## |
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 |
|
E |
120 |
30 |
6503 |
◊ |
D |
x,y,z |
1_555 |
125 |
40 |
15774 |
1160.7 |
-7.3 |
0.282 |
20 |
3 |
0 |
0.259 |
2 |
|
B |
128 |
30 |
6445 |
◊ |
A |
x,y,z |
1_555 |
126 |
41 |
15923 |
1160.0 |
-7.4 |
0.309 |
20 |
4 |
0 |
0.259 |
Average: |
1160.3 |
-7.3 |
0.295 |
20 |
4 |
0 |
0.259 |
2 |
3 |
|
F |
62 |
10 |
1315 |
◊ |
D |
x,y,z |
1_555 |
121 |
35 |
15774 |
807.1 |
-7.8 |
0.473 |
24 |
0 |
0 |
0.500 |
4 |
|
C |
63 |
10 |
1312 |
◊ |
A |
x,y,z |
1_555 |
121 |
34 |
15923 |
805.6 |
-8.1 |
0.475 |
26 |
1 |
0 |
0.500 |
Average: |
806.4 |
-7.9 |
0.474 |
25 |
1 |
0 |
0.500 |
3 |
5 |
|
D |
83 |
21 |
15774 |
◊ |
A |
x,y,z |
1_555 |
83 |
21 |
15923 |
675.9 |
-1.1 |
0.564 |
10 |
10 |
0 |
0.000 |
4 |
6 |
|
A |
59 |
13 |
15923 |
◊ |
D |
x,y-1,z |
1_545 |
61 |
14 |
15774 |
497.4 |
-6.9 |
0.132 |
0 |
3 |
0 |
0.101 |
5 |
7 |
|
D |
42 |
13 |
15774 |
x |
D |
x-1,y,z |
1_455 |
44 |
10 |
15774 |
388.6 |
-3.6 |
0.270 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
33 |
9 |
15923 |
x |
A |
x-1,y,z |
1_455 |
30 |
10 |
15923 |
254.7 |
-3.0 |
0.233 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
E |
25 |
6 |
6503 |
◊ |
A |
x,y,z-1 |
1_554 |
27 |
12 |
15923 |
249.0 |
-3.9 |
0.195 |
0 |
0 |
0 |
0.000 |
10 |
|
D |
28 |
12 |
15774 |
◊ |
B |
x,y,z-1 |
1_554 |
25 |
6 |
6445 |
248.3 |
-3.8 |
0.200 |
0 |
0 |
0 |
0.000 |
Average: |
248.6 |
-3.9 |
0.197 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[GOL]B:102 |
6 |
1 |
225 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
6445 |
137.2 |
-0.6 |
0.491 |
5 |
0 |
0 |
0.025 |
9 |
12 |
|
[GOL]E:102 |
6 |
1 |
225 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
6503 |
132.8 |
-0.3 |
0.565 |
5 |
0 |
0 |
0.040 |
10 |
13 |
|
A |
18 |
7 |
15923 |
◊ |
F |
x,y-1,z |
1_545 |
15 |
5 |
1315 |
131.7 |
-2.2 |
0.358 |
1 |
0 |
0 |
0.049 |
14 |
|
C |
13 |
4 |
1312 |
◊ |
D |
x,y-1,z |
1_545 |
17 |
6 |
15774 |
126.6 |
-2.2 |
0.344 |
1 |
0 |
0 |
0.049 |
Average: |
129.2 |
-2.2 |
0.351 |
1 |
0 |
0 |
0.049 |
11 |
15 |
|
C |
19 |
4 |
1312 |
◊ |
F |
x,y-1,z |
1_545 |
19 |
4 |
1315 |
118.9 |
-2.2 |
0.666 |
0 |
0 |
0 |
0.051 |
12 |
16 |
|
[GOL]A:405 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
15923 |
118.0 |
-0.9 |
0.453 |
1 |
0 |
0 |
0.024 |
13 |
17 |
|
[GOL]B:103 |
6 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
6445 |
110.9 |
-1.3 |
0.389 |
1 |
0 |
0 |
0.016 |
14 |
18 |
|
[GOL]E:103 |
6 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
15774 |
97.4 |
0.1 |
0.598 |
2 |
0 |
0 |
0.012 |
15 |
19 |
|
[GOL]A:404 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
15923 |
90.1 |
-0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[GOL]E:103 |
5 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
6503 |
87.0 |
-1.0 |
0.406 |
2 |
0 |
0 |
0.030 |
17 |
21 |
|
[GOL]D:401 |
6 |
1 |
223 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
15774 |
79.9 |
0.3 |
0.564 |
3 |
0 |
0 |
0.029 |
18 |
22 |
|
[GOL]A:404 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
6445 |
73.9 |
-1.0 |
0.391 |
0 |
0 |
0 |
0.009 |
19 |
23 |
|
[GOL]A:403 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15923 |
73.1 |
0.4 |
0.610 |
2 |
0 |
0 |
0.010 |
20 |
24 |
|
[SO4]B:101 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6445 |
72.1 |
-10.1 |
0.647 |
2 |
0 |
0 |
0.100 |
21 |
25 |
|
[CL]A:408 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15923 |
68.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.248 |
26 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
15774 |
68.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.248 |
Average: |
68.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.248 |
22 |
27 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
15774 |
68.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.235 |
28 |
|
[CL]A:409 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15923 |
64.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.235 |
Average: |
66.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.235 |
23 |
29 |
|
[CL]B:106 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
