## |
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 |
455 |
114 |
24033 |
◊ |
C |
x,y,z |
1_555 |
464 |
123 |
19447 |
4376.1 |
-59.0 |
0.034 |
51 |
20 |
0 |
0.512 |
2 |
|
B |
455 |
111 |
24134 |
◊ |
A |
x,y,z |
1_555 |
458 |
123 |
19245 |
4330.4 |
-59.8 |
0.034 |
52 |
20 |
0 |
0.512 |
Average: |
4353.2 |
-59.4 |
0.034 |
52 |
20 |
0 |
0.512 |
2 |
3 |
|
D |
279 |
72 |
24033 |
◊ |
B |
x,y,z |
1_555 |
276 |
68 |
24134 |
2585.3 |
-26.4 |
0.373 |
38 |
22 |
0 |
0.534 |
3 |
4 |
|
B |
128 |
35 |
24134 |
◊ |
C |
x,y,z |
1_555 |
143 |
36 |
19447 |
1198.6 |
-16.7 |
0.236 |
8 |
5 |
0 |
0.269 |
5 |
|
D |
129 |
35 |
24033 |
◊ |
A |
x,y,z |
1_555 |
142 |
35 |
19245 |
1183.4 |
-17.0 |
0.189 |
8 |
5 |
0 |
0.269 |
Average: |
1191.0 |
-16.8 |
0.212 |
8 |
5 |
0 |
0.269 |
4 |
6 |
|
D |
47 |
17 |
24033 |
◊ |
D |
-x+1,y,-z |
2_655 |
47 |
17 |
24033 |
429.1 |
0.2 |
0.834 |
7 |
2 |
0 |
0.000 |
5 |
7 |
|
[CFM]C:503 |
17 |
1 |
486 |
f |
C |
x,y,z |
1_555 |
51 |
18 |
19447 |
315.4 |
-18.2 |
0.797 |
6 |
0 |
0 |
0.264 |
8 |
|
[CFM]A:503 |
17 |
1 |
486 |
f |
A |
x,y,z |
1_555 |
51 |
18 |
19245 |
314.6 |
-18.2 |
0.808 |
6 |
0 |
0 |
0.264 |
Average: |
315.0 |
-18.2 |
0.803 |
6 |
0 |
0 |
0.264 |
6 |
9 |
|
B |
29 |
8 |
24134 |
◊ |
A |
x,y-1,z |
1_545 |
42 |
17 |
19245 |
290.3 |
1.1 |
0.875 |
3 |
5 |
0 |
0.000 |
7 |
10 |
|
D |
19 |
8 |
24033 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
25 |
9 |
19245 |
217.2 |
1.8 |
0.901 |
5 |
1 |
0 |
0.000 |
8 |
11 |
|
[HCA]A:501 |
13 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
19245 |
202.6 |
1.8 |
0.508 |
4 |
0 |
0 |
0.000 |
12 |
|
[HCA]C:501 |
12 |
1 |
341 |
f |
C |
x,y,z |
1_555 |
36 |
17 |
19447 |
201.8 |
1.9 |
0.527 |
4 |
0 |
0 |
0.000 |
Average: |
202.2 |
1.8 |
0.517 |
4 |
0 |
0 |
0.000 |
9 |
13 |
|
[CLF]C:505 |
12 |
1 |
454 |
◊ |
D |
x,y,z |
1_555 |
26 |
12 |
24033 |
183.7 |
-17.5 |
0.139 |
1 |
0 |
0 |
0.106 |
14 |
|
[CLF]A:505 |
12 |
1 |
453 |
◊ |
B |
x,y,z |
1_555 |
27 |
12 |
24134 |
182.3 |
-17.4 |
0.173 |
0 |
0 |
0 |
0.106 |
Average: |
183.0 |
-17.5 |
0.156 |
1 |
0 |
0 |
0.106 |
10 |
15 |
|
[CLF]A:505 |
12 |
1 |
453 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19245 |
182.2 |
-18.1 |
0.116 |
0 |
0 |
0 |
0.229 |
16 |
|
[CLF]C:505 |
12 |
1 |
454 |
f |
C |
x,y,z |
1_555 |
28 |
10 |
19447 |
181.0 |
-18.0 |
0.130 |
0 |
0 |
0 |
0.229 |
Average: |
181.6 |
-18.0 |
0.123 |
0 |
0 |
0 |
0.229 |
11 |
17 |
|
B |
14 |
3 |
24134 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
17 |
8 |
19447 |
160.8 |
-4.3 |
0.095 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
15 |
7 |
19245 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
12 |
3 |
24033 |
140.0 |
-3.2 |
0.139 |
0 |
0 |
0 |
0.000 |
Average: |
150.4 |
-3.7 |
0.117 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
[EDO]A:2775 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
19245 |
115.4 |
3.3 |
0.474 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]B:2781 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
24134 |
108.0 |
3.7 |
0.541 |
3 |
0 |
0 |
0.000 |
14 |
21 |
|
[EDO]D:2785 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
24033 |
107.1 |
4.3 |
0.567 |
5 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]A:2777 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
19245 |
102.4 |
3.1 |
0.482 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]B:2783 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
24134 |
99.1 |
2.0 |
0.297 |
3 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]A:2780 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
19245 |
98.7 |
2.1 |
0.269 |
2 |
0 |
0 |
0.000 |
18 |
25 |
|
