## |
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 |
534 |
125 |
18923 |
◊ |
A |
x,y,z |
1_555 |
557 |
141 |
22017 |
5184.1 |
-52.2 |
0.046 |
75 |
12 |
0 |
0.868 |
2 |
|
F |
535 |
124 |
18821 |
◊ |
E |
x,y,z |
1_555 |
566 |
141 |
21980 |
5159.1 |
-51.2 |
0.056 |
72 |
12 |
0 |
0.868 |
Average: |
5171.6 |
-51.7 |
0.051 |
74 |
12 |
0 |
0.868 |
2 |
3 |
|
H |
241 |
62 |
7978 |
◊ |
E |
x,y,z |
1_555 |
281 |
71 |
21980 |
2595.7 |
-25.0 |
0.337 |
37 |
13 |
0 |
0.756 |
4 |
|
D |
244 |
65 |
8179 |
◊ |
A |
x,y,z |
1_555 |
280 |
70 |
22017 |
2554.5 |
-23.1 |
0.383 |
35 |
16 |
0 |
0.756 |
Average: |
2575.1 |
-24.1 |
0.360 |
36 |
15 |
0 |
0.756 |
3 |
5 |
|
C |
212 |
49 |
10596 |
◊ |
A |
x,y,z |
1_555 |
229 |
56 |
22017 |
2103.1 |
-17.6 |
0.369 |
33 |
15 |
0 |
0.731 |
6 |
|
G |
207 |
49 |
10503 |
◊ |
E |
x,y,z |
1_555 |
218 |
55 |
21980 |
2100.8 |
-18.7 |
0.328 |
32 |
15 |
0 |
0.731 |
Average: |
2101.9 |
-18.2 |
0.349 |
33 |
15 |
0 |
0.731 |
4 |
7 |
|
F |
186 |
44 |
18821 |
◊ |
B |
x,y,z |
1_555 |
187 |
47 |
18923 |
1756.7 |
-14.0 |
0.317 |
31 |
31 |
0 |
1.000 |
5 |
8 |
|
C |
132 |
38 |
10596 |
◊ |
B |
x,y,z |
1_555 |
161 |
38 |
18923 |
1315.1 |
-7.7 |
0.585 |
17 |
11 |
0 |
1.000 |
9 |
|
G |
130 |
38 |
10503 |
◊ |
F |
x,y,z |
1_555 |
157 |
38 |
18821 |
1310.4 |
-8.1 |
0.573 |
19 |
11 |
0 |
1.000 |
Average: |
1312.8 |
-7.9 |
0.579 |
18 |
11 |
0 |
1.000 |
6 |
10 |
|
F |
74 |
21 |
18821 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
70 |
19 |
21980 |
622.3 |
1.2 |
0.775 |
7 |
2 |
0 |
0.000 |
11 |
|
B |
71 |
19 |
18923 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
66 |
19 |
22017 |
590.0 |
-1.5 |
0.642 |
6 |
0 |
0 |
0.000 |
Average: |
606.1 |
-0.2 |
0.709 |
7 |
1 |
0 |
0.000 |
7 |
12 |
|
E |
65 |
16 |
21980 |
◊ |
A |
x,y,z |
1_555 |
64 |
16 |
22017 |
524.8 |
-4.5 |
0.384 |
8 |
0 |
0 |
0.033 |
8 |
13 |
|
F |
42 |
13 |
18821 |
◊ |
A |
x,y,z |
1_555 |
30 |
7 |
22017 |
344.6 |
1.4 |
0.795 |
6 |
5 |
0 |
0.034 |
14 |
|
B |
42 |
12 |
18923 |
◊ |
E |
x,y,z |
1_555 |
27 |
6 |
21980 |
338.2 |
-0.1 |
0.585 |
5 |
7 |
0 |
0.034 |
Average: |
341.4 |
0.7 |
0.690 |
6 |
6 |
0 |
0.034 |
9 |
15 |
|
D |
37 |
12 |
8179 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
18923 |
300.5 |
1.2 |
0.846 |
11 |
0 |
0 |
0.028 |
16 |
|
H |
37 |
12 |
7978 |
◊ |
F |
x,y,z |
1_555 |
30 |
7 |
18821 |
300.4 |
0.7 |
0.808 |
11 |
0 |
0 |
0.028 |
Average: |
300.5 |
0.9 |
0.827 |
11 |
0 |
0 |
0.028 |
10 |
17 |
|
H |
30 |
12 |
7978 |
◊ |
A |
x,y,z |
1_555 |
32 |
7 |
22017 |
285.8 |
-0.9 |
0.631 |
4 |
3 |
0 |
0.018 |
18 |
|
D |
29 |
12 |
8179 |
◊ |
E |
x,y,z |
1_555 |
35 |
8 |
21980 |
267.3 |
-0.8 |
0.657 |
4 |
3 |
0 |
0.018 |
Average: |
276.5 |
-0.9 |
0.644 |
4 |
3 |
0 |
0.018 |
11 |
19 |
|
D |
22 |
7 |
8179 |
◊ |
F |
x,y,z |
1_555 |
23 |
9 |
18821 |
195.6 |
0.4 |
0.783 |
2 |
1 |
0 |
0.007 |
20 |
|
H |
20 |
5 |
7978 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
18923 |
184.5 |
0.4 |
0.780 |
2 |
1 |
0 |
0.007 |
Average: |
190.0 |
0.4 |
0.782 |
2 |
1 |
0 |
0.007 |
12 |
21 |
|
[BEZ]A:606 |
9 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
32 |
15 |
22017 |
135.8 |
3.6 |
0.397 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[BEZ]E:606 |
