## |
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 |
|
C |
82 |
26 |
17260 |
◊ |
A |
x,y,z |
1_555 |
84 |
32 |
17168 |
794.1 |
-12.1 |
0.113 |
5 |
0 |
0 |
0.133 |
2 |
|
C |
82 |
30 |
17260 |
◊ |
B |
x,y,z |
1_555 |
77 |
25 |
17243 |
774.0 |
-11.2 |
0.130 |
3 |
0 |
0 |
0.133 |
3 |
|
B |
82 |
30 |
17243 |
◊ |
A |
x,y,z |
1_555 |
83 |
26 |
17168 |
769.4 |
-10.8 |
0.155 |
4 |
0 |
0 |
0.133 |
Average: |
779.2 |
-11.4 |
0.132 |
4 |
0 |
0 |
0.133 |
2 |
4 |
|
C |
72 |
20 |
17260 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
72 |
21 |
17243 |
697.0 |
0.7 |
0.915 |
6 |
2 |
0 |
0.000 |
3 |
5 |
|
A |
48 |
16 |
17168 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
51 |
18 |
17168 |
452.2 |
-4.6 |
0.375 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
39 |
13 |
17243 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
12 |
17168 |
310.2 |
-3.4 |
0.362 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
[CBS]B:515 |
22 |
1 |
563 |
cf |
B |
x,y,z |
1_555 |
29 |
12 |
17243 |
219.7 |
-1.0 |
0.796 |
2 |
0 |
0 |
0.006 |
6 |
8 |
|
[CBS]A:511 |
19 |
1 |
555 |
cf |
A |
x,y,z |
1_555 |
31 |
12 |
17168 |
212.4 |
-1.6 |
0.690 |
2 |
0 |
0 |
0.008 |
7 |
9 |
|
C |
26 |
10 |
17260 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
18 |
9 |
17168 |
203.8 |
-3.8 |
0.115 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
[CBS]A:510 |
18 |
1 |
569 |
cf |
A |
x,y,z |
1_555 |
27 |
11 |
17168 |
193.4 |
-0.4 |
0.709 |
2 |
0 |
0 |
0.005 |
9 |
11 |
|
[CBS]C:507 |
18 |
1 |
570 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
17260 |
192.1 |
-0.2 |
0.717 |
1 |
0 |
0 |
0.002 |
10 |
12 |
|
C |
23 |
10 |
17260 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
19 |
7 |
17243 |
191.8 |
-2.7 |
0.312 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[CBS]B:514 |
17 |
1 |
574 |
cf |
B |
x,y,z |
1_555 |
23 |
11 |
17243 |
187.9 |
-0.3 |
0.733 |
1 |
0 |
0 |
0.003 |
12 |
14 |
|
[GOL]B:510 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
17243 |
156.3 |
-0.9 |
0.549 |
2 |
0 |
0 |
0.006 |
13 |
15 |
|
[GOL]A:509 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
17168 |
149.9 |
-0.3 |
0.664 |
4 |
0 |
0 |
0.007 |
14 |
16 |
|
[GOL]B:508 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
17243 |
137.8 |
-0.9 |
0.589 |
2 |
0 |
0 |
0.006 |
15 |
17 |
|
C |
15 |
6 |
17260 |
◊ |
[CBS]B:514 |
-x,y-1/2,-z-1/2 |
3_544 |
14 |
1 |
574 |
108.0 |
0.4 |
0.798 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[CBS]C:507 |
12 |
1 |
570 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
6 |
17243 |
101.2 |
0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[GOL]B:511 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
17168 |
94.0 |
-0.9 |
0.420 |
1 |
0 |
0 |
0.005 |
18 |
20 |
|
[SO4]A:505 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
17168 |
91.4 |
-13.0 |
0.800 |
4 |
0 |
0 |
0.050 |
19 |
21 |
|
[GOL]B:512 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17243 |
89.2 |
-0.8 |
0.435 |
4 |
0 |
0 |
0.015 |
22 |
|
[GOL]A:508 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
17168 |
88.9 |
-1.0 |
0.416 |
2 |
0 |
0 |
0.015 |
Average: |
89.0 |
-0.9 |
0.425 |
3 |
0 |
0 |
0.015 |
20 |
23 |
|
[GOL]B:513 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
17243 |
86.3 |
-0.3 |
0.573 |
3 |
0 |
0 |
0.005 |
21 |
24 |
|
[SO4]A:506 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
17168 |
85.4 |
-11.5 |
0.858 |
2 |
0 |
0 |
0.042 |
22 |
25 |
|
[GOL]B:511 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
17243 |
83.3 |
0.2 |
0.642 |
4 |
0 |
0 |
0.005 |
23 |
26 |
|
[SO4]B:507 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
17243 |
81.8 |
-12.2 |
0.645 |
4 |
0 |
0 |
0.047 |
24 |
27 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
17168 |
81.1 |
-11.9 |
0.691 |
3 |
0 |
0 |
0.045 |
25 |
28 |
|
[GOL]B:509 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17243 |
76.2 |
-0.0 |
0.642 |
3 |
0 |
0 |
0.005 |
26 |
29 |
|
[SO4]C:505 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17260 |
74.4 |
-10.4 |
0.725 |
3 |
0 |
0 |
0.040 |
27 |
30 |
|
[GOL]C:506 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
17260 |
71.7 |
0.1 |
0.625 |
3 |
0 |
0 |
0.004 |
28 |
31 |
|
C |
5 |
2 |
17260 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
17168 |
71.0 |
-0.9 |
0.233 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[GOL]C:506 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
17168 |
58.8 |
0.2 |
0.645 |
3 |
0 |
0 |
0.004 |
30 |
33 |
|