6445 |
67.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.133 |
30 |
|
[CL]E:105 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
6503 |
67.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
67.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.133 |
24 |
31 |
|
[SO4]E:101 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
6503 |
67.3 |
-7.7 |
0.944 |
2 |
0 |
0 |
0.134 |
25 |
32 |
|
[CL]A:407 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
15923 |
61.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.155 |
26 |
33 |
|
[SO4]A:402 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
6445 |
52.8 |
-8.3 |
0.615 |
0 |
0 |
0 |
0.076 |
27 |
34 |
|
[SO4]A:401 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
15923 |
51.9 |
-5.5 |
0.936 |
3 |
0 |
0 |
0.126 |
28 |
35 |
|
[GOL]A:405 |
3 |
1 |
223 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
6445 |
49.6 |
0.5 |
0.690 |
1 |
0 |
0 |
0.000 |
29 |
36 |
|
[CL]A:406 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
15923 |
46.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.150 |
37 |
|
[CL]A:406 |
1 |
1 |
125 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
3 |
15774 |
42.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
44.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.150 |
30 |
38 |
|
[SO4]A:402 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15923 |
42.6 |
-3.9 |
0.965 |
2 |
0 |
0 |
0.043 |
31 |
39 |
|
[CL]B:105 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
6445 |
42.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.071 |
40 |
|
[CL]E:104 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
6503 |
36.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
39.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.071 |
32 |
41 |
|
[CL]B:104 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6445 |
41.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.036 |
33 |
42 |
|
[GOL]E:102 |
4 |
1 |
225 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
15774 |
41.0 |
0.3 |
0.639 |
1 |
0 |
0 |
0.003 |
34 |
43 |
|
[GOL]B:102 |
2 |
1 |
225 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
15923 |
37.6 |
0.2 |
0.634 |
1 |
0 |
0 |
0.002 |
35 |
44 |
|
[GOL]A:404 |
3 |
1 |
219 |
f |
[SO4]A:402 |
x,y,z |
1_555 |
3 |
1 |
186 |
32.4 |
-4.3 |
0.674 |
0 |
0 |
0 |
0.039 |
36 |
45 |
|
[GOL]B:103 |
2 |
1 |
224 |
f |
[SO4]A:402 |
x,y,z |
1_555 |
4 |
1 |
186 |
31.5 |
-2.9 |
0.865 |
1 |
0 |
0 |
0.031 |
37 |
46 |
|
A |
3 |
2 |
15923 |
◊ |
[SO4]A:401 |
x-1,y,z |
1_455 |
4 |
1 |
186 |
30.4 |
-2.6 |
0.958 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
D |
6 |
2 |
15774 |
◊ |
[GOL]D:401 |
x-1,y,z |
1_455 |
3 |
1 |
223 |
28.9 |
0.3 |
0.605 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
[CL]A:406 |
1 |
1 |
125 |
◊ |
F |
x,y-1,z |
1_545 |
2 |
1 |
1315 |
19.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.049 |
49 |
|
[CL]A:406 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1312 |
8.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
13.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.049 |
40 |
50 |
|
[SO4]E:101 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
15774 |
16.5 |
-2.0 |
0.731 |
0 |
0 |
0 |
0.030 |
41 |
51 |
|
[SO4]B:101 |
2 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15923 |
15.3 |
-2.0 |
0.628 |
0 |
0 |
0 |
0.018 |
42 |
52 |
|
D |
1 |
1 |
15774 |
◊ |
A |
x-1,y+1,z |
1_465 |
3 |
1 |
15923 |
13.1 |
-0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
43 |
53 |
|
[CL]A:408 |
1 |
1 |
125 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
1 |
15774 |
9.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
54 |
|
A |
2 |
1 |
15923 |
◊ |
[CL]D:402 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
6.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.020 |
44 |
55 |
|
[CL]B:104 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15923 |
7.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
45 |
56 |
|
[CL]B:104 |
1 |
1 |
125 |
f |
[SO4]B:101 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
|