0 |
0 |
0.090 |
| 36 |
45 |
|
[SO4]D:1236 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10584 |
39.4 |
-3.2 |
0.978 |
3 |
0 |
0 |
0.046 |
| 37 |
46 |
|
[SO4]E:1236 |
3 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
10499 |
39.2 |
-3.2 |
0.979 |
3 |
0 |
0 |
0.045 |
| 38 |
47 |
|
E |
5 |
2 |
10463 |
◊ |
F |
-x+1/2,y-1/2,-z-5/4 |
5_543 |
4 |
2 |
10499 |
39.2 |
0.8 |
0.814 |
1 |
0 |
0 |
0.000 |
| 39 |
48 |
|
[SO4]C:1236 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
10512 |
39.0 |
-3.3 |
0.965 |
2 |
0 |
0 |
0.042 |
| 40 |
49 |
|
[SO4]B:1236 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10378 |
38.9 |
-3.1 |
0.979 |
2 |
0 |
0 |
0.033 |
| 41 |
50 |
|
[SO4]A:1236 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10502 |
38.9 |
-3.0 |
0.977 |
3 |
0 |
0 |
0.036 |
| 42 |
51 |
|
[SO4]F:1236 |
3 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10463 |
38.8 |
-3.1 |
0.979 |
2 |
0 |
0 |
0.040 |
| 43 |
52 |
|
[CL]C:1237 |
1 |
1 |
125 |
◊ |
B |
y+1,x-1,-z-2 |
7_643 |
7 |
2 |
10502 |
25.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
D |
1 |
1 |
10512 |
◊ |
E |
-y-1/2,x-3/2,z-1/4 |
3_434 |
1 |
1 |
10463 |
0.4 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
|