## |
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 |
89 |
29 |
21600 |
◊ |
A |
x,y,z |
1_555 |
91 |
29 |
21757 |
830.1 |
-4.0 |
0.569 |
14 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
66 |
22 |
21600 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
60 |
21 |
21757 |
567.0 |
-3.7 |
0.474 |
7 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
25 |
10 |
21757 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
27 |
8 |
21600 |
253.0 |
-2.6 |
0.265 |
3 |
1 |
0 |
0.000 |
4 |
4 |
|
A |
30 |
10 |
21757 |
x |
A |
x-1/2,-y+3/2,-z |
4_465 |
27 |
9 |
21757 |
250.7 |
-0.4 |
0.625 |
5 |
0 |
0 |
0.000 |
5 |
5 |
|
[EPE]B:951 |
14 |
1 |
407 |
f |
B |
x,y,z |
1_555 |
31 |
11 |
21600 |
212.4 |
6.3 |
0.242 |
3 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
22 |
8 |
21600 |
x |
B |
x-1,y,z |
1_455 |
23 |
8 |
21600 |
192.8 |
-1.6 |
0.429 |
4 |
0 |
0 |
0.000 |
7 |
|
A |
18 |
6 |
21757 |
x |
A |
x-1,y,z |
1_455 |
21 |
9 |
21757 |
183.8 |
-3.0 |
0.196 |
3 |
0 |
0 |
0.000 |
Average: |
188.3 |
-2.3 |
0.312 |
4 |
0 |
0 |
0.000 |
7 |
8 |
|
[1PG]B:965 |
16 |
1 |
481 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
21600 |
177.5 |
5.1 |
0.106 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
25 |
11 |
21600 |
◊ |
[1PG]B:963 |
x-1,y,z |
1_455 |
12 |
1 |
475 |
174.4 |
3.1 |
0.139 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[1PG]A:964 |
13 |
1 |
482 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
21757 |
165.0 |
3.7 |
0.142 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
[1PG]A:962 |
14 |
1 |
459 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
21757 |
164.9 |
4.1 |
0.143 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[GOL]A:914 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
21757 |
152.6 |
-0.3 |
0.588 |
5 |
0 |
0 |
0.003 |
12 |
13 |
|
B |
17 |
9 |
21600 |
◊ |
A |
-x-1/2,-y+1,z-1/2 |
2_464 |
19 |
9 |
21757 |
150.2 |
-1.5 |
0.428 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[GOL]B:904 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
21600 |
140.4 |
0.5 |
0.694 |
8 |
0 |
0 |
0.004 |
15 |
|
[GOL]A:901 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
21757 |
140.3 |
0.5 |
0.677 |
9 |
0 |
0 |
0.004 |
Average: |
140.4 |
0.5 |
0.686 |
9 |
0 |
0 |
0.004 |
14 |
16 |
|
[GOL]A:921 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
21757 |
139.1 |
0.2 |
0.659 |
3 |
0 |
0 |
0.002 |
17 |
|
[GOL]B:924 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
21600 |
137.5 |
0.2 |
0.665 |
3 |
0 |
0 |
0.002 |
Average: |
138.3 |
0.2 |
0.662 |
3 |
0 |
0 |
0.002 |
15 |
18 |
|
[GOL]A:915 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
21757 |
135.9 |
-0.4 |
0.599 |
7 |
0 |
0 |
0.005 |
19 |
|
[GOL]B:913 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
21600 |
135.5 |
-0.2 |
0.632 |
7 |
0 |
0 |
0.005 |
Average: |
135.7 |
-0.3 |
0.615 |
7 |
0 |
0 |
0.005 |
16 |
20 |
|
[GOL]B:918 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
21600 |
134.0 |
-0.4 |
0.547 |
6 |
0 |
0 |
0.004 |
17 |
21 |
|
[GOL]A:911 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
21757 |
132.4 |
-0.5 |
0.549 |
7 |
0 |
0 |
0.004 |
18 |
22 |
|
[GOL]A:902 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
21757 |
127.2 |
-0.4 |
0.563 |
8 |
0 |
0 |
0.006 |
23 |
|
[GOL]B:905 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
21600 |
126.5 |
-0.4 |
0.565 |
8 |
0 |
0 |
0.006 |
Average: |
126.8 |
-0.4 |
0.564 |
8 |
0 |
0 |
0.006 |
19 |
24 |
|
[GOL]B:928 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
21600 |
126.8 |
-1.1 |
0.470 |
5 |
0 |
0 |
0.005 |
20 |
25 |
|
[GOL]A:919 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
21757 |
126.6 |
-1.2 |
0.461 |
4 |
0 |
0 |
0.003 |
21 |
26 |
|
[GOL]B:906 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
21600 |
123.0 |
-0.4 |
0.590 |
6 |
0 |
0 |
0.004 |
27 |
|
[GOL]A:903 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
