| ## |
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 |
204 |
59 |
12972 |
◊ |
A |
x,y,z |
1_555 |
189 |
52 |
13028 |
1712.7 |
-14.6 |
0.210 |
29 |
14 |
0 |
0.321 |
2 |
|
C |
187 |
51 |
12805 |
◊ |
A |
x,y,z |
1_555 |
209 |
60 |
13028 |
1684.5 |
-14.3 |
0.225 |
25 |
14 |
0 |
0.321 |
3 |
|
C |
206 |
58 |
12805 |
◊ |
B |
x,y,z |
1_555 |
180 |
51 |
12972 |
1679.9 |
-12.1 |
0.344 |
24 |
14 |
0 |
0.321 |
| Average: |
1692.3 |
-13.6 |
0.260 |
26 |
14 |
0 |
0.321 |
| 2 |
4 |
|
B |
58 |
20 |
12972 |
◊ |
B |
x-y,-y,-z+2/3 |
5_555 |
58 |
20 |
12972 |
577.5 |
-1.3 |
0.575 |
2 |
2 |
0 |
0.005 |
| 3 |
5 |
|
A |
43 |
16 |
13028 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
41 |
13 |
12972 |
441.0 |
2.5 |
0.640 |
7 |
5 |
0 |
0.000 |
| 4 |
6 |
|
B |
42 |
14 |
12972 |
◊ |
A |
x-y,-y,-z+2/3 |
5_555 |
40 |
13 |
13028 |
386.0 |
-5.9 |
0.148 |
3 |
1 |
0 |
0.027 |
| 5 |
7 |
|
C |
33 |
12 |
12805 |
◊ |
C |
x-y,-y,-z+2/3 |
5_555 |
33 |
12 |
12805 |
279.3 |
0.7 |
0.658 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
26 |
13 |
12972 |
◊ |
C |
-x+1,-x+y,-z+1/3 |
6_655 |
25 |
9 |
12805 |
243.9 |
-1.3 |
0.347 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
18 |
7 |
13028 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
12 |
2 |
13028 |
154.7 |
-0.3 |
0.538 |
1 |
1 |
0 |
0.000 |
| 8 |
10 |
|
A |
16 |
5 |
13028 |
◊ |
C |
-y,x-y-1,z+1/3 |
2_545 |
16 |
4 |
12805 |
145.3 |
1.5 |
0.776 |
3 |
4 |
0 |
0.000 |
| 9 |
11 |
|
[TAM]C:350 |
10 |
1 |
310 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
12805 |
129.7 |
0.1 |
0.253 |
5 |
0 |
0 |
0.008 |
| 10 |
12 |
|
C |
14 |
10 |
12805 |
◊ |
A |
x-y,-y,-z+2/3 |
5_555 |
13 |
9 |
13028 |
105.7 |
-0.2 |
0.550 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[I75]C:349 |
10 |
1 |
337 |
◊ |
C |
x-y,-y,-z+2/3 |
5_555 |
16 |
6 |
12805 |
95.8 |
-1.4 |
0.464 |
1 |
0 |
0 |
0.007 |
| 12 |
14 |
|
[I75]C:349 |
7 |
1 |
337 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
12805 |
90.9 |
-2.1 |
0.393 |
0 |
0 |
0 |
0.008 |
| 13 |
15 |
|
[PO4]B:350 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
12972 |
90.5 |
-6.2 |
0.671 |
2 |
0 |
0 |
0.028 |
| 14 |
16 |
|
[PO4]A:4 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
13028 |
89.9 |
-6.1 |
0.707 |
2 |
0 |
0 |
0.027 |
| 15 |
17 |
|
[PO4]C:351 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
12805 |
89.1 |
-6.1 |
0.689 |
2 |
0 |
0 |
0.027 |
| 16 |
18 |
|
[PO4]B:351 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
12972 |
88.0 |
-5.8 |
0.692 |
1 |
0 |
0 |
0.024 |
| 17 |
19 |
|
[PO4]B:349 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
13028 |
83.3 |
-5.2 |
0.755 |
1 |
0 |
0 |
0.022 |
| 18 |
20 |
|
[PO4]A:344 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
12805 |
82.3 |
-5.0 |
0.759 |
1 |
0 |
0 |
0.022 |
| 19 |
21 |
|
[PO4]C:352 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
12972 |
82.1 |
-5.4 |
0.721 |
1 |
0 |
0 |
0.023 |
| 20 |
22 |
|
[PO4]C:352 |
5 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
12805 |
74.1 |
-3.6 |
0.859 |
3 |
0 |
0 |
0.020 |
| 21 |
23 |
|
[PO4]A:344 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
13028 |
73.6 |
-3.7 |
0.862 |
4 |
0 |
0 |
0.021 |
| 22 |
24 |
|
[PO4]B:349 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
12972 |
72.4 |
-3.7 |
0.856 |
3 |
0 |
0 |
0.020 |
| 23 |
25 |
|
[TAM]C:350 |
7 |
1 |
310 |
f |
[I75]C:349 |
x,y,z |
1_555 |
12 |
1 |
337 |
71.6 |
0.9 |
0.553 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[TAM]C:350 |
5 |
1 |
310 |
◊ |
C |
x-y,-y,-z+2/3 |
5_555 |
12 |
5 |
12805 |
66.9 |
1.3 |
0.370 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[PO4]B:351 |
4 |
1 |
188 |
◊ |
B |
x-y,-y,-z+2/3 |
5_555 |
9 |
6 |
12972 |
66.2 |
-3.8 |
0.737 |
1 |
0 |
0 |
0.016 |
| 26 |
28 |
|
[I75]C:349 |
12 |
1 |
337 |
◊ |
[I75]C:349 |
x-y,-y,-z+2/3 |
5_555 |
12 |
1 |
337 |
62.2 |
-1.2 |
0.924 |
0 |
0 |
0 |
0.002 |
| 27 |
29 |
|
A |
3 |
2 |
13028 |
◊ |
B |
-x+1,-x+y,-z+1/3 |
6_655 |
7 |
2 |
12972 |
44.8 |
-0.9 |
0.205 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[CU]B:345 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12972 |
40.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.066 |
31 |
|
[CU]A:8 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13028 |
37.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.066 |
32 |
|
[CU]C:346 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
12805 |
35.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
37.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.066 |
| 29 |
33 |
|
[CU]C:344 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
12805 |
