## |
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 |
|
D |
550 |
129 |
17446 |
◊ |
C |
x,y,z |
1_555 |
548 |
131 |
17149 |
5362.3 |
-106.4 |
0.557 |
43 |
9 |
0 |
0.774 |
2 |
|
B |
551 |
130 |
17540 |
◊ |
A |
x,y,z |
1_555 |
541 |
130 |
17126 |
5290.3 |
-106.4 |
0.534 |
46 |
8 |
0 |
0.774 |
Average: |
5326.3 |
-106.4 |
0.546 |
45 |
9 |
0 |
0.774 |
2 |
3 |
|
[Y01]D:303 |
26 |
1 |
777 |
f |
D |
x,y,z |
1_555 |
46 |
13 |
17446 |
368.9 |
-8.8 |
0.684 |
1 |
0 |
0 |
0.465 |
4 |
|
[Y01]A:301 |
25 |
1 |
775 |
f |
B |
x,y,z |
1_555 |
46 |
13 |
17540 |
359.8 |
-7.1 |
0.790 |
2 |
0 |
0 |
0.465 |
5 |
|
[Y01]C:308 |
27 |
1 |
774 |
f |
C |
x,y,z |
1_555 |
45 |
13 |
17149 |
352.7 |
-10.7 |
0.567 |
0 |
0 |
0 |
0.465 |
6 |
|
[Y01]A:305 |
26 |
1 |
774 |
f |
A |
x,y,z |
1_555 |
47 |
13 |
17126 |
352.6 |
-7.8 |
0.800 |
2 |
0 |
0 |
0.465 |
Average: |
358.5 |
-8.6 |
0.710 |
1 |
0 |
0 |
0.465 |
3 |
7 |
|
C |
38 |
11 |
17149 |
◊ |
D |
x-1,y,z |
1_455 |
41 |
12 |
17446 |
353.9 |
-9.8 |
0.345 |
0 |
0 |
0 |
0.228 |
8 |
|
B |
42 |
11 |
17540 |
◊ |
A |
x-1,y,z |
1_455 |
35 |
10 |
17126 |
353.5 |
-9.9 |
0.291 |
0 |
0 |
0 |
0.228 |
Average: |
353.7 |
-9.9 |
0.318 |
0 |
0 |
0 |
0.228 |
4 |
9 |
|
[Y01]B:302 |
28 |
1 |
777 |
f |
B |
x,y,z |
1_555 |
39 |
13 |
17540 |
324.0 |
-7.1 |
0.741 |
2 |
0 |
0 |
0.293 |
10 |
|
[Y01]A:306 |
28 |
1 |
777 |
f |
A |
x,y,z |
1_555 |
37 |
13 |
17126 |
324.0 |
-7.0 |
0.750 |
2 |
0 |
0 |
0.293 |
Average: |
324.0 |
-7.1 |
0.745 |
2 |
0 |
0 |
0.293 |
5 |
11 |
|
D |
37 |
9 |
17446 |
◊ |
B |
x,-y,-z |
2_555 |
36 |
8 |
17540 |
315.5 |
-1.3 |
0.867 |
4 |
1 |
0 |
0.000 |
6 |
12 |
|
[KKZ]D:302 |
25 |
1 |
717 |
◊ |
C |
x,y,z |
1_555 |
43 |
15 |
17149 |
292.4 |
-2.5 |
0.577 |
0 |
0 |
0 |
0.004 |
13 |
|
[KKZ]A:307 |
25 |
1 |
715 |
◊ |
A |
x,y,z |
1_555 |
42 |
15 |
17126 |
291.5 |
-2.5 |
0.556 |
0 |
0 |
0 |
0.004 |
Average: |
292.0 |
-2.5 |
0.567 |
0 |
0 |
0 |
0.004 |
7 |
14 |
|
[KKZ]D:302 |
25 |
1 |
717 |
◊ |
D |
x,y,z |
1_555 |
39 |
16 |
17446 |
281.9 |
-1.6 |
0.539 |
2 |
0 |
0 |
0.004 |
15 |
|
[KKZ]A:307 |
25 |
1 |
715 |
◊ |
B |
x,y,z |
1_555 |
37 |
16 |
17540 |
281.5 |
-1.5 |
0.542 |
2 |
0 |
0 |
0.004 |
Average: |
281.7 |
-1.6 |
0.541 |
2 |
0 |
0 |
0.004 |
8 |
16 |
|
D |
33 |
9 |
17446 |
◊ |
D |
x,-y,-z |
2_555 |
33 |
9 |
17446 |
279.5 |
0.2 |
0.955 |
6 |
0 |
0 |
0.000 |
9 |
17 |
|
C |
31 |
8 |
17149 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
8 |
17126 |
261.2 |
-4.2 |
0.641 |
1 |
0 |
0 |
0.000 |
10 |
18 |
|
[PC1]A:308 |
24 |
1 |
947 |
f |
A |
x-1,y,z |
1_455 |
31 |
9 |
17126 |
234.2 |
-4.6 |
0.800 |
0 |
0 |
0 |
0.084 |
11 |
19 |
|
C |
32 |
10 |
17149 |
f |
[PC1]C:305 |
x-1,y,z |
1_455 |
18 |
1 |
657 |
220.9 |
-2.6 |
0.723 |
0 |
0 |
0 |
0.061 |
12 |
20 |
|
[PC1]C:306 |
19 |
1 |
945 |
f |
D |
x-1,y,z |
1_455 |
29 |
8 |
17446 |
213.8 |
-5.2 |
0.664 |
0 |
0 |
0 |
0.122 |
13 |
21 |
|
[Y01]D:303 |
16 |
1 |
777 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
17149 |
192.5 |
-4.6 |
0.543 |
0 |
0 |
0 |
0.056 |
22 |
|
[Y01]A:301 |
16 |
1 |