9 |
1 |
265 |
f |
E |
x,y,z |
1_555 |
32 |
15 |
21980 |
135.2 |
3.4 |
0.378 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
[EDO]A:604 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
22017 |
120.4 |
3.4 |
0.582 |
2 |
0 |
0 |
0.000 |
15 |
24 |
|
[EDO]G:201 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
15 |
8 |
10503 |
114.3 |
4.1 |
0.525 |
3 |
0 |
0 |
0.000 |
16 |
25 |
|
[EDO]C:201 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
10596 |
108.3 |
4.3 |
0.754 |
5 |
0 |
0 |
0.000 |
17 |
26 |
|
[EDO]D:201 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
8179 |
102.4 |
3.1 |
0.520 |
2 |
0 |
0 |
0.000 |
18 |
27 |
|
[EDO]E:605 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
21980 |
88.0 |
1.8 |
0.222 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[EDO]E:604 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
16 |
4 |
21980 |
86.3 |
2.2 |
0.298 |
3 |
0 |
0 |
0.000 |
20 |
29 |
|
[EDO]E:603 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
11 |
6 |
21980 |
86.1 |
2.1 |
0.258 |
1 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]B:402 |
4 |
1 |
185 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
4 |
22017 |
77.4 |
1.6 |
0.223 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[EDO]A:605 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
22017 |
75.5 |
0.9 |
0.566 |
1 |
0 |
0 |
0.000 |
23 |
32 |
|
[EDO]C:202 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
22017 |
73.6 |
1.3 |
0.213 |
1 |
0 |
0 |
0.000 |
24 |
33 |
|
[EDO]B:401 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
18923 |
72.5 |
1.7 |
0.253 |
1 |
0 |
0 |
0.000 |
25 |
34 |
|
[EDO]B:401 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
18821 |
70.5 |
1.9 |
0.249 |
1 |
0 |
0 |
0.000 |
26 |
35 |
|
[EDO]B:404 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
18923 |
67.9 |
1.9 |
0.445 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[EDO]B:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
22017 |
66.2 |
1.2 |
0.207 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[EDO]C:202 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
10596 |
64.7 |
1.9 |
0.269 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[EDO]B:404 |
4 |
1 |
184 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
4 |
22017 |
64.6 |
0.8 |
0.650 |
1 |
0 |
0 |
0.000 |
30 |
39 |
|
[EDO]F:401 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
18821 |
64.6 |
1.1 |
0.192 |
1 |
0 |
0 |
0.000 |
31 |
40 |
|
[EDO]F:401 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
21980 |
64.3 |
1.7 |
0.361 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
[EDO]B:403 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
18923 |
62.9 |
1.7 |
0.876 |
1 |
0 |
0 |
0.000 |
33 |
42 |
|
[EDO]B:402 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
18923 |
57.8 |
1.3 |
0.727 |
1 |
0 |
0 |
0.000 |
34 |
43 |
|
[EDO]A:603 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22017 |
53.0 |
0.8 |
0.799 |
1 |
0 |
0 |
0.000 |
35 |
44 |
|
G |
5 |
4 |
10503 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
21980 |
52.9 |
1.3 |
0.850 |
1 |
1 |
0 |
0.000 |
45 |
|
C |
5 |
3 |
10596 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
