| ## |
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 |
173 |
43 |
5914 |
◊ |
A |
x,y,z |
1_555 |
172 |
39 |
6159 |
1731.5 |
-31.8 |
0.117 |
15 |
8 |
0 |
1.000 |
2 |
|
F |
170 |
40 |
5966 |
◊ |
E |
x,y,z |
1_555 |
166 |
38 |
6007 |
1679.6 |
-27.5 |
0.290 |
16 |
9 |
0 |
1.000 |
3 |
|
D |
162 |
38 |
6066 |
◊ |
C |
x,y,z |
1_555 |
177 |
41 |
6121 |
1651.5 |
-28.2 |
0.166 |
16 |
8 |
0 |
1.000 |
| Average: |
1687.5 |
-29.2 |
0.191 |
16 |
8 |
0 |
1.000 |
| 2 |
4 |
|
F |
30 |
8 |
5966 |
◊ |
D |
x,y,z |
1_555 |
32 |
8 |
6066 |
284.1 |
-2.6 |
0.639 |
3 |
0 |
0 |
0.000 |
5 |
|
E |
27 |
7 |
6007 |
◊ |
A |
x,y,z |
1_555 |
26 |
6 |
6159 |
281.8 |
-1.8 |
0.662 |
2 |
0 |
0 |
0.000 |
6 |
|
C |
23 |
8 |
6121 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
5914 |
251.2 |
-2.2 |
0.592 |
1 |
0 |
0 |
0.000 |
| Average: |
272.4 |
-2.2 |
0.631 |
2 |
0 |
0 |
0.000 |
| 3 |
7 |
|
C |
24 |
8 |
6121 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
28 |
8 |
5966 |
267.4 |
-3.3 |
0.519 |
1 |
1 |
0 |
0.000 |
| 4 |
8 |
|
C |
28 |
7 |
6121 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
6159 |
260.9 |
-3.9 |
0.431 |
1 |
0 |
0 |
0.000 |
9 |
|
D |
26 |
8 |
6066 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
5914 |
249.6 |
-3.1 |
0.527 |
1 |
0 |
0 |
0.000 |
10 |
|
F |
25 |
7 |
5966 |
◊ |
C |
x,y,z |
1_555 |
29 |
9 |
6121 |
236.0 |
-4.0 |
0.449 |
1 |
0 |
0 |
0.000 |
11 |
|
E |
27 |
6 |
6007 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
5914 |
228.1 |
-4.0 |
0.439 |
1 |
0 |
0 |
0.000 |
12 |
|
F |
23 |
6 |
5966 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
6159 |
217.8 |
-2.5 |
0.554 |
2 |
0 |
0 |
0.000 |
13 |
|
E |
26 |
8 |
6007 |
◊ |
D |
x,y,z |
1_555 |
25 |
6 |
6066 |
217.5 |
-2.9 |
0.525 |
1 |
0 |
0 |
0.000 |
| Average: |
235.0 |
-3.4 |
0.488 |
1 |
0 |
0 |
0.000 |
| 5 |
14 |
|
A |
26 |
7 |
6159 |
◊ |
F |
x,y,z-1 |
1_554 |
30 |
8 |
5966 |
244.1 |
1.3 |
0.910 |
3 |
1 |
0 |
0.000 |
| 6 |
15 |
|
C |
22 |
7 |
6121 |
◊ |
A |
x,y-1,z |
1_545 |
27 |
7 |
6159 |
223.5 |
1.3 |
0.886 |
2 |
0 |
0 |
0.000 |
| 7 |
16 |
|
B |
23 |
5 |
5914 |
◊ |
E |
x,y-1,z-1 |
1_544 |
20 |
7 |
6007 |
193.0 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
| 8 |
17 |
|
[EPE]E:201 |
13 |
1 |
410 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
6159 |
172.1 |
3.9 |
0.173 |
0 |
0 |
0 |
0.000 |
| 9 |
18 |
|
[EPE]A:203 |
13 |
1 |
405 |
◊ |
E |
x,y,z |
1_555 |
34 |
9 |
6007 |
172.0 |
3.2 |
0.148 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[EPE]E:202 |
12 |
1 |
397 |
◊ |
D |
x,y,z |
1_555 |
30 |
9 |
6066 |
164.7 |
2.6 |
0.179 |
1 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[EPE]A:202 |
13 |
1 |
401 |
◊ |
C |
x,y,z |
1_555 |
29 |
8 |
6121 |
158.8 |
2.7 |
0.085 |
1 |
0 |
0 |
0.000 |
| 12 |
21 |
|
B |
18 |
4 |
5914 |
◊ |
D |
x-1,y,z-1 |
1_454 |
19 |
6 |
6066 |
156.2 |
-0.7 |
0.701 |
0 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[EPE]A:202 |
13 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
6159 |
119.8 |
1.9 |
0.021 |
1 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[EPE]E:202 |
13 |
1 |
397 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
6007 |
119.0 |
1.8 |
0.028 |
1 |
0 |
0 |
0.000 |
| 15 |
24 |
|
C |
13 |
5 |
6121 |
◊ |
E |
x,y-1,z |
1_545 |
18 |
4 |
6007 |
117.9 |
1.4 |
0.873 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[EPE]E:201 |
12 |
1 |
