## |
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 |
113 |
23891 |
◊ |
C |
x,y,z |
1_555 |
469 |
123 |
19467 |
4361.7 |
-60.2 |
0.023 |
49 |
19 |
0 |
0.517 |
2 |
|
B |
452 |
110 |
23911 |
◊ |
A |
x,y,z |
1_555 |
455 |
124 |
19278 |
4303.7 |
-59.9 |
0.026 |
54 |
20 |
0 |
0.517 |
Average: |
4332.7 |
-60.0 |
0.024 |
52 |
20 |
0 |
0.517 |
2 |
3 |
|
D |
278 |
71 |
23891 |
◊ |
B |
x,y,z |
1_555 |
282 |
69 |
23911 |
2563.6 |
-26.0 |
0.368 |
39 |
21 |
0 |
0.532 |
3 |
4 |
|
B |
132 |
37 |
23911 |
◊ |
C |
x,y,z |
1_555 |
147 |
39 |
19467 |
1187.4 |
-16.3 |
0.250 |
9 |
5 |
0 |
0.270 |
5 |
|
D |
130 |
35 |
23891 |
◊ |
A |
x,y,z |
1_555 |
145 |
36 |
19278 |
1176.5 |
-16.6 |
0.196 |
9 |
5 |
0 |
0.270 |
Average: |
1181.9 |
-16.4 |
0.223 |
9 |
5 |
0 |
0.270 |
4 |
6 |
|
D |
47 |
17 |
23891 |
◊ |
D |
-x+1,y,-z |
2_655 |
48 |
17 |
23891 |
457.3 |
0.5 |
0.847 |
7 |
2 |
0 |
0.000 |
5 |
7 |
|
[CFM]C:503 |
17 |
1 |
483 |
f |
C |
x,y,z |
1_555 |
49 |
17 |
19467 |
311.6 |
-18.6 |
0.777 |
5 |
0 |
0 |
0.256 |
8 |
|
[CFM]A:503 |
17 |
1 |
485 |
f |
A |
x,y,z |
1_555 |
50 |
17 |
19278 |
311.2 |
-18.0 |
0.798 |
5 |
0 |
0 |
0.256 |
Average: |
311.4 |
-18.3 |
0.787 |
5 |
0 |
0 |
0.256 |
6 |
9 |
|
B |
32 |
9 |
23911 |
◊ |
A |
x,y-1,z |
1_545 |
44 |
18 |
19278 |
307.6 |
1.6 |
0.896 |
3 |
5 |
0 |
0.000 |
7 |
10 |
|
D |
25 |
9 |
23891 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
25 |
10 |
19278 |
223.9 |
1.1 |
0.839 |
8 |
1 |
0 |
0.000 |
8 |
11 |
|
[HCA]A:501 |
13 |
1 |
343 |
f |
A |
x,y,z |
1_555 |
36 |
17 |
19278 |
201.8 |
1.8 |
0.493 |
4 |
0 |
0 |
0.000 |
12 |
|
[HCA]C:501 |
13 |
1 |
344 |
f |
C |
x,y,z |
1_555 |
36 |
17 |
19467 |
201.0 |
1.9 |
0.528 |
4 |
0 |
0 |
0.000 |
Average: |
201.4 |
1.9 |
0.511 |
4 |
0 |
0 |
0.000 |
9 |
13 |
|
[CLF]C:505 |
12 |
1 |
458 |
f |
C |
x,y,z |
1_555 |
29 |
11 |
19467 |
182.0 |
-19.0 |
0.145 |
0 |
0 |
0 |
0.231 |
14 |
|
[CLF]A:505 |
12 |
1 |
451 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
19278 |
181.2 |
-17.8 |
0.125 |
1 |
0 |
0 |
0.231 |
Average: |
181.6 |
-18.4 |
0.135 |
1 |
0 |
0 |
0.231 |
10 |
15 |
|
[CLF]C:505 |
13 |
1 |
458 |
◊ |
D |
x,y,z |
1_555 |
25 |
11 |
23891 |
181.5 |
-17.3 |
0.130 |
1 |
0 |
0 |
0.104 |
16 |
|
[CLF]A:505 |
12 |
1 |
451 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
23911 |
178.9 |
-17.0 |
0.155 |
0 |
0 |
0 |
0.104 |
Average: |
180.2 |
-17.2 |
0.143 |
1 |
0 |
0 |
0.104 |
11 |
17 |
|
A |
15 |
5 |
19278 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
17 |
4 |
23891 |
157.9 |
-1.8 |
0.345 |
1 |
2 |
0 |
0.000 |
18 |
|
B |
14 |
5 |
23911 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
15 |
6 |
19467 |
146.0 |
-1.9 |
0.319 |
1 |
2 |
0 |
0.000 |
Average: |
152.0 |
-1.9 |
0.332 |
1 |
2 |
0 |
0.000 |
12 |
19 |
|
[EDO]A:2910 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
19278 |
113.7 |
3.1 |
0.464 |
2 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]B:2903 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
23911 |
106.9 |
3.6 |
0.538 |
3 |
0 |
0 |
0.000 |
14 |
21 |
|
[EDO]D:2916 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
23891 |
105.9 |
4.2 |
0.562 |
5 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]A:2912 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
19278 |
101.7 |
3.2 |
0.487 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]A:2915 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
19278 |
98.0 |
2.2 |
0.278 |
2 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]D:2918 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
23891 |
97.9 |
1.8 |
0.276 |
4 |
0 |
0 |
0.000 |
18 |
25 |
|
[EDO]B:2906 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
23911 |
97.3 |
1.9 |
0.283 |
3 |
0 |
0 |
0.000 |
19 |
26 |
|
[EDO]D:2919 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
23891 |
93.4 |
3.9 |
