| ## |
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 |
126 |
36 |
10237 |
◊ |
A |
x,y,z |
1_555 |
125 |
34 |
10054 |
1196.3 |
-17.2 |
0.131 |
18 |
4 |
0 |
0.234 |
| 2 |
2 |
|
[LZ6]B:214 |
37 |
1 |
832 |
f |
B |
x,y,z |
1_555 |
64 |
22 |
10237 |
458.9 |
-4.7 |
0.829 |
9 |
0 |
0 |
0.153 |
3 |
|
[LZ6]A:212 |
36 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
62 |
21 |
10054 |
444.4 |
-4.1 |
0.824 |
9 |
0 |
0 |
0.153 |
| Average: |
451.6 |
-4.4 |
0.826 |
9 |
0 |
0 |
0.153 |
| 3 |
4 |
|
A |
30 |
10 |
10054 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
35 |
10 |
10237 |
303.8 |
-3.1 |
0.388 |
2 |
2 |
0 |
0.000 |
5 |
|
A |
25 |
8 |
10054 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
22 |
12 |
10237 |
226.4 |
-2.9 |
0.361 |
2 |
0 |
0 |
0.000 |
| Average: |
265.1 |
-3.0 |
0.375 |
2 |
1 |
0 |
0.000 |
| 4 |
6 |
|
A |
32 |
11 |
10054 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
32 |
11 |
10054 |
277.1 |
-2.4 |
0.521 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[GSH]A:213 |
20 |
1 |
511 |
f |
A |
x,y,z |
1_555 |
43 |
15 |
10054 |
235.0 |
-0.7 |
0.812 |
10 |
0 |
0 |
0.093 |
8 |
|
[GSH]B:215 |
20 |
1 |
503 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
10237 |
227.6 |
-0.6 |
0.804 |
10 |
0 |
0 |
0.093 |
| Average: |
231.3 |
-0.7 |
0.808 |
10 |
0 |
0 |
0.093 |
| 6 |
9 |
|
[GSH]B:215 |
20 |
1 |
503 |
f |
[LZ6]B:214 |
x,y,z |
1_555 |
24 |
1 |
832 |
203.7 |
-5.7 |
0.705 |
0 |
0 |
0 |
0.101 |
10 |
|
[GSH]A:213 |
20 |
1 |
511 |
f |
[LZ6]A:212 |
x,y,z |
1_555 |
23 |
1 |
820 |
202.8 |
-5.4 |
0.698 |
0 |
0 |
0 |
0.101 |
| Average: |
203.3 |
-5.6 |
0.702 |
0 |
0 |
0 |
0.101 |
| 7 |
11 |
|
B |
16 |
6 |
10237 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
16 |
6 |
10237 |
169.5 |
3.9 |
0.974 |
4 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[MES]A:211 |
11 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
10054 |
156.9 |
4.6 |
0.355 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[MES]B:213 |
11 |
1 |
337 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
10237 |
156.8 |
4.3 |
0.211 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
14 |
4 |
10237 |
◊ |
B |
-x,y,-z |
2_555 |
14 |
4 |
10237 |
120.8 |
-1.1 |
0.509 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
B |
15 |
6 |
10237 |
◊ |
B |
-x+1,y,-z |
2_655 |
15 |
6 |
10237 |
105.5 |
-0.5 |
0.622 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
9 |
3 |
10237 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
8 |
2 |
10054 |
81.6 |
0.2 |
0.726 |
2 |
0 |
0 |
0.000 |
| 13 |
17 |
|
A |
7 |
2 |
10054 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
7 |
2 |
10237 |
74.4 |
-0.0 |
0.658 |
1 |
2 |
0 |
0.000 |
| 14 |
18 |
|
[CL]B:212 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
10237 |
66.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.159 |
19 |
|
[CL]A:210 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
10054 |
66.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.159 |
| Average: |
66.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.159 |
| 15 |
20 |
|
[SO4]B:211 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
10237 |
59.2 |
-8.0 |
0.805 |
2 |
0 |
0 |
0.081 |
| 16 |
21 |
|
B |
7 |
2 |
10237 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
7 |
3 |
10054 |
58.0 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
A |
7 |
3 |
10054 |
◊ |
A |
-x,y,-z |
2_555 |
7 |
3 |
10054 |
53.6 |
0.7 |
0.817 |
2 |
2 |
0 |
0.000 |
| 18 |
23 |
|
A |
8 |
3 |
10054 |
◊ |
[MES]B:213 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
337 |
53.5 |
1.2 |
0.290 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[SO4]B:211 |
4 |
1 |
184 |
f |
[MES]B:213 |
x,y,z |
1_555 |
10 |
1 |
337 |
51.7 |
-5.5 |
0.011 |
0 |
0 |
0 |
0.050 |
| 20 |
25 |
|
[MES]A:211 |
4 |
1 |
334 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
10237 |
48.4 |
1.4 |
0.367 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[CA]B:210 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
10237 |
44.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.084 |
| 22 |
27 |
|
[LZ6]B:214 |
3 |
1 |
832 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10054 |
35.1 |
0.6 |
0.782 |
1 |
0 |
0 |
0.000 |
28 |
|
[LZ6]A:212 |
3 |
1 |
820 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10237 |
34.5 |
0.6 |
0.791 |
1 |
0 |
0 |
0.000 |
| Average: |
34.8 |
0.6 |
0.787 |
1 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[GSH]A:213 |
3 |
1 |
511 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10237 |
26.9 |
0.2 |
0.715 |
1 |
0 |
0 |
0.004 |
30 |
|
[GSH]B:215 |
1 |
1 |
503 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10054 |
25.4 |
0.3 |
0.671 |
1 |
0 |
0 |
0.004 |
| Average: |
26.2 |
0.2 |
0.693 |
1 |
0 |
0 |
0.004 |
| 24 |
31 |
|
[GSH]B:215 |
2 |
1 |
503 |
f |
[CL]B:212 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.056 |
32 |
|
[GSH]A:213 |
2 |
1 |
511 |
f |
[CL]A:210 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.056 |
| Average: |
21.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.056 |
| 25 |
33 |
|
[LZ6]A:212 |
5 |
1 |
820 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
10237 |
20.1 |
-0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[LZ6]A:212 |
5 |
1 |
820 |
f |
[CL]A:210 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.040 |
35 |
|
[LZ6]B:214 |
5 |
1 |
832 |
f |
[CL]B:212 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
19.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.040 |
| 27 |
36 |
|
B |
3 |
1 |
10237 |
◊ |
A |
-x+1,y,-z |
2_655 |
1 |
1 |
10054 |
11.4 |
0.3 |
0.794 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
A |
1 |
1 |
10054 |
◊ |
[LZ6]B:214 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
832 |
5.7 |
-0.4 |
0.382 |
0 |
0 |
0 |
0.000 |
|