21757 |
121.8 |
-0.3 |
0.598 |
6 |
0 |
0 |
0.004 |
Average: |
122.4 |
-0.3 |
0.594 |
6 |
0 |
0 |
0.004 |
22 |
28 |
|
[1PG]A:964 |
8 |
1 |
482 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
21600 |
105.3 |
3.6 |
0.371 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[GOL]B:920 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
21600 |
103.5 |
-0.5 |
0.554 |
4 |
0 |
0 |
0.003 |
24 |
30 |
|
[1PG]B:963 |
9 |
1 |
475 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
21600 |
102.2 |
2.6 |
0.155 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
A |
12 |
4 |
21757 |
f |
[1PG]A:962 |
x-1,y,z |
1_455 |
8 |
1 |
459 |
102.2 |
1.4 |
0.126 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[1PG]B:965 |
8 |
1 |
481 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
21757 |
102.0 |
3.6 |
0.329 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
A |
11 |
2 |
21757 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
16 |
6 |
21600 |
101.2 |
-0.7 |
0.536 |
1 |
0 |
0 |
0.000 |
28 |
34 |
|
[GOL]A:926 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
21757 |
95.8 |
-0.3 |
0.505 |
1 |
0 |
0 |
0.000 |
29 |
35 |
|
[GOL]A:917 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
21757 |
95.0 |
0.0 |
0.629 |
4 |
0 |
0 |
0.002 |
30 |
36 |
|
B |
15 |
6 |
21600 |
◊ |
[GOL]A:912 |
-x+1/2,-y+1,z-1/2 |
2_564 |
5 |
1 |
220 |
91.2 |
-1.0 |
0.393 |
1 |
0 |
0 |
0.000 |
31 |
37 |
|
[GOL]A:912 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21757 |
90.9 |
0.1 |
0.589 |
6 |
0 |
0 |
0.003 |
32 |
38 |
|
[GOL]B:933 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
21600 |
89.3 |
0.7 |
0.748 |
6 |
0 |
0 |
0.003 |
33 |
39 |
|
[GOL]B:929 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
21600 |
88.4 |
-0.4 |
0.456 |
1 |
0 |
0 |
0.000 |
34 |
40 |
|
[SO4]A:978 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
21757 |
87.7 |
-12.7 |
0.791 |
3 |
0 |
0 |
0.015 |
35 |
41 |
|
[SO4]B:974 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
21600 |
86.9 |
-13.2 |
0.730 |
4 |
0 |
0 |
0.022 |
36 |
42 |
|
[SO4]A:977 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
21757 |
86.6 |
-12.7 |
0.745 |
4 |
0 |
0 |
0.016 |
37 |
43 |
|
[GOL]B:932 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
21600 |
82.6 |
-0.3 |
0.551 |
1 |
0 |
0 |
0.001 |
38 |
44 |
|
[SO4]B:973 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
21600 |
81.6 |
-11.7 |
0.766 |
3 |
0 |
0 |
0.019 |
39 |
45 |
|
[GOL]A:925 |
4 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
21757 |
80.9 |
-0.7 |
0.440 |
1 |
0 |
0 |
0.001 |
40 |
46 |
|
[GOL]B:916 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
21600 |
78.1 |
-0.8 |
0.322 |
1 |
0 |
0 |
0.002 |
41 |
47 |
|
B |
9 |
3 |
21600 |
◊ |
[1PG]A:962 |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
1 |
459 |
75.6 |
2.7 |
0.294 |
1 |
0 |
0 |
0.000 |
42 |
48 |
|
A |
9 |
5 |
21757 |
◊ |
[GOL]B:916 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
219 |
75.3 |
-0.7 |
0.383 |
1 |
0 |
0 |
0.000 |
43 |
49 |
|
[SO4]A:976 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21757 |
74.2 |
-9.6 |
0.902 |
4 |
0 |
0 |
0.013 |
44 |
50 |
|
A |
11 |
5 |
21757 |
◊ |
[EPE]B:951 |
x-1/2,-y+1/2,-z |
4_455 |
9 |
1 |
407 |
74.1 |
1.1 |
0.013 |
4 |
0 |
0 |
0.000 |
45 |
51 |
|
[SO4]B:972 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
21600 |
73.8 |
-10.5 |
0.894 |
3 |
0 |
0 |
0.017 |
46 |
52 |
|
[GOL]B:931 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
21600 |
73.5 |
0.6 |
0.733 |
3 |
0 |
0 |
0.001 |
47 |
53 |
|
[SO4]A:975 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
21757 |
72.6 |
-10.4 |
0.867 |
3 |
0 |
0 |
0.013 |
48 |
54 |
|
[SO4]A:971 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
21757 |
69.0 |
-10.0 |
0.762 |
4 |
0 |
0 |
0.013 |
49 |
55 |
|
B |
6 |
4 |
21600 |
◊ |
[GOL]A:917 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
