| ## |
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 |
|
E |
228 |
62 |
23998 |
◊ |
D |
x,y,z |
1_555 |
195 |
53 |
23820 |
1956.8 |
-16.2 |
0.142 |
28 |
8 |
0 |
0.642 |
2 |
|
F |
226 |
61 |
23905 |
◊ |
E |
x,y,z |
1_555 |
197 |
53 |
23998 |
1948.6 |
-15.6 |
0.162 |
27 |
9 |
0 |
0.642 |
3 |
|
C |
226 |
62 |
23818 |
◊ |
B |
x,y,z |
1_555 |
193 |
52 |
23833 |
1933.9 |
-15.4 |
0.167 |
28 |
8 |
0 |
0.642 |
4 |
|
B |
220 |
60 |
23833 |
◊ |
A |
x,y,z |
1_555 |
189 |
51 |
23777 |
1915.5 |
-16.1 |
0.139 |
28 |
7 |
0 |
0.642 |
5 |
|
C |
190 |
49 |
23818 |
◊ |
A |
x,y,z |
1_555 |
225 |
62 |
23777 |
1915.3 |
-16.0 |
0.141 |
28 |
8 |
0 |
0.642 |
6 |
|
F |
193 |
50 |
23905 |
◊ |
D |
x,y,z |
1_555 |
221 |
59 |
23820 |
1906.0 |
-14.4 |
0.201 |
27 |
7 |
0 |
0.642 |
| Average: |
1929.4 |
-15.6 |
0.159 |
28 |
8 |
0 |
0.642 |
| 2 |
7 |
|
D |
161 |
45 |
23820 |
◊ |
A |
x,y,z |
1_555 |
164 |
47 |
23777 |
1535.5 |
-6.3 |
0.498 |
15 |
2 |
0 |
0.121 |
8 |
|
E |
165 |
46 |
23998 |
◊ |
C |
x,y,z |
1_555 |
168 |
49 |
23818 |
1533.3 |
-6.5 |
0.484 |
16 |
3 |
0 |
0.121 |
9 |
|
F |
164 |
48 |
23905 |
◊ |
B |
x,y,z |
1_555 |
162 |
47 |
23833 |
1519.8 |
-5.9 |
0.515 |
16 |
2 |
0 |
0.121 |
| Average: |
1529.5 |
-6.2 |
0.499 |
16 |
2 |
0 |
0.121 |
| 3 |
10 |
|
F |
119 |
33 |
23905 |
◊ |
C |
x,y,z |
1_555 |
120 |
33 |
23818 |
1195.3 |
-0.7 |
0.714 |
11 |
8 |
0 |
0.060 |
11 |
|
E |
118 |
34 |
23998 |
◊ |
A |
x,y,z |
1_555 |
120 |
34 |
23777 |
1190.8 |
-0.5 |
0.724 |
10 |
8 |
0 |
0.060 |
12 |
|
D |
116 |
34 |
23820 |
◊ |
B |
x,y,z |
1_555 |
118 |
34 |
23833 |
1172.8 |
-0.4 |
0.739 |
13 |
7 |
0 |
0.060 |
| Average: |
1186.3 |
-0.6 |
0.726 |
11 |
8 |
0 |
0.060 |
| 4 |
13 |
|
C |
41 |
11 |
23818 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
43 |
10 |
23777 |
362.1 |
-1.7 |
0.456 |
3 |
0 |
0 |
0.000 |
14 |
|
A |
36 |
10 |
23777 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
39 |
10 |
23833 |
361.2 |
-5.0 |
0.113 |
1 |
0 |
0 |
0.000 |
| Average: |
361.6 |
-3.3 |
0.285 |
2 |
0 |
0 |
0.000 |
| 5 |
15 |
|
A |
37 |
10 |
23777 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
38 |
10 |
23820 |
340.3 |
1.4 |
0.741 |
1 |
4 |
0 |
0.000 |
16 |
|
C |
34 |
10 |
23818 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
38 |
10 |
23998 |
321.9 |
1.1 |
0.751 |
2 |
3 |
0 |
0.000 |
| Average: |
331.1 |
1.3 |
0.746 |
2 |
4 |
0 |
0.000 |
| 6 |
17 |
|
F |
35 |
9 |
23905 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
10 |
23820 |
311.2 |
-0.1 |
0.625 |
4 |
0 |
0 |
0.000 |
| 7 |
18 |
|
D |
29 |
12 |
23820 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
28 |
10 |
23818 |
202.5 |
1.7 |
0.813 |
2 |
0 |
0 |
0.000 |
| 8 |
19 |
|
E |
18 |
6 |
23998 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
26 |
8 |
23818 |
183.9 |
-0.5 |
0.551 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
17 |
6 |
23820 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
24 |
8 |
23777 |
182.3 |
-0.6 |
0.546 |
0 |
0 |
0 |
0.000 |
| Average: |
183.1 |
-0.6 |
0.549 |
0 |
0 |
0 |
0.000 |
| 9 |
21 |
|
[FOC]F:592 |
11 |
1 |
313 |
f |
F |
x,y,z |
1_555 |
28 |
12 |
23905 |
174.7 |
0.2 |
0.242 |
9 |
0 |
0 |
0.100 |
22 |
|
[FOC]A:594 |