410 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
5966 |
111.8 |
1.6 |
0.020 |
1 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[EPE]A:203 |
13 |
1 |
405 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
5914 |
109.4 |
1.7 |
0.015 |
1 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[PEG]D:201 |
7 |
1 |
260 |
◊ |
D |
x,y,z |
1_555 |
16 |
3 |
6066 |
93.6 |
0.9 |
0.216 |
1 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[PEG]D:201 |
7 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
6121 |
88.6 |
1.0 |
0.208 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[EPE]E:202 |
7 |
1 |
397 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
5966 |
84.5 |
1.4 |
0.091 |
1 |
0 |
0 |
0.000 |
| 21 |
30 |
|
F |
8 |
3 |
5966 |
◊ |
E |
x-1,y,z |
1_455 |
9 |
2 |
6007 |
82.0 |
0.8 |
0.834 |
1 |
4 |
0 |
0.000 |
31 |
|
A |
5 |
3 |
6159 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
5914 |
73.9 |
0.9 |
0.677 |
1 |
1 |
0 |
0.000 |
32 |
|
C |
4 |
3 |
6121 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
6066 |
26.4 |
-0.3 |
0.575 |
0 |
0 |
0 |
0.000 |
| Average: |
60.8 |
0.5 |
0.695 |
1 |
2 |
0 |
0.000 |
| 22 |
33 |
|
[EPE]A:202 |
9 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
5914 |
80.2 |
1.3 |
0.019 |
2 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[EPE]C:201 |
8 |
1 |
381 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
6121 |
79.7 |
1.9 |
0.077 |
1 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[EPE]A:203 |
9 |
1 |
405 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6159 |
79.6 |
1.7 |
0.018 |
2 |
0 |
0 |
0.000 |
| 25 |
36 |
|
C |
5 |
3 |
6121 |
◊ |
E |
x-1,y-1,z-1 |
1_444 |
10 |
4 |
6007 |
77.2 |
-0.3 |
0.449 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
2 |
1 |
5914 |
◊ |
F |
x,y,z-1 |
1_554 |
4 |
1 |
5966 |
28.7 |
0.7 |
0.844 |
1 |
1 |
0 |
0.000 |
| Average: |
53.0 |
0.2 |
0.646 |
1 |
1 |
0 |
0.000 |
| 26 |
38 |
|
[EPE]C:201 |
8 |
1 |
381 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
6159 |
70.9 |
1.7 |
0.087 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[EPE]E:201 |
5 |
1 |
410 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
6007 |
66.9 |
1.2 |
0.131 |
1 |
0 |
0 |
0.000 |
| 28 |
40 |
|
C |
7 |
2 |
6121 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
5914 |
66.9 |
0.2 |
0.747 |
0 |
1 |
0 |
0.000 |
41 |
|
A |
4 |
2 |
6159 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
2 |
6007 |
46.4 |
-0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
42 |
|
F |
6 |
2 |
5966 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
2 |
6066 |
40.6 |
1.3 |
0.879 |
1 |
1 |
0 |
0.000 |
| Average: |
51.3 |
0.5 |
0.771 |
0 |
1 |
0 |
0.000 |
| 29 |
43 |
|
A |
6 |
4 |
6159 |
◊ |
D |
x-1,y,z-1 |
1_454 |
9 |
3 |
6066 |
64.5 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
| 30 |
44 |
|
[EPE]C:201 |
6 |
1 |
381 |
f |
F |
x,y,z |
1_555 |
4 |
3 |
5966 |
63.0 |
0.0 |
0.029 |
0 |
0 |
0 |
0.000 |
| 31 |
45 |
|
[SO4]B:201 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
5914 |
61.8 |
-8.7 |
0.744 |
0 |
0 |
0 |
0.174 |
| 32 |
46 |
|
B |
4 |
2 |
5914 |
◊ |
F |
x,y-1,z-1 |
1_544 |
9 |
4 |
5966 |
54.0 |
0.9 |
0.843 |
0 |
0 |
0 |
0.000 |
| 33 |
47 |
|
B |
5 |
1 |
5914 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
1 |
6159 |
50.7 |
1.3 |
0.890 |
0 |
0 |
0 |
0.000 |
48 |
|
D |
5 |
1 |