775 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
17126 |
190.7 |
-4.6 |
0.521 |
0 |
0 |
0 |
0.056 |
23 |
|
[Y01]C:308 |
15 |
1 |
774 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
17446 |
190.2 |
-4.6 |
0.504 |
0 |
0 |
0 |
0.056 |
24 |
|
[Y01]A:305 |
16 |
1 |
774 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
17540 |
187.9 |
-4.5 |
0.534 |
0 |
0 |
0 |
0.056 |
Average: |
190.3 |
-4.6 |
0.526 |
0 |
0 |
0 |
0.056 |
14 |
25 |
|
B |
21 |
7 |
17540 |
x |
B |
x-1,y,z |
1_455 |
14 |
5 |
17540 |
185.0 |
-5.2 |
0.217 |
1 |
0 |
0 |
0.000 |
15 |
26 |
|
B |
26 |
8 |
17540 |
f |
[PC1]B:303 |
x-1,y,z |
1_455 |
17 |
1 |
573 |
179.8 |
-2.4 |
0.626 |
0 |
0 |
0 |
0.044 |
16 |
27 |
|
D |
14 |
5 |
17446 |
x |
D |
x-1,y,z |
1_455 |
22 |
7 |
17446 |
174.8 |
-4.9 |
0.262 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
16 |
5 |
17149 |
x |
C |
x-1,y,z |
1_455 |
11 |
4 |
17149 |
125.1 |
-3.2 |
0.424 |
1 |
0 |
0 |
0.000 |
29 |
|
A |
11 |
4 |
17126 |
x |
A |
x-1,y,z |
1_455 |
14 |
4 |
17126 |
124.9 |
-3.3 |
0.344 |
1 |
0 |
0 |
0.000 |
Average: |
141.6 |
-3.8 |
0.343 |
1 |
0 |
0 |
0.000 |
17 |
30 |
|
[PC1]C:306 |
18 |
1 |
945 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
17149 |
162.2 |
-3.8 |
0.520 |
0 |
0 |
0 |
0.089 |
31 |
|
[PC1]A:308 |
16 |
1 |
947 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
17540 |
148.1 |
-3.5 |
0.560 |
0 |
0 |
0 |
0.089 |
Average: |
155.1 |
-3.7 |
0.540 |
0 |
0 |
0 |
0.089 |
18 |
32 |
|
[PC1]C:306 |
19 |
1 |
945 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
17446 |
157.7 |
-4.8 |
0.508 |
0 |
0 |
0 |
0.000 |
33 |
|
[PC1]A:308 |
18 |
1 |
947 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
17126 |
157.1 |
-4.8 |
0.517 |
0 |
0 |
0 |
0.000 |
Average: |
157.4 |
-4.8 |
0.512 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
[PC1]C:305 |
14 |
1 |
657 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
17149 |
135.1 |
-2.3 |
0.585 |
0 |
0 |
0 |
0.000 |
35 |
|
[PC1]B:303 |
11 |
1 |
573 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
17540 |
122.7 |
-1.4 |
0.542 |
0 |
0 |
0 |
0.000 |
Average: |
128.9 |
-1.8 |
0.564 |
0 |
0 |
0 |
0.000 |
20 |
36 |
|
B |
10 |
4 |
17540 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
2 |
17446 |
96.0 |
1.0 |
0.910 |
2 |
0 |
0 |
0.000 |
37 |
|
B |
5 |
2 |
17540 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
17446 |
49.0 |
0.3 |
0.782 |
1 |
0 |
0 |
0.000 |
Average: |
72.5 |
0.6 |
0.846 |
2 |
0 |
0 |
0.000 |
21 |
38 |
|
[Y01]B:302 |
9 |
1 |
777 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
17126 |
81.1 |
-1.6 |
0.607 |
0 |
0 |
0 |
0.018 |
39 |
|
[Y01]A:306 |
8 |
1 |
777 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
17540 |
78.2 |
-1.6 |
0.579 |
0 |
0 |
0 |
0.018 |
Average: |
79.7 |
-1.6 |
0.593 |
0 |
0 |
0 |
0.018 |
22 |
40 |
|
[K]A:309 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
7 |
17540 |
60.8 |
-39.4 |
0.000 |
0 |
0 |
0 |
0.130 |
41 |
|
[K]C:307 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
9 |
7 |
17149 |
60.6 |
-39.4 |
0.000 |
0 |
0 |