11 |
1 |
313 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
23777 |
166.5 |
0.5 |
0.230 |
8 |
0 |
0 |
0.100 |
23 |
|
[FOC]B:593 |
11 |
1 |
312 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
23833 |
165.4 |
1.1 |
0.365 |
8 |
0 |
0 |
0.100 |
24 |
|
[FOC]C:593 |
11 |
1 |
313 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
23818 |
163.6 |
1.0 |
0.360 |
8 |
0 |
0 |
0.100 |
25 |
|
[FOC]D:594 |
11 |
1 |
310 |
f |
D |
x,y,z |
1_555 |
29 |
12 |
23820 |
162.8 |
1.0 |
0.371 |
9 |
0 |
0 |
0.100 |
26 |
|
[FOC]E:593 |
11 |
1 |
312 |
f |
E |
x,y,z |
1_555 |
30 |
12 |
23998 |
162.6 |
0.2 |
0.231 |
9 |
0 |
0 |
0.100 |
| Average: |
165.9 |
0.7 |
0.300 |
9 |
0 |
0 |
0.100 |
| 10 |
27 |
|
F |
13 |
5 |
23905 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
6 |
23833 |
110.8 |
0.7 |
0.738 |
1 |
1 |
0 |
0.000 |
| 11 |
28 |
|
C |
11 |
4 |
23818 |
x |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
4 |
23818 |
93.6 |
-2.2 |
0.153 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
11 |
4 |
23777 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
10 |
3 |
23777 |
85.1 |
-2.1 |
0.138 |
0 |
0 |
0 |
0.000 |
| Average: |
89.3 |
-2.1 |
0.145 |
0 |
0 |
0 |
0.000 |
| 12 |
30 |
|
F |
13 |
5 |
23905 |
x |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
23905 |
91.9 |
-2.4 |
0.063 |
0 |
0 |
0 |
0.000 |
| 13 |
31 |
|
[FOC]F:592 |
8 |
1 |
313 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
23998 |
89.1 |
-0.3 |
0.287 |
1 |
0 |
0 |
0.018 |
32 |
|
[FOC]E:593 |
9 |
1 |
312 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
23820 |
85.6 |
-0.3 |
0.278 |
1 |
0 |
0 |
0.018 |
33 |
|
[FOC]C:593 |
9 |
1 |
313 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
23833 |
84.4 |
-0.4 |
0.268 |
1 |
0 |
0 |
0.018 |
34 |
|
[FOC]A:594 |
9 |
1 |
313 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
23818 |
83.8 |
-0.4 |
0.258 |
1 |
0 |
0 |
0.018 |
35 |
|
[FOC]D:594 |
8 |
1 |
310 |
◊ |
F |
x,y,z |
1_555 |
19 |
5 |
23905 |
83.7 |
-0.3 |
0.290 |
1 |
0 |
0 |
0.018 |
36 |
|
[FOC]B:593 |
8 |
1 |
312 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
23777 |
82.3 |
-0.4 |
0.277 |
1 |
0 |
0 |
0.018 |
| Average: |
84.8 |
-0.3 |
0.276 |
1 |
0 |
0 |
0.018 |
| 14 |
37 |
|
D |
5 |
4 |
23820 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
7 |
3 |
23833 |
67.2 |
-0.8 |
0.316 |
0 |
0 |
0 |
0.000 |
38 |
|
E |
4 |
3 |
23998 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
2 |
23777 |
66.1 |
-0.5 |
0.335 |
0 |
0 |
0 |
0.000 |
| Average: |
66.7 |
-0.6 |
0.326 |
0 |
0 |
0 |
0.000 |
| 15 |
39 |
|
[SO4]D:593 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
23820 |
58.6 |
-7.0 |
0.841 |
2 |
0 |
0 |
0.059 |
| 16 |
40 |
|
[SO4]A:593 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
23818 |
57.7 |
-6.7 |
0.851 |
2 |
0 |
0 |
0.054 |
| 17 |
41 |
|
[SO4]A:593 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
23833 |
57.3 |
-6.8 |
0.851 |
2 |
0 |
0 |
0.054 |
| 18 |
42 |
|
[SO4]D:593 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
23998 |
56.6 |
-6.7 |
0.836 |
2 |
0 |
0 |
0.056 |
| 19 |
43 |
|
[SO4]A:593 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
23777 |
56.3 |
-6.7 |
0.852 |
