## |
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 |
655 |
152 |
22046 |
◊ |
D |
x,y,z |
1_555 |
621 |
151 |
23845 |
5974.2 |
-62.5 |
0.134 |
78 |
22 |
0 |
0.397 |
2 |
|
B |
653 |
151 |
21955 |
◊ |
A |
x,y,z |
1_555 |
632 |
150 |
23861 |
5942.9 |
-63.5 |
0.116 |
82 |
21 |
0 |
0.397 |
Average: |
5958.6 |
-63.0 |
0.125 |
80 |
22 |
0 |
0.397 |
2 |
3 |
|
E |
336 |
79 |
22046 |
◊ |
A |
x,y,z |
1_555 |
302 |
65 |
23861 |
2975.4 |
-36.4 |
0.097 |
37 |
6 |
0 |
0.309 |
4 |
|
B |
332 |
74 |
21955 |
◊ |
D |
x,y,z |
1_555 |
298 |
66 |
23845 |
2971.5 |
-37.4 |
0.079 |
37 |
6 |
0 |
0.309 |
Average: |
2973.5 |
-36.9 |
0.088 |
37 |
6 |
0 |
0.309 |
3 |
5 |
|
F |
102 |
27 |
6007 |
◊ |
D |
x,y,z |
1_555 |
112 |
38 |
23845 |
948.5 |
-9.2 |
0.426 |
8 |
1 |
0 |
0.162 |
6 |
|
C |
98 |
27 |
5930 |
◊ |
A |
x,y,z |
1_555 |
118 |
36 |
23861 |
934.8 |
-9.4 |
0.430 |
7 |
1 |
0 |
0.162 |
Average: |
941.6 |
-9.3 |
0.428 |
8 |
1 |
0 |
0.162 |
4 |
7 |
|
D |
83 |
25 |
23845 |
◊ |
A |
x,y,z |
1_555 |
81 |
25 |
23861 |
779.9 |
-5.0 |
0.506 |
12 |
11 |
0 |
0.019 |
5 |
8 |
|
[SRM]E:583 |
50 |
1 |
1054 |
f |
E |
x,y,z |
1_555 |
75 |
27 |
22046 |
562.3 |
-10.9 |
0.730 |
21 |
0 |
0 |
0.115 |
9 |
|
[SRM]B:581 |
50 |
1 |
1060 |
f |
B |
x,y,z |
1_555 |
77 |
27 |
21955 |
561.8 |
-11.3 |
0.719 |
20 |
0 |
0 |
0.115 |
Average: |
562.1 |
-11.1 |
0.725 |
21 |
0 |
0 |
0.115 |
6 |
10 |
|
E |
53 |
15 |
22046 |
◊ |
B |
x,y,z |
1_555 |
54 |
15 |
21955 |
531.4 |
-2.9 |
0.608 |
8 |
2 |
0 |
0.011 |
7 |
11 |
|
[SRM]A:580 |
52 |
1 |
1065 |
f |
A |
x,y,z |
1_555 |
70 |
26 |
23861 |
498.6 |
-9.4 |
0.896 |
21 |
0 |
0 |
0.238 |
12 |
|
[SRM]D:582 |
52 |
1 |
1058 |
f |
D |
x,y,z |
1_555 |
67 |
24 |
23845 |
492.9 |
-7.9 |
0.893 |
22 |
0 |
0 |
0.238 |
Average: |
495.7 |
-8.6 |
0.895 |
22 |
0 |
0 |
0.238 |
8 |
13 |
|
F |
52 |
19 |
6007 |
◊ |
E |
x,y,z |
1_555 |
56 |
18 |
22046 |
469.0 |
-6.6 |
0.292 |
3 |
0 |
0 |
0.029 |
14 |
|
C |
47 |
19 |
5930 |
◊ |
B |
x,y,z |
1_555 |
50 |
16 |
21955 |
449.8 |
-6.8 |
0.242 |
3 |
0 |
0 |
0.029 |
Average: |
459.4 |
-6.7 |
0.267 |
3 |
0 |
0 |
0.029 |
9 |
15 |
|
[SRM]B:581 |
46 |
1 |
1060 |
◊ |
A |
x,y,z |
1_555 |
50 |
18 |
23861 |
322.5 |
-6.9 |
0.629 |
4 |
0 |
0 |
0.035 |
16 |
|
[SRM]E:583 |
45 |
1 |
1054 |
◊ |
D |
x,y,z |
1_555 |
52 |
18 |
23845 |
322.1 |
-7.3 |
0.585 |
4 |
0 |
0 |
0.035 |
Average: |
322.3 |
-7.1 |
0.607 |
4 |
0 |
0 |
0.035 |
10 |
17 |
|
D |
41 |
12 |
23845 |
x |
D |
-x,y-1/2,-z |
2_545 |
41 |
9 |
23845 |
317.2 |
1.1 |
0.805 |
4 |
3 |
0 |
0.000 |
11 |
18 |
|
[SRM]A:580 |
42 |
1 |
1065 |
◊ |
B |
x,y,z |
1_555 |
42 |
16 |
21955 |
312.9 |
-10.7 |
0.324 |
4 |
0 |
0 |
0.048 |
19 |
|
[SRM]D:582 |
43 |
1 |
1058 |
◊ |
E |
x,y,z |
1_555 |
42 |
16 |
22046 |
307.4 |
-10.5 |
0.348 |
3 |
0 |
0 |
0.048 |
Average: |
310.2 |
-10.6 |
0.336 |
4 |
0 |
0 |
0.048 |
12 |
20 |
|
F |
33 |
10 |
6007 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
33 |
10 |
21955 |
288.2 |
-2.0 |
0.538 |
5 |
3 |
0 |
0.000 |
13 |
21 |
|
E |
29 |
8 |
22046 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
29 |
10 |
6007 |
259.3 |
-1.8 |
0.562 |
3 |
0 |
0 |
0.000 |
14 |
22 |
|
E |
29 |
10 |
22046 |
◊ |
B |
x-1,y,z |
1_455 |
28 |
7 |
21955 |
253.5 |
-1.1 |
0.638 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
E |
26 |
10 |
22046 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
23 |
8 |
23845 |
244.7 |
0.8 |
0.796 |
3 |
7 |
0 |
0.000 |
16 |
24 |
|
[SF4]A:803 |
8 |
1 |
321 |
f |
A |
x,y,z |
1_555 |
31 |
17 |
23861 |
189.7 |
-22.3 |
0.379 |
1 |
0 |
0 |