0 |
0.130 |
42 |
|
[K]A:309 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
7 |
17126 |
60.4 |
-38.9 |
0.000 |
0 |
0 |
0 |
0.130 |
43 |
|
[K]C:307 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
10 |
7 |
17446 |
60.2 |
-38.9 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
60.5 |
-39.1 |
0.000 |
0 |
0 |
0 |
0.130 |
23 |
44 |
|
[PC1]B:303 |
10 |
1 |
573 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
17126 |
58.0 |
-0.9 |
0.517 |
0 |
0 |
0 |
0.022 |
45 |
|
[PC1]C:305 |
6 |
1 |
657 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17446 |
39.3 |
-0.9 |
0.274 |
0 |
0 |
0 |
0.022 |
Average: |
48.6 |
-0.9 |
0.396 |
0 |
0 |
0 |
0.022 |
24 |
46 |
|
[K]C:302 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
14 |
8 |
17149 |
51.4 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.224 |
47 |
|
[K]A:302 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
8 |
17126 |
51.4 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.224 |
48 |
|
[K]C:302 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
15 |
8 |
17446 |
50.8 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.224 |
49 |
|
[K]A:302 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
17540 |
50.6 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.224 |
50 |
|
[K]A:303 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
17126 |
49.6 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.224 |
51 |
|
[K]C:303 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
17149 |
49.5 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.224 |
52 |
|
[K]C:303 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
17446 |
49.4 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.224 |
53 |
|
[K]A:303 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
17540 |
49.3 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.224 |
Average: |
50.2 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.224 |
25 |
54 |
|
[K]A:304 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17126 |
51.3 |
-34.7 |
0.000 |
0 |
0 |
0 |
0.114 |
55 |
|
[K]C:304 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
17149 |
51.1 |
-34.6 |
0.000 |
0 |
0 |
0 |
0.114 |
56 |
|
[K]C:304 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
17446 |
50.9 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.114 |
57 |
|
[K]A:304 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
17540 |
50.6 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
50.9 |
-34.3 |
0.000 |
0 |
0 |
0 |
0.114 |
26 |
58 |
|
D |
3 |
2 |
17446 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
17126 |
47.9 |
1.3 |
0.875 |
0 |
1 |
0 |
0.000 |
27 |
59 |
|
[KKZ]A:307 |
14 |
1 |
715 |
f |
[K]A:304 |
x,y,z |
1_555 |
1 |
1 |
216 |
39.0 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.024 |
60 |
|
[KKZ]D:302 |
14 |
1 |
717 |
f |
[K]C:304 |
x,y,z |
1_555 |
1 |
1 |
216 |
38.3 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
38.7 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.024 |
28 |
61 |
|
[K]A:309 |
1 |
1 |
216 |
f |