[EDO]D:2787 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24033 |
98.3 |
1.8 |
0.281 |
4 |
0 |
0 |
0.000 |
19 |
26 |
|
[EDO]D:2788 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
24033 |
93.4 |
3.6 |
0.530 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[EDO]B:2782 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
24134 |
89.5 |
3.5 |
0.546 |
2 |
0 |
0 |
0.000 |
21 |
28 |
|
[EDO]C:2779 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
19447 |
89.0 |
1.7 |
0.274 |
4 |
0 |
0 |
0.000 |
22 |
29 |
|
[EDO]A:2776 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
19245 |
84.5 |
1.5 |
0.279 |
4 |
0 |
0 |
0.003 |
23 |
30 |
|
C |
9 |
4 |
19447 |
◊ |
D |
x,y-1,z |
1_545 |
12 |
4 |
24033 |
84.2 |
1.0 |
0.799 |
1 |
1 |
0 |
0.000 |
24 |
31 |
|
[EDO]A:2774 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
21 |
4 |
24134 |
82.8 |
2.5 |
0.494 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[EDO]D:2784 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
24134 |
75.7 |
1.7 |
0.250 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[EDO]B:2778 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
19447 |
75.2 |
1.3 |
0.271 |
1 |
0 |
0 |
0.000 |
27 |
34 |
|
[EDO]D:2773 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
19245 |
73.7 |
1.2 |
0.269 |
1 |
0 |
0 |
0.000 |
28 |
35 |
|
[CL]B:2772 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
24134 |
73.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.263 |
36 |
|
[CL]D:2771 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
24033 |
72.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.263 |
Average: |
73.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.263 |
29 |
37 |
|
[EDO]B:2778 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
24134 |
70.6 |
1.7 |
0.277 |
2 |
0 |
0 |
0.000 |
30 |
38 |
|
[EDO]D:2786 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
24033 |
69.3 |
2.1 |
0.356 |
3 |
0 |
0 |
0.000 |
31 |
39 |
|
[EDO]D:2784 |
3 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
24033 |
67.7 |
1.5 |
0.421 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[CFM]A:503 |
7 |
1 |
486 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
7 |
1 |
342 |
66.7 |
-3.6 |
0.424 |
0 |
0 |
0 |
0.045 |
41 |
|
[CFM]C:503 |
7 |
1 |
486 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
341 |
66.4 |
-3.5 |
0.415 |
0 |
0 |
0 |
0.045 |
Average: |
66.6 |
-3.6 |
0.420 |
0 |
0 |
0 |
0.045 |
33 |
42 |
|
[EDO]D:2773 |
4 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
24033 |
66.5 |
1.6 |
0.268 |
2 |
0 |
0 |
0.000 |
34 |
43 |
|
B |
7 |
3 |
24134 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
7 |
2 |
19245 |
63.5 |
-0.2 |
0.616 |
1 |
0 |
0 |
0.000 |
35 |
44 |
|
[EDO]A:2774 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19245 |
56.8 |
2.0 |
0.952 |
4 |
0 |
0 |
0.000 |
36 |
45 |
|
B |
9 |
4 |
24134 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
10 |
4 |
24033 |
55.3 |
-0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[MG]B:3003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
24134 |
54.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.130 |
47 |
|
[MG]D:3007 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24033 |
52.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
53.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.130 |
38 |
48 |
|
[MG]B:3004 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
24134 |
49.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.060 |
39 |
49 |
|
[EDO]D:2786 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
24134 |
47.6 |
0.1 |
0.280 |
3 |
0 |
0 |
0.014 |
40 |
50 |
|
[HCA]C:501 |
7 |
1 |
341 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