[GOL]B:509 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
17260 |
58.1 |
0.5 |
0.710 |
2 |
0 |
0 |
0.001 |
31 |
34 |
|
[GOL]A:508 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
17260 |
57.0 |
-0.6 |
0.435 |
1 |
0 |
0 |
0.004 |
32 |
35 |
|
[SO4]B:505 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
17260 |
51.6 |
-7.1 |
0.762 |
1 |
0 |
0 |
0.026 |
33 |
36 |
|
[GOL]B:512 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
17168 |
50.7 |
-0.6 |
0.386 |
1 |
0 |
0 |
0.003 |
34 |
37 |
|
[SO4]B:505 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
17243 |
50.5 |
-7.3 |
0.719 |
1 |
0 |
0 |
0.026 |
35 |
38 |
|
[CU]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
17260 |
49.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.108 |
39 |
|
[CU]B:503 |
1 |
1 |
125 |
cf |
B |
x,y,z |
1_555 |
3 |
3 |
17243 |
48.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.108 |
40 |
|
[CU]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
17168 |
48.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
48.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.108 |
36 |
41 |
|
[SO4]B:506 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
17243 |
48.3 |
-6.4 |
0.592 |
0 |
0 |
0 |
0.021 |
37 |
42 |
|
[CU]C:502 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
17260 |
48.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.107 |
43 |
|
[CU]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
17243 |
47.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.107 |
44 |
|
[CU]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
17168 |
47.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
47.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.107 |
38 |
45 |
|
[SO4]B:506 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
17260 |
47.8 |
-6.1 |
0.639 |
1 |
0 |
0 |
0.022 |
39 |
46 |
|
[CU]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
17260 |
47.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.093 |
47 |
|
[CU]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
17168 |
46.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.093 |
48 |
|
[CU]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
17243 |
46.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
47.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.093 |
40 |
49 |
|
[SO4]B:505 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
17168 |
47.3 |
-6.8 |
0.738 |
1 |
0 |
0 |
0.024 |
41 |
50 |
|
[SO4]B:506 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
17168 |
44.2 |
-6.2 |
0.625 |
0 |
0 |
0 |
0.021 |
42 |
51 |
|
[SO4]A:505 |
4 |
1 |
186 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
7 |
3 |
17168 |
41.1 |
-5.5 |
0.549 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
[SO4]C:505 |
4 |
1 |
186 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
3 |
17243 |
32.6 |
-3.5 |
0.882 |
1 |
0 |
0 |
0.000 |
44 |
53 |
|
[GOL]B:512 |
2 |
1 |
217 |
◊ |
[GOL]A:508 |
x,y,z |
1_555 |
3 |
1 |
218 |
19.2 |
0.4 |
0.722 |
1 |
0 |
0 |
0.000 |
45 |
54 |
|
[CU]C:504 |
1 |
1 |
125 |
f |
[CU]C:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.012 |
46 |
55 |
|
[CU]B:504 |
1 |
1 |
125 |
f |
[CU]B:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.012 |
47 |
56 |
|
[CU]A:504 |
1 |
1 |
125 |
f |
[CU]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.011 |
48 |
57 |
|
[CU]A:504 |
1 |
1 |
125 |
f |
[CU]A:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.011 |
49 |
58 |
|
[GOL]B:512 |
3 |
1 |
217 |
◊ |
[SO4]B:506 |
x,y,z |
1_555 |
3 |
1 |
184 |
16.3 |
-1.7 |
0.704 |
0 |
0 |
0 |
0.006 |
50 |
59 |
|
[CU]B:504 |
1 |
1 |
125 |
f |
[CU]B:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.011 |
51 |
60 |
|
[CU]C:504 |
1 |
1 |
125 |
f |
[CU]C:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.011 |
52 |
61 |
|
[GOL]A:508 |
3 |
1 |
218 |
◊ |
[SO4]B:506 |
x,y,z |
1_555 |
3 |
1 |
184 |
15.3 |
-1.5 |
0.761 |
0 |
0 |
0 |
0.005 |
53 |
62 |
|
[CU]A:503 |
1 |
1 |
125 |
f |
[CU]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.008 |
54 |
63 |
|
[CU]B:503 |
1 |
1 |
125 |
f |
[CU]B:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.008 |
55 |
64 |
|
[CU]C:503 |
1 |
1 |
125 |
f |
[CU]C:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.007 |
56 |
65 |
|
[GOL]A:508 |
2 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
17243 |
3.7 |
-0.0 |
0.511 |
0 |
0 |
0 |
0.000 |
57 |
66 |
|
[GOL]B:512 |
1 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17260 |
0.5 |
-0.0 |
0.518 |
0 |
0 |
0 |
0.000 |
|