40.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.076 |
34 |
|
[CU]B:347 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12972 |
36.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.076 |
35 |
|
[CU]A:12 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
13028 |
35.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
37.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.076 |
| 30 |
36 |
|
[CU]B:348 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12972 |
37.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.059 |
37 |
|
[CU]B:344 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12805 |
36.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.059 |
38 |
|
[CU]C:347 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13028 |
34.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
35.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.059 |
| 31 |
39 |
|
[CU]B:348 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
13028 |
36.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.053 |
40 |
|
[CU]B:344 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
12972 |
34.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.053 |
41 |
|
[CU]C:347 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
12805 |
32.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
34.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.053 |
| 32 |
42 |
|
[CU]B:345 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
12805 |
32.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.041 |
43 |
|
[CU]A:8 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
12972 |
29.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.041 |
44 |
|
[CU]C:346 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
13028 |
28.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
30.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.041 |
| 33 |
45 |
|
[CU]C:344 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12972 |
30.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.039 |
46 |
|
[CU]B:347 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13028 |
29.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.039 |
47 |
|
[CU]A:12 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
12805 |
28.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
29.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.039 |
| 34 |
48 |
|
[OXY]A:1 |
2 |
1 |
118 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13028 |
29.7 |
0.8 |
0.920 |
2 |
0 |
0 |
0.000 |
| 35 |
49 |
|
[OXY]C:348 |
2 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12805 |
28.5 |
0.8 |
0.915 |
2 |
0 |
0 |
0.000 |
| 36 |
50 |
|
[OXY]A:1 |
2 |
1 |
118 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
12972 |
28.0 |
0.8 |
0.925 |
1 |
0 |
0 |
0.000 |
| 37 |
51 |
|
[OXY]C:348 |
2 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
13028 |
27.2 |
0.7 |
0.902 |
0 |
0 |
0 |
0.000 |
| 38 |
52 |
|
[OXY]A:1 |
2 |
1 |
118 |
f |
[CU]A:8 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 39 |
53 |
|
[OXY]C:348 |
2 |
1 |
117 |
◊ |
[CU]C:346 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.014 |
54 |
|
[OXY]A:1 |
2 |
1 |
118 |
◊ |
[CU]B:347 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 40 |
55 |
|
[OXY]C:348 |
2 |
1 |
117 |
f |
[CU]A:12 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 41 |
56 |
|
[CU]C:344 |
1 |
1 |
125 |
f |
[CU]B:344 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| 42 |
57 |
|
[CU]B:345 |
1 |
1 |
125 |
◊ |
[CU]B:344 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| 43 |
58 |
|
[OXY]C:348 |
2 |
1 |
117 |
f |
[CU]C:347 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 44 |
59 |
|
[CU]C:347 |
1 |
1 |
125 |
f |
[CU]A:12 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| 45 |
60 |
|
[OXY]A:1 |
1 |
1 |
118 |
◊ |
[CU]B:348 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
| 46 |
61 |
|
[CU]C:344 |
1 |
1 |
125 |
◊ |
[CU]B:345 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 47 |
62 |
|
[CU]C:347 |
1 |
1 |
125 |
◊ |
[CU]C:346 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 48 |
63 |
|
[CU]B:348 |
1 |
1 |
125 |
f |
[CU]B:347 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 49 |
64 |
|
[CU]B:347 |
1 |
1 |
125 |
◊ |
[CU]A:8 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 50 |
65 |
|
[CU]C:346 |
1 |
1 |
125 |
◊ |
[CU]A:12 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 51 |
66 |
|
[CU]B:348 |
1 |
1 |
125 |
◊ |
[CU]A:8 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
| 52 |
67 |
|
A |
1 |
1 |
13028 |
◊ |
C |
-x+1,-x+y,-z+1/3 |
6_655 |
1 |
1 |
12805 |
2.7 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
|