0.289 |
17 |
25 |
|
[SF4]D:807 |
8 |
1 |
319 |
f |
D |
x,y,z |
1_555 |
31 |
16 |
23845 |
188.0 |
-22.0 |
0.344 |
1 |
0 |
0 |
0.284 |
18 |
26 |
|
[SF4]E:806 |
8 |
1 |
316 |
f |
E |
x,y,z |
1_555 |
23 |
12 |
22046 |
187.3 |
-22.7 |
0.422 |
0 |
0 |
0 |
0.129 |
19 |
27 |
|
[SF4]B:802 |
8 |
1 |
317 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
21955 |
187.0 |
-22.2 |
0.465 |
0 |
0 |
0 |
0.126 |
20 |
28 |
|
[SF4]D:808 |
8 |
1 |
326 |
f |
D |
x,y,z |
1_555 |
28 |
12 |
23845 |
165.8 |
-18.5 |
0.284 |
2 |
0 |
0 |
0.245 |
21 |
29 |
|
[SF4]A:804 |
8 |
1 |
321 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
23861 |
164.7 |
-18.7 |
0.272 |
0 |
0 |
0 |
0.238 |
22 |
30 |
|
[SF4]B:801 |
8 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
21955 |
150.6 |
-16.9 |
0.273 |
1 |
0 |
0 |
0.098 |
23 |
31 |
|
[SF4]E:805 |
8 |
1 |
318 |
f |
E |
x,y,z |
1_555 |
22 |
11 |
22046 |
150.2 |
-17.2 |
0.245 |
1 |
0 |
0 |
0.100 |
24 |
32 |
|
A |
18 |
6 |
23861 |
x |
A |
x,y-1,z |
1_545 |
15 |
4 |
23861 |
150.2 |
-2.3 |
0.312 |
0 |
1 |
0 |
0.000 |
25 |
33 |
|
E |
11 |
5 |
22046 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
4 |
23861 |
127.1 |
-0.4 |
0.551 |
1 |
0 |
0 |
0.000 |
34 |
|
D |
2 |
1 |
23845 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
21955 |
22.4 |
-0.7 |
0.247 |
0 |
0 |
0 |
0.000 |
Average: |
74.8 |
-0.5 |
0.399 |
1 |
0 |
0 |
0.000 |
26 |
35 |
|
A |
11 |
3 |
23861 |
◊ |
D |
x,y-1,z |
1_545 |
12 |
6 |
23845 |
100.2 |
-0.3 |
0.608 |
2 |
0 |
0 |
0.000 |
27 |
36 |
|
C |
11 |
3 |
5930 |
x |
C |
-x+1,y-1/2,-z-1 |
2_644 |
15 |
6 |
5930 |
89.8 |
-0.4 |
0.653 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[SRM]A:580 |
12 |
1 |
1065 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
5930 |
81.2 |
-3.6 |
0.098 |
0 |
0 |
0 |
0.046 |
38 |
|
[SRM]D:582 |
12 |
1 |
1058 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
6007 |
79.2 |
-3.4 |
0.091 |
0 |
0 |
0 |
0.046 |
Average: |
80.2 |
-3.5 |
0.095 |
0 |
0 |
0 |
0.046 |
29 |
39 |
|
A |
10 |
3 |
23861 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
21955 |
80.8 |
0.3 |
0.723 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[SF4]D:808 |
4 |
1 |
326 |
◊ |
[SRM]E:583 |
x,y,z |
1_555 |
25 |
1 |
1054 |
73.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.023 |
31 |
41 |
|
[SF4]E:805 |
4 |
1 |
318 |
◊ |
[SRM]D:582 |
x,y,z |
1_555 |
23 |
1 |
1058 |
72.8 |
-6.5 |
0.996 |
0 |
0 |
0 |
0.025 |
32 |
42 |
|
[SF4]A:804 |
4 |
1 |
321 |
◊ |
[SRM]B:581 |
x,y,z |
1_555 |
25 |
1 |
1060 |
70.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.021 |
33 |
43 |
|
[SF4]B:801 |
4 |
1 |
310 |
◊ |
[SRM]A:580 |
x,y,z |
1_555 |
20 |
1 |
1065 |
69.7 |
-6.4 |
0.994 |
0 |
0 |
0 |
0.025 |
34 |
44 |
|
[SO3]A:6575 |
4 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
23861 |
59.4 |
1.8 |
0.816 |
4 |
0 |
0 |
0.000 |
35 |
45 |
|
[SO3]D:6576 |
4 |
1 |
173 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
23845 |
59.2 |
2.0 |
0.816 |
7 |
0 |
0 |
0.014 |
36 |
46 |
|
[SRM]D:582 |
19 |
1 |
1058 |
f |
[SO3]D:6576 |
x,y,z |
1_555 |
4 |
1 |
173 |
54.6 |
-1.9 |
0.506 |
0 |
0 |
0 |
0.024 |
37 |
47 |
|
[SRM]A:580 |
19 |
1 |
1065 |
f |
[SO3]A:6575 |
x,y,z |
1_555 |
4 |
1 |
172 |
53.6 |
-1.7 |
0.507 |
0 |
0 |
0 |
0.021 |
38 |
48 |
|
D |
8 |
3 |
23845 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
6 |
2 |
22046 |
52.8 |
1.0 |
0.790 |
1 |
2 |
0 |
0.000 |
39 |
49 |
|
E |
4 |
2 |
22046 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
1 |
23845 |
45.3 |
1.0 |
0.885 |
1 |
2 |
0 |