2 |
0 |
0 |
0.054 |
| 20 |
44 |
|
[SO4]D:593 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
23905 |
56.1 |
-6.5 |
0.850 |
2 |
0 |
0 |
0.055 |
| 21 |
45 |
|
[MN]C:592 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
23818 |
49.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.104 |
46 |
|
[MN]D:592 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
23820 |
49.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.104 |
47 |
|
[MN]B:592 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
23833 |
48.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.104 |
48 |
|
[MN]A:592 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
23777 |
48.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.104 |
49 |
|
[MN]E:592 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
23998 |
48.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
48.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.104 |
| 22 |
50 |
|
[FOC]B:593 |
4 |
1 |
312 |
f |
[MN]B:592 |
x,y,z |
1_555 |
1 |
1 |
123 |
33.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.031 |
51 |
|
[FOC]A:594 |
4 |
1 |
313 |
f |
[MN]A:592 |
x,y,z |
1_555 |
1 |
1 |
123 |
33.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.031 |
52 |
|
[FOC]D:594 |
4 |
1 |
310 |
f |
[MN]D:592 |
x,y,z |
1_555 |
1 |
1 |
123 |
32.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.031 |
53 |
|
[FOC]C:593 |
4 |
1 |
313 |
f |
[MN]C:592 |
x,y,z |
1_555 |
1 |
1 |
123 |
32.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.031 |
54 |
|
[FOC]E:593 |
4 |
1 |
312 |
f |
[MN]E:592 |
x,y,z |
1_555 |
1 |
1 |
123 |
32.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
32.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.031 |
| 23 |
55 |
|
E |
3 |
1 |
23998 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
23777 |
17.3 |
-0.1 |
0.291 |
0 |
0 |
0 |
0.000 |
| 24 |
56 |
|
F |
2 |
2 |
23905 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
23777 |
14.7 |
0.5 |
0.847 |
0 |
0 |
0 |
0.000 |
57 |
|
E |
4 |
2 |
23998 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
2 |
23833 |
11.4 |
0.5 |
0.806 |
0 |
0 |
0 |
0.000 |
| Average: |
13.0 |
0.5 |
0.826 |
0 |
0 |
0 |
0.000 |
| 25 |
58 |
|
E |
4 |
2 |
23998 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
2 |
23820 |
12.5 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
| 26 |
59 |
|
[MN]E:592 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
23820 |
4.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
60 |
|
[MN]C:592 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
23833 |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
61 |
|
[MN]B:592 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
23777 |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
62 |
|
[MN]D:592 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
23905 |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
63 |
|
[MN]A:592 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
23818 |
1.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| 27 |
64 |
|
E |
1 |
1 |
23998 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
23905 |
3.1 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
|