| ## |
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 |
125 |
37 |
12503 |
◊ |
B |
y,x,-z+2/3 |
7_555 |
125 |
37 |
12503 |
1259.8 |
-14.7 |
0.120 |
14 |
6 |
0 |
0.142 |
2 |
|
A |
129 |
36 |
12401 |
◊ |
A |
y,x,-z+2/3 |
7_555 |
126 |
36 |
12401 |
1238.5 |
-15.0 |
0.117 |
12 |
6 |
0 |
0.142 |
| Average: |
1249.1 |
-14.9 |
0.118 |
13 |
6 |
0 |
0.142 |
| 2 |
3 |
|
B |
75 |
24 |
12503 |
◊ |
A |
x,y,z |
1_555 |
77 |
24 |
12401 |
728.8 |
-9.1 |
0.175 |
0 |
0 |
0 |
0.057 |
| 3 |
4 |
|
A |
66 |
22 |
12401 |
◊ |
B |
x-y,-y+1,-z+1 |
8_566 |
71 |
21 |
12503 |
607.1 |
5.0 |
0.920 |
2 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
46 |
14 |
12503 |
◊ |
A |
y,x,-z+2/3 |
7_555 |
44 |
15 |
12401 |
423.6 |
5.0 |
0.931 |
8 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
33 |
11 |
12401 |
◊ |
A |
x,x-y,-z+5/6 |
12_555 |
33 |
11 |
12401 |
376.0 |
-6.7 |
0.083 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
32 |
12 |
12503 |
◊ |
B |
x,x-y+1,-z+5/6 |
12_565 |
32 |
12 |
12503 |
346.7 |
-7.2 |
0.059 |
0 |
0 |
0 |
0.000 |
| Average: |
361.3 |
-6.9 |
0.071 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
52 |
18 |
12401 |
◊ |
A |
x,x-y+1,-z+5/6 |
12_565 |
51 |
18 |
12401 |
375.8 |
-2.3 |
0.502 |
2 |
0 |
0 |
0.022 |
9 |
|
B |
44 |
19 |
12503 |
◊ |
B |
x,x-y,-z+5/6 |
12_555 |
44 |
19 |
12503 |
372.2 |
-3.9 |
0.413 |
0 |
0 |
0 |
0.022 |
| Average: |
374.0 |
-3.1 |
0.458 |
1 |
0 |
0 |
0.022 |
| 7 |
10 |
|
[GOL]A:7 |
6 |
1 |
221 |
f |
B |
x-y,-y+1,-z+1 |
8_566 |
20 |
8 |
12503 |
129.4 |
-0.4 |
0.538 |
2 |
0 |
0 |
0.017 |
| 8 |
11 |
|
[GOL]A:8 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
12401 |
127.3 |
-0.2 |
0.599 |
2 |
0 |
0 |
0.015 |
| 9 |
12 |
|
[PHN]B:410 |
14 |
1 |
344 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
12503 |
108.2 |
3.4 |
0.042 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[PHN]A:410 |
14 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
12401 |
104.8 |
3.0 |
0.087 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[PHN]A:410 |
14 |
1 |
342 |
◊ |
A |
x,x-y+1,-z+5/6 |
12_565 |
18 |
8 |
12401 |
103.7 |
3.0 |
0.080 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[SO4]A:3 |
5 |
1 |
184 |
f |
B |
x-y,-y+1,-z+1 |
8_566 |
20 |
8 |
12503 |
100.3 |
-13.6 |
0.862 |
5 |
0 |
0 |
0.206 |
| 13 |
16 |
|
[SO4]A:4 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
12401 |
98.0 |
-13.3 |
0.853 |
4 |
0 |
0 |
0.203 |
| 14 |
17 |
|
[PHN]A:410 |
14 |
1 |
342 |
f |
[PHN]A:410 |
x,x-y+1,-z+5/6 |
12_565 |
14 |
1 |
342 |
94.1 |
5.5 |
0.003 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[PHN]B:410 |
14 |
1 |
344 |
◊ |
B |
x,x-y,-z+5/6 |
12_555 |
14 |
4 |
12503 |
83.9 |
2.3 |
0.010 |
1 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[SO4]A:1 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12401 |
82.4 |
-11.6 |
0.864 |
5 |
0 |
0 |
0.185 |
| 17 |
20 |
|
[SO4]B:2 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12503 |
81.8 |
-11.3 |
0.869 |
5 |
0 |
0 |
0.177 |
| 18 |
21 |
|
[PHN]B:410 |
9 |
1 |
344 |
f |
[PHN]B:410 |
x,x-y,-z+5/6 |
12_555 |
9 |
1 |
344 |
72.2 |
4.4 |
0.011 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[SO4]A:6 |
4 |
1 |
184 |
f |
A |
x,x-y+1,-z+5/6 |
12_565 |
10 |
5 |
12401 |
62.8 |
-7.5 |
0.912 |
4 |
0 |
0 |
0.124 |
| 20 |
23 |
|
A |
8 |