0.000 |
40 |
50 |
|
A |
6 |
2 |
23861 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
9 |
3 |
6007 |
44.5 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
41 |
51 |
|
A |
7 |
3 |
23861 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
5 |
21955 |
34.3 |
0.7 |
0.735 |
0 |
0 |
0 |
0.000 |
42 |
52 |
|
F |
4 |
2 |
6007 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
23861 |
33.7 |
1.0 |
0.884 |
0 |
0 |
0 |
0.000 |
53 |
|
C |
6 |
2 |
5930 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
23845 |
20.1 |
0.3 |
0.782 |
0 |
0 |
0 |
0.000 |
Average: |
26.9 |
0.7 |
0.833 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
A |
3 |
1 |
23861 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
3 |
1 |
22046 |
31.5 |
0.7 |
0.868 |
1 |
1 |
0 |
0.000 |
44 |
55 |
|
[SO3]D:6576 |
3 |
1 |
173 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
6007 |
24.4 |
-0.4 |
0.341 |
0 |
0 |
0 |
0.005 |
45 |
56 |
|
[SO3]A:6575 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5930 |
24.3 |
-0.5 |
0.349 |
0 |
0 |
0 |
0.006 |
46 |
57 |
|
D |
5 |
2 |
23845 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
3 |
23861 |
23.1 |
1.5 |
0.895 |
0 |
0 |
0 |
0.000 |
47 |
58 |
|
[SF4]D:807 |
2 |
1 |
319 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
22046 |
11.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
48 |
59 |
|
[SF4]E:805 |
1 |
1 |
318 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6007 |
10.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
49 |
60 |
|
[SF4]A:803 |
2 |
1 |
321 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
21955 |
10.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
50 |
61 |
|
[SO3]D:6576 |
1 |
1 |
173 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
22046 |
10.1 |
-0.8 |
0.075 |
0 |
0 |
0 |
0.003 |
51 |
62 |
|
[SF4]B:801 |
1 |
1 |
310 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5930 |
9.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
52 |
63 |
|
[SO3]A:6575 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21955 |
8.6 |
-0.7 |
0.131 |
0 |
0 |
0 |
0.003 |
53 |
64 |
|
D |
1 |
1 |
23845 |
x |
D |
x,y-1,z |
1_545 |
2 |
2 |
23845 |
4.4 |
0.3 |
0.818 |
0 |
0 |
0 |
0.000 |
54 |
65 |
|
F |
1 |
1 |
6007 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
23845 |
3.8 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
55 |
66 |
|
[SF4]B:801 |
1 |
1 |
310 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23861 |
2.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
67 |
|
[SF4]E:805 |
1 |
1 |
318 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
23845 |
1.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
68 |
|
E |
1 |
1 |
22046 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
23845 |
1.5 |
0.1 |
0.761 |
0 |
0 |
0 |
0.000 |
58 |
69 |
|
[SF4]B:802 |
1 |
1 |
317 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
23845 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
70 |
|
[SF4]A:803 |
1 |
1 |
321 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
22046 |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
71 |
|
E |
1 |
1 |
22046 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
21955 |
0.4 |
-0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
61 |
72 |
|
D |
1 |
1 |
23845 |
◊ |
F |
x,y-1,z |
1_545 |
1 |
1 |
6007 |
0.3 |
0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
[SF4]D:807 |
1 |
1 |
319 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21955 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|