219 |
63.7 |
-0.7 |
0.351 |
1 |
0 |
0 |
0.000 |
50 |
56 |
|
[GOL]B:929 |
6 |
1 |
219 |
f |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
3 |
21757 |
61.0 |
-0.0 |
0.532 |
2 |
0 |
0 |
0.001 |
51 |
57 |
|
[GOL]B:931 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
21757 |
58.4 |
-0.7 |
0.465 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[GOL]A:926 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
21600 |
55.7 |
-1.2 |
0.320 |
0 |
0 |
0 |
0.002 |
53 |
59 |
|
B |
7 |
3 |
21600 |
◊ |
[GOL]B:920 |
x-1,y,z |
1_455 |
4 |
1 |
218 |
54.3 |
0.2 |
0.636 |
1 |
0 |
0 |
0.000 |
54 |
60 |
|
B |
6 |
3 |
21600 |
◊ |
[SO4]A:971 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
53.5 |
-7.1 |
0.600 |
1 |
0 |
0 |
0.000 |
55 |
61 |
|
[GOL]B:928 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21757 |
50.2 |
-0.5 |
0.401 |
2 |
0 |
0 |
0.000 |
56 |
62 |
|
[GOL]A:919 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
21600 |
46.4 |
-0.2 |
0.496 |
2 |
0 |
0 |
0.000 |
57 |
63 |
|
[SO4]B:974 |
4 |
1 |
185 |
f |
[SO4]B:973 |
x,y,z |
1_555 |
4 |
1 |
185 |
38.6 |
-8.6 |
0.998 |
0 |
0 |
0 |
0.012 |
58 |
64 |
|
[GOL]B:924 |
4 |
1 |
220 |
f |
[GOL]B:918 |
x,y,z |
1_555 |
3 |
1 |
219 |
36.3 |
0.4 |
0.568 |
2 |
0 |
0 |
0.000 |
59 |
65 |
|
B |
5 |
3 |
21600 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
21757 |
36.1 |
-0.6 |
0.367 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
B |
3 |
1 |
21600 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
21757 |
36.1 |
-1.0 |
0.145 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[GOL]A:921 |
4 |
1 |
219 |
f |
[GOL]A:911 |
x,y,z |
1_555 |
3 |
1 |
218 |
35.8 |
0.3 |
0.568 |
2 |
0 |
0 |
0.000 |
62 |
68 |
|
[GOL]B:932 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
21757 |
33.6 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
[GOL]B:905 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21757 |
31.8 |
-0.5 |
0.445 |
0 |
0 |
0 |
0.000 |
70 |
|
[GOL]A:902 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
21600 |
31.1 |
-0.5 |
0.428 |
0 |
0 |
0 |
0.000 |
Average: |
31.5 |
-0.5 |
0.436 |
0 |
0 |
0 |
0.000 |
64 |
71 |
|
[SO4]A:971 |
4 |
1 |
185 |
f |
[GOL]A:917 |
x,y,z |
1_555 |
4 |
1 |
219 |
30.5 |
-3.0 |
0.803 |
1 |
0 |
0 |
0.004 |
65 |
72 |
|
[SO4]A:977 |
4 |
1 |
185 |
◊ |
[GOL]B:931 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
218 |
28.0 |
-3.6 |
0.676 |
0 |
0 |
0 |
0.000 |
66 |
73 |
|
[1PG]B:963 |
3 |
1 |
475 |
f |
[GOL]B:920 |
x,y,z |
1_555 |
2 |
1 |
218 |
26.4 |
0.9 |
0.303 |
0 |
0 |
0 |
0.000 |
67 |
74 |
|
B |
2 |
2 |
21600 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
4 |
2 |
21757 |
15.6 |
0.3 |
0.784 |
0 |
0 |
0 |
0.000 |
68 |
75 |
|
[SO4]A:977 |
3 |
1 |
185 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
21757 |
14.8 |
-1.4 |
0.939 |
0 |
0 |
0 |
0.000 |
69 |
76 |
|
[EPE]B:951 |
2 |
1 |
407 |
f |
[GOL]B:916 |
x,y,z |
1_555 |
1 |
1 |
219 |
7.1 |
0.3 |
0.194 |
0 |
0 |
0 |
0.000 |
70 |
77 |
|
[SO4]A:977 |
3 |
1 |
185 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
21600 |
7.1 |
-0.5 |
0.904 |
0 |
0 |
0 |
0.000 |
71 |
78 |
|
[SO4]A:976 |
1 |
1 |
184 |
f |
[SO4]A:975 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.5 |
-1.1 |
0.800 |
0 |
0 |
0 |
0.001 |
72 |
79 |
|
[SO4]A:978 |
1 |
1 |
185 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
21600 |
2.4 |
-0.2 |
0.910 |
0 |
0 |
0 |
0.000 |
73 |
80 |
|
A |
1 |
1 |
21757 |
◊ |
[GOL]B:931 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
218 |
2.0 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
74 |
81 |
|
[SO4]A:976 |
1 |
1 |
184 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
21600 |
1.6 |
-0.2 |
0.654 |
0 |
0 |
0 |
0.000 |
75 |
82 |
|
[SO4]A:978 |
1 |
1 |
185 |
◊ |
[EPE]B:951 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
407 |
0.7 |
-0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
|