3 |
12401 |
x |
A |
x-y,x,z-1/6 |
6_554 |
6 |
3 |
12401 |
61.4 |
-0.7 |
0.403 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
8 |
4 |
12503 |
x |
B |
x-y+1,x,z-1/6 |
6_654 |
4 |
2 |
12503 |
54.3 |
-0.6 |
0.389 |
0 |
0 |
0 |
0.000 |
| Average: |
57.9 |
-0.7 |
0.396 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[CU]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
12503 |
60.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.148 |
| 22 |
26 |
|
[SO4]B:5 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12503 |
60.7 |
-7.1 |
0.902 |
2 |
0 |
0 |
0.105 |
| 23 |
27 |
|
[CU]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
12401 |
60.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.287 |
28 |
|
[CU]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
12503 |
59.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.287 |
29 |
|
[CU]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
12401 |
59.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.287 |
| Average: |
59.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.287 |
| 24 |
30 |
|
[SO4]A:4 |
4 |
1 |
184 |
◊ |
B |
x-y,-y+1,-z+1 |
8_566 |
5 |
2 |
12503 |
58.7 |
-6.0 |
0.957 |
3 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[GOL]A:8 |
4 |
1 |
221 |
◊ |
B |
x-y,-y+1,-z+1 |
8_566 |
6 |
2 |
12503 |
56.6 |
0.5 |
0.640 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[SO4]A:3 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12401 |
55.9 |
-5.6 |
0.962 |
3 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[SO4]A:6 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
12401 |
52.3 |
-6.9 |
0.770 |
1 |
0 |
0 |
0.099 |
| 28 |
34 |
|
[GOL]A:7 |
5 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
12401 |
51.8 |
0.8 |
0.688 |
1 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[PHN]A:410 |
6 |
1 |
342 |
cfx |
[CU]A:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
43.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.176 |
36 |
|
[PHN]B:410 |
6 |
1 |
344 |
cfx |
[CU]B:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.176 |
| Average: |
39.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.176 |
| 30 |
37 |
|
[CU]B:403 |
1 |
1 |
125 |
f |
[CU]B:403 |
x,x-y,-z+5/6 |
12_555 |
1 |
1 |
125 |
39.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| 31 |
38 |
|
[CU]A:403 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
8 |
4 |
12401 |
39.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.086 |
39 |
|
[CU]B:403 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
6 |
3 |
12503 |
30.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
35.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.086 |
| 32 |
40 |
|
[PHN]B:410 |
4 |
1 |
344 |
◊ |
[SO4]B:5 |
x,y,z |
1_555 |
4 |
1 |
185 |
34.4 |
-3.5 |
0.226 |
0 |
0 |
0 |
0.039 |
| 33 |
41 |
|
[CU]A:402 |
1 |
1 |
125 |
f |
[CU]A:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.065 |
| 34 |
42 |
|
[CU]B:402 |
1 |
1 |
125 |
f |
[CU]B:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.061 |
| 35 |
43 |
|
[SO4]B:5 |
4 |
1 |
185 |
◊ |
B |
x,x-y,-z+5/6 |
12_555 |
7 |
3 |
12503 |
23.5 |
-2.8 |
0.810 |
0 |
0 |
0 |
0.032 |
| 36 |
44 |
|
[PHN]B:410 |
2 |
1 |
344 |
◊ |
[SO4]B:5 |
x,x-y,-z+5/6 |
12_555 |
3 |
1 |
185 |
12.5 |
-1.3 |
0.402 |
0 |
0 |
0 |
0.014 |
|