22017 |
50.7 |
1.0 |
0.834 |
1 |
1 |
0 |
0.000 |
Average: |
51.8 |
1.1 |
0.842 |
1 |
1 |
0 |
0.000 |
36 |
46 |
|
[FE]A:601 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
22017 |
46.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.372 |
47 |
|
[FE]A:602 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
22017 |
46.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.372 |
Average: |
46.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.372 |
37 |
48 |
|
[EDO]A:603 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
8179 |
46.4 |
0.8 |
0.557 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[FE2]E:601 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
21980 |
45.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.325 |
50 |
|
[FE2]E:602 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
21980 |
45.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.325 |
Average: |
45.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.325 |
39 |
51 |
|
[EDO]D:201 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
22017 |
41.3 |
1.4 |
0.899 |
1 |
0 |
0 |
0.000 |
40 |
52 |
|
[EDO]E:604 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
18923 |
41.2 |
1.2 |
0.725 |
0 |
0 |
0 |
0.000 |
41 |
53 |
|
[EDO]B:403 |
2 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
7978 |
38.3 |
1.3 |
0.652 |
0 |
0 |
0 |
0.000 |
42 |
54 |
|
[EDO]F:401 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8179 |
31.8 |
0.8 |
0.934 |
1 |
0 |
0 |
0.000 |
43 |
55 |
|
[BEZ]A:606 |
4 |
1 |
265 |
f |
[FE]A:601 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.055 |
44 |
56 |
|
[FE2]E:601 |
1 |
1 |
137 |
f |
[BEZ]E:606 |
x,y,z |
1_555 |
4 |
1 |
265 |
30.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.047 |
45 |
57 |
|
[BEZ]A:606 |
3 |
1 |
265 |
f |
[FE]A:602 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.053 |
46 |
58 |
|
[FE2]E:602 |
1 |
1 |
137 |
f |
[BEZ]E:606 |
x,y,z |
1_555 |
3 |
1 |
265 |
29.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.046 |
47 |
59 |
|
B |
7 |
3 |
18923 |
◊ |
[EDO]A:605 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
185 |
28.6 |
0.8 |
0.751 |
0 |
0 |
0 |
0.000 |
48 |
60 |
|
[FE2]E:602 |
1 |
1 |
137 |
f |
[FE2]E:601 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.085 |
49 |
61 |
|
[FE]A:602 |
1 |
1 |
137 |
f |
[FE]A:601 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.091 |
50 |
62 |
|
[EDO]E:604 |
2 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
18821 |
20.3 |
1.4 |
0.981 |
0 |
0 |
0 |
0.000 |
51 |
63 |
|
[EDO]E:603 |
1 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
18821 |
12.1 |
0.1 |
0.761 |
0 |
0 |
0 |
0.000 |
52 |
64 |
|
[EDO]C:201 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
22017 |
3.0 |
0.1 |
0.887 |
0 |
0 |
0 |
0.000 |
53 |
65 |
|
[EDO]G:201 |
1 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
21980 |
0.9 |
0.0 |
0.852 |
0 |
0 |
0 |
0.000 |
54 |
66 |
|
[EDO]F:401 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
22017 |
0.7 |
0.0 |
0.847 |
0 |
0 |
0 |
0.000 |
55 |
67 |
|
B |
1 |
1 |
18923 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
10596 |
0.4 |
0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
|