24033 |
42.9 |
1.1 |
0.517 |
0 |
0 |
0 |
0.000 |
51 |
|
[HCA]A:501 |
7 |
1 |
342 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24134 |
42.7 |
1.1 |
0.527 |
0 |
0 |
0 |
0.000 |
Average: |
42.8 |
1.1 |
0.522 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[MG]A:3001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19245 |
41.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.059 |
53 |
|
[MG]C:3005 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
19447 |
40.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
41.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.059 |
42 |
54 |
|
[EDO]A:2776 |
3 |
1 |
184 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
5 |
1 |
24033 |
41.1 |
1.5 |
0.896 |
0 |
0 |
0 |
0.000 |
43 |
55 |
|
[EDO]D:2788 |
3 |
1 |
186 |
f |
A |
-x+1,y,-z+1 |
2_656 |
7 |
2 |
19245 |
38.5 |
0.5 |
0.741 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
[EDO]D:2786 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
19245 |
34.6 |
0.5 |
0.194 |
0 |
0 |
0 |
0.000 |
45 |
57 |
|
[MG]B:3002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
24033 |
31.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.088 |
58 |
|
[MG]D:3006 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
24134 |
31.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
31.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
46 |
59 |
|
[MG]D:3006 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
24033 |
29.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.081 |
60 |
|
[MG]B:3002 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
24134 |
29.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
29.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.081 |
47 |
61 |
|
[MG]A:3001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
24134 |
26.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.017 |
62 |
|
[MG]C:3005 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
24033 |
25.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
26.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.017 |
48 |
63 |
|
[MG]B:3002 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
19447 |
21.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
64 |
|
[MG]D:3006 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
19245 |
21.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
21.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
49 |
65 |
|
C |
3 |
1 |
19447 |
x |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
2 |
1 |
19447 |
14.2 |
-0.2 |
0.448 |
0 |
0 |
0 |
0.000 |
50 |
66 |
|
[EDO]B:2778 |
1 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
24033 |
12.5 |
0.5 |
0.869 |
0 |
0 |
0 |
0.000 |
51 |
67 |
|
[EDO]A:2775 |
1 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
24033 |
11.9 |
0.3 |
0.894 |
0 |
0 |
0 |
0.000 |
52 |
68 |
|
[EDO]D:2773 |
2 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
24134 |
11.6 |
0.4 |
0.866 |
0 |
0 |
0 |
0.000 |
53 |
69 |
|
[EDO]A:2774 |
1 |
1 |
185 |
f |
[MG]A:3001 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.012 |
54 |
70 |
|
[EDO]D:2786 |
1 |
1 |
184 |
f |
[EDO]D:2773 |
x,y,z |
1_555 |
2 |
1 |
181 |
6.5 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
71 |
|
A |
1 |
1 |
19245 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
19447 |
5.2 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
56 |
72 |
|
[EDO]C:2779 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
24033 |
4.5 |
0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
[EDO]A:2776 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24134 |
4.3 |
0.1 |
0.893 |
0 |
0 |
0 |
0.000 |
|