6066 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
6121 |
50.1 |
1.0 |
0.879 |
0 |
0 |
0 |
0.000 |
49 |
|
E |
5 |
1 |
6007 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
1 |
5966 |
41.9 |
2.2 |
0.959 |
0 |
0 |
0 |
0.000 |
| Average: |
47.6 |
1.5 |
0.909 |
0 |
0 |
0 |
0.000 |
| 34 |
50 |
|
[SO4]B:201 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
6159 |
48.6 |
-6.7 |
0.559 |
0 |
0 |
0 |
0.134 |
| 35 |
51 |
|
D |
6 |
2 |
6066 |
f |
[SO4]A:201 |
x,y-1,z |
1_545 |
5 |
1 |
184 |
44.9 |
-4.6 |
0.933 |
2 |
0 |
0 |
0.130 |
| 36 |
52 |
|
D |
6 |
2 |
6066 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
6159 |
43.7 |
0.4 |
0.717 |
0 |
0 |
0 |
0.000 |
| 37 |
53 |
|
A |
7 |
2 |
6159 |
x |
A |
x-1,y,z |
1_455 |
5 |
3 |
6159 |
42.7 |
-0.5 |
0.550 |
0 |
0 |
0 |
0.000 |
54 |
|
E |
5 |
2 |
6007 |
x |
E |
x-1,y,z |
1_455 |
6 |
2 |
6007 |
37.3 |
-0.4 |
0.573 |
0 |
0 |
0 |
0.000 |
55 |
|
C |
1 |
1 |
6121 |
x |
C |
x-1,y,z |
1_455 |
3 |
2 |
6121 |
11.2 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
56 |
|
B |
2 |
1 |
5914 |
x |
B |
x-1,y,z |
1_455 |
3 |
2 |
5914 |
10.2 |
-0.3 |
0.493 |
0 |
0 |
0 |
0.000 |
| Average: |
25.4 |
-0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
| 38 |
57 |
|
[PEG]F:201 |
2 |
1 |
258 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
5966 |
32.2 |
0.9 |
0.466 |
1 |
0 |
0 |
0.000 |
| 39 |
58 |
|
B |
5 |
3 |
5914 |
◊ |
[PEG]F:201 |
x,y,z-1 |
1_554 |
6 |
1 |
258 |
31.2 |
1.0 |
0.211 |
0 |
0 |
0 |
0.000 |
| 40 |
59 |
|
A |
2 |
1 |
6159 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
6066 |
30.9 |
1.2 |
0.941 |
0 |
0 |
0 |
0.000 |
| 41 |
60 |
|
[SO4]A:201 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6159 |
27.4 |
-3.4 |
0.839 |
0 |
0 |
0 |
0.000 |
| 42 |
61 |
|
[PEG]D:201 |
2 |
1 |
260 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
5966 |
19.0 |
-0.4 |
0.188 |
0 |
0 |
0 |
0.014 |
| 43 |
62 |
|
[PEG]F:201 |
2 |
1 |
258 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
6066 |
17.8 |
0.8 |
0.438 |
0 |
0 |
0 |
0.000 |
| 44 |
63 |
|
C |
3 |
1 |
6121 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
6159 |
16.9 |
-0.2 |
0.446 |
0 |
0 |
0 |
0.000 |
64 |
|
A |
2 |
1 |
6159 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
5966 |
2.1 |
-0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
65 |
|
E |
1 |
1 |
6007 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
6066 |
0.5 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
| Average: |
6.5 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
| 45 |
66 |
|
B |
1 |
1 |
5914 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
6066 |
15.7 |
0.7 |
0.918 |
0 |
0 |
0 |
0.000 |
| 46 |
67 |
|
D |
3 |
2 |
6066 |
◊ |
E |
x,y-1,z |
1_545 |
2 |
1 |
6007 |
13.1 |
0.6 |
0.830 |
0 |
0 |
0 |
0.000 |
| 47 |
68 |
|
[PEG]F:201 |
3 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
6121 |
11.9 |
0.6 |
0.361 |
0 |
0 |
0 |
0.000 |
| 48 |
69 |
|
A |
3 |
3 |
6159 |
f |
[PEG]F:201 |
x,y,z-1 |
1_554 |
3 |
1 |
258 |
9.6 |
0.1 |
0.283 |
0 |
0 |
0 |
0.000 |
| 49 |
70 |
|
F |
1 |
1 |
5966 |
x |
F |
x-1,y,z |
1_455 |
1 |
1 |
5966 |
1.2 |
-0.0 |
0.676 |
0 |
0 |
0 |
0.000 |
| 50 |
71 |
|
C |
1 |
1 |
6121 |
◊ |
E |
x,y-1,z-1 |
1_544 |
1 |
1 |
6007 |
1.1 |
0.0 |
0.765 |
0 |
0 |
0 |
0.000 |
| 51 |
72 |
|
D |
1 |
1 |
6066 |
◊ |
E |
x-1,y-1,z |
1_445 |
1 |
1 |
6007 |
0.5 |
0.0 |
0.748 |
0 |
0 |
0 |
0.000 |
|