[K]A:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
36.9 |
-36.9 |
0.000 |
0 |
0 |
0 |
0.060 |
29 |
62 |
|
[K]C:307 |
1 |
1 |
216 |
f |
[K]C:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
36.8 |
-36.8 |
0.000 |
0 |
0 |
0 |
0.061 |
30 |
63 |
|
[K]C:303 |
1 |
1 |
216 |
f |
[K]C:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
35.1 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.059 |
31 |
64 |
|
[K]A:303 |
1 |
1 |
216 |
f |
[K]A:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.9 |
-34.9 |
0.000 |
0 |
0 |
0 |
0.057 |
32 |
65 |
|
[K]C:304 |
1 |
1 |
216 |
f |
[K]C:303 |
x,y,z |
1_555 |
1 |
1 |
216 |
31.9 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.053 |
33 |
66 |
|
[K]A:304 |
1 |
1 |
216 |
f |
[K]A:303 |
x,y,z |
1_555 |
1 |
1 |
216 |
31.8 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.052 |
34 |
67 |
|
[K]C:307 |
1 |
1 |
216 |
f |
[K]C:303 |
x,y,z |
1_555 |
1 |
1 |
216 |
18.0 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.030 |
35 |
68 |
|
[K]A:309 |
1 |
1 |
216 |
f |
[K]A:303 |
x,y,z |
1_555 |
1 |
1 |
216 |
17.9 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.029 |
36 |
69 |
|
D |
2 |
1 |
17446 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17540 |
17.1 |
0.8 |
0.941 |
0 |
0 |
0 |
0.000 |
37 |
70 |
|
C |
3 |
2 |
17149 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
17126 |
16.4 |
-0.0 |
0.692 |
0 |
0 |
0 |
0.000 |
38 |
71 |
|
[K]C:304 |
1 |
1 |
216 |
f |
[K]C:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.0 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.022 |
39 |
72 |
|
A |
3 |
2 |
17126 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
17149 |
12.8 |
0.0 |
0.787 |
0 |
0 |
0 |
0.000 |
73 |
|
A |
1 |
1 |
17126 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
17149 |
2.7 |
0.0 |
0.805 |
0 |
0 |
0 |
0.000 |
Average: |
7.7 |
0.0 |
0.796 |
0 |
0 |
0 |
0.000 |
40 |
74 |
|
[K]A:304 |
1 |
1 |
216 |
f |
[K]A:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.021 |
41 |
75 |
|
[Y01]C:308 |
1 |
1 |
774 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
17446 |
10.5 |
-0.3 |
0.412 |
0 |
0 |
0 |
0.008 |
76 |
|
B |
2 |
1 |
17540 |
◊ |
[Y01]A:305 |
x-1,y,z |
1_455 |
1 |
1 |
774 |
6.7 |
-0.2 |
0.642 |
0 |
0 |
0 |
0.008 |
Average: |
8.6 |
-0.3 |
0.527 |
0 |
0 |
0 |
0.008 |
42 |
77 |
|
[KKZ]D:302 |
1 |
1 |
717 |
◊ |
[Y01]C:308 |
x,y,z |
1_555 |
1 |
1 |
774 |
6.5 |
-0.7 |
0.284 |
0 |
0 |
0 |
0.001 |
78 |
|
[KKZ]A:307 |
1 |
1 |
715 |
◊ |
[Y01]A:305 |
x,y,z |
1_555 |
1 |
1 |
774 |
6.5 |
-0.7 |
0.145 |
0 |
0 |
0 |
0.001 |
Average: |
6.5 |
-0.7 |
0.215 |
0 |
0 |
0 |
0.001 |
43 |
79 |
|
C |
1 |
1 |
17149 |
◊ |
B |
x,-y,-z |
2_555 |
1 |
1 |
17540 |
5.9 |
-0.2 |
0.381 |
0 |
0 |
0 |
0.000 |
44 |
80 |
|
C |
2 |
1 |
17149 |
◊ |
[Y01]D:303 |
x-1,y,z |
1_455 |
1 |
1 |
777 |
5.8 |
-0.2 |
0.652 |
0 |
0 |
0 |
0.004 |
81 |
|
[Y01]A:301 |
1 |
1 |
775 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
17126 |
3.8 |
-0.1 |
0.720 |
0 |
0 |
0 |
0.004 |
Average: |
4.8 |
-0.2 |
0.686 |
0 |
0 |
0 |
0.004 |
|