0.551 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[EDO]B:2905 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
23911 |
90.7 |
3.4 |
0.542 |
2 |
0 |
0 |
0.000 |
21 |
28 |
|
[EDO]C:2914 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
19467 |
88.9 |
1.8 |
0.278 |
4 |
0 |
0 |
0.000 |
22 |
29 |
|
[EDO]A:2911 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
19278 |
84.3 |
1.5 |
0.280 |
4 |
0 |
0 |
0.004 |
23 |
30 |
|
[EDO]A:2909 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
20 |
4 |
23911 |
81.9 |
2.4 |
0.484 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[EDO]B:2907 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
23911 |
74.9 |
1.7 |
0.257 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
C |
6 |
3 |
19467 |
◊ |
D |
x,y-1,z |
1_545 |
11 |
4 |
23891 |
74.0 |
0.4 |
0.714 |
1 |
2 |
0 |
0.000 |
26 |
33 |
|
[CL]B:2902 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23911 |
73.5 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.262 |
34 |
|
[CL]D:2901 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
23891 |
73.2 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.262 |
Average: |
73.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.262 |
27 |
35 |
|
[EDO]D:2908 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
19278 |
70.7 |
1.2 |
0.266 |
1 |
0 |
0 |
0.000 |
28 |
36 |
|
[EDO]B:2907 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
23891 |
68.6 |
1.5 |
0.206 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[EDO]B:2913 |
4 |
1 |
180 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
19467 |
67.9 |
1.3 |
0.269 |
1 |
0 |
0 |
0.000 |
30 |
38 |
|
[CFM]C:503 |
7 |
1 |
483 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
344 |
66.7 |
-3.5 |
0.435 |
0 |
0 |
0 |
0.044 |
39 |
|
[CFM]A:503 |
7 |
1 |
485 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
8 |
1 |
343 |
66.1 |
-3.5 |
0.401 |
0 |
0 |
0 |
0.044 |
Average: |
66.4 |
-3.5 |
0.418 |
0 |
0 |
0 |
0.044 |
31 |
40 |
|
[EDO]D:2908 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
23891 |
64.7 |
1.6 |
0.267 |
2 |
0 |
0 |
0.000 |
32 |
41 |
|
B |
7 |
3 |
23911 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
7 |
2 |
19278 |
64.5 |
-0.2 |
0.605 |
1 |
0 |
0 |
0.000 |
33 |
42 |
|
[EDO]D:2917 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
23891 |
63.9 |
0.9 |
0.256 |
3 |
0 |
0 |
0.005 |
34 |
43 |
|
[EDO]B:2913 |
4 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
23911 |
63.7 |
1.5 |
0.269 |
2 |
0 |
0 |
0.000 |
35 |
44 |
|
[EDO]B:2904 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
23911 |
62.6 |
0.8 |
0.163 |
2 |
0 |
0 |
0.000 |
36 |
45 |
|
[EDO]A:2909 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19278 |
56.6 |
1.9 |
0.951 |
4 |
0 |
0 |
0.000 |
37 |
46 |
|
[MG]B:3003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
23911 |
55.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.138 |
47 |
|
[MG]D:3007 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
23891 |
51.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.138 |
Average: |
53.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.138 |
38 |
48 |
|
[MG]B:3004 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
23911 |
50.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.062 |
39 |
49 |
|
B |
8 |
4 |
23911 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
9 |
4 |
23891 |
50.1 |
-0.2 |
0.609 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
[EDO]B:2904 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
23891 |
46.9 |
0.2 |
0.268 |
1 |
0 |
0 |
0.003 |
41 |
51 |
|
[EDO]D:2917 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
23911 |
46.4 |
0.1 |
0.271 |
0 |
0 |
0 |
0.000 |
42 |
52 |
|
C |
6 |
3 |
19467 |
x |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
4 |
1 |
19467 |
44.5 |
0.6 |
0.828 |
0 |
1 |
0 |
0.000 |
43 |
53 |
|
[EDO]D:2917 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
19278 |
43.8 |
0.4 |
0.611 |
1 |
0 |
0 |
0.000 |
44 |
54 |
|
[HCA]C:501 |
7 |
1 |
344 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
23891 |
43.3 |
1.1 |
0.531 |
0 |
0 |
0 |
0.000 |
55 |
|
[HCA]A:501 |
7 |
1 |
343 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
23911 |
43.0 |
1.1 |
0.543 |
0 |
0 |
0 |
0.000 |
Average: |
43.2 |
1.1 |
0.537 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
[EDO]B:2904 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
19467 |
41.7 |
0.2 |
0.608 |
1 |
0 |
0 |
0.001 |
46 |
57 |
|
[MG]C:3005 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
19467 |
41.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.060 |
58 |
|
[MG]A:3001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19278 |
41.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
41.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.060 |
47 |
59 |
|
[EDO]D:2919 |
2 |
1 |
182 |
f |
A |
-x+1,y,-z+1 |
2_656 |
6 |
2 |
19278 |
40.7 |
0.9 |
0.508 |
0 |
0 |
0 |
0.000 |
48 |
60 |
|
[EDO]A:2911 |
3 |
1 |
182 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
5 |
1 |
23891 |
38.3 |
1.3 |
0.863 |
0 |
0 |
0 |
0.000 |
49 |
61 |
|
[MG]D:3006 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
23911 |
31.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
62 |
|
[MG]B:3002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
23891 |
31.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
31.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.088 |
50 |
63 |
|
[MG]B:3002 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
23911 |
29.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.080 |
64 |
|
[MG]D:3006 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
23891 |
29.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
29.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.080 |
51 |
65 |
|
[MG]A:3001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
23911 |
27.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.018 |
66 |
|
[MG]C:3005 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
23891 |
26.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
26.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.018 |
52 |
67 |
|
[MG]D:3006 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
19278 |
21.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
68 |
|
[MG]B:3002 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
19467 |
20.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
21.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
53 |
69 |
|
[EDO]B:2913 |
2 |
1 |
180 |
f |
[EDO]B:2904 |
x,y,z |
1_555 |
2 |
1 |
184 |
16.8 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
70 |
|
[EDO]A:2910 |
3 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
23891 |
16.2 |
0.4 |
0.866 |
0 |
0 |
0 |
0.000 |
55 |
71 |
|
[EDO]D:2917 |
3 |
1 |
186 |
◊ |
[EDO]D:2908 |
x,y,z |
1_555 |
2 |
1 |
182 |
13.7 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
72 |
|
[EDO]B:2913 |
2 |
1 |
180 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
23891 |
12.0 |
0.4 |
0.873 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
[EDO]D:2908 |
2 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
23911 |
11.2 |
0.4 |
0.877 |
0 |
0 |
0 |
0.000 |
58 |
74 |
|
[EDO]A:2909 |
1 |
1 |
183 |
f |
[MG]A:3001 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.013 |
59 |
75 |
|
[EDO]A:2911 |
2 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
23911 |
5.4 |
0.2 |
0.901 |
0 |
0 |
0 |
0.000 |
60 |
76 |
|
[EDO]C:2914 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
23891 |
4.4 |
0.1 |
0.892 |
0 |
0 |
0 |
0.000 |
61 |
77 |
|
D |
1 |
1 |
23891 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
23911 |
0.5 |
0.0 |
0.700 |
0 |
0 |
0 |
0.000 |
|