## |
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 |
458 |
112 |
24172 |
◊ |
C |
x,y,z |
1_555 |
467 |
125 |
19453 |
4372.7 |
-59.8 |
0.021 |
52 |
19 |
0 |
0.495 |
2 |
|
B |
447 |
109 |
24003 |
◊ |
A |
x,y,z |
1_555 |
453 |
123 |
19413 |
4295.1 |
-59.5 |
0.036 |
52 |
19 |
0 |
0.495 |
Average: |
4333.9 |
-59.7 |
0.028 |
52 |
19 |
0 |
0.495 |
2 |
3 |
|
D |
279 |
71 |
24172 |
◊ |
B |
x,y,z |
1_555 |
280 |
68 |
24003 |
2576.9 |
-25.6 |
0.416 |
40 |
19 |
0 |
0.512 |
3 |
4 |
|
B |
130 |
35 |
24003 |
◊ |
C |
x,y,z |
1_555 |
145 |
37 |
19453 |
1182.4 |
-16.6 |
0.244 |
8 |
5 |
0 |
0.258 |
5 |
|
D |
129 |
35 |
24172 |
◊ |
A |
x,y,z |
1_555 |
145 |
36 |
19413 |
1181.3 |
-16.6 |
0.199 |
9 |
5 |
0 |
0.258 |
Average: |
1181.9 |
-16.6 |
0.221 |
9 |
5 |
0 |
0.258 |
4 |
6 |
|
D |
51 |
17 |
24172 |
◊ |
D |
-x+1,y,-z |
2_655 |
51 |
17 |
24172 |
433.3 |
0.3 |
0.838 |
7 |
2 |
0 |
0.000 |
5 |
7 |
|
[CFM]A:503 |
17 |
1 |
486 |
f |
A |
x,y,z |
1_555 |
49 |
17 |
19413 |
313.1 |
-18.1 |
0.804 |
5 |
0 |
0 |
0.246 |
8 |
|
[CFM]C:503 |
17 |
1 |
481 |
f |
C |
x,y,z |
1_555 |
50 |
17 |
19453 |
312.7 |
-18.6 |
0.771 |
5 |
0 |
0 |
0.246 |
Average: |
312.9 |
-18.4 |
0.787 |
5 |
0 |
0 |
0.246 |
6 |
9 |
|
B |
30 |
7 |
24003 |
◊ |
A |
x,y-1,z |
1_545 |
41 |
16 |
19413 |
298.7 |
2.1 |
0.923 |
3 |
5 |
0 |
0.000 |
7 |
10 |
|
[HCA]C:501 |
13 |
1 |
346 |
f |
C |
x,y,z |
1_555 |
36 |
17 |
19453 |
202.8 |
1.9 |
0.539 |
4 |
0 |
0 |
0.000 |
11 |
|
[HCA]A:501 |
13 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
36 |
17 |
19413 |
202.7 |
1.8 |
0.508 |
4 |
0 |
0 |
0.000 |
Average: |
202.8 |
1.8 |
0.523 |
4 |
0 |
0 |
0.000 |
8 |
12 |
|
D |
21 |
8 |
24172 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
22 |
10 |
19413 |
200.3 |
1.0 |
0.841 |
6 |
1 |
0 |
0.000 |
9 |
13 |
|
[CLF]A:505 |
12 |
1 |
471 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
19413 |
188.7 |
-19.7 |
0.127 |
0 |
0 |
0 |
0.238 |
14 |
|
[CLF]C:505 |
12 |
1 |
471 |
f |
C |
x,y,z |
1_555 |
30 |
11 |
19453 |
188.2 |
-19.7 |
0.143 |
0 |
0 |
0 |
0.238 |
Average: |
188.4 |
-19.7 |
0.135 |
0 |
0 |
0 |
0.238 |
10 |
15 |
|
[CLF]A:505 |
13 |
1 |
471 |
◊ |
B |
x,y,z |
1_555 |
27 |
11 |
24003 |
184.4 |
-18.2 |
0.164 |
0 |
0 |
0 |
0.105 |
16 |
|
[CLF]C:505 |
13 |
1 |
471 |
◊ |
D |
x,y,z |
1_555 |
26 |
11 |
24172 |
184.2 |
-18.2 |
0.136 |
0 |
0 |
0 |
0.105 |
Average: |
184.3 |
-18.2 |
0.150 |
0 |
0 |
0 |
0.105 |
11 |
17 |
|
B |
12 |
3 |
24003 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
16 |
5 |
19453 |
162.6 |
-2.2 |
0.219 |
1 |
2 |
0 |
0.000 |
18 |
|
A |
14 |
5 |
19413 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
12 |
3 |
24172 |
146.7 |
-1.7 |
0.270 |
1 |
2 |
0 |
0.000 |
Average: |
154.7 |
-1.9 |
0.244 |
1 |
2 |
0 |
0.000 |
12 |
19 |
|
[EDO]A:2775 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
19413 |
113.6 |
3.3 |
0.473 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]B:2778 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
24003 |
107.1 |
3.6 |
0.543 |
3 |
0 |
0 |
0.000 |
14 |
21 |
|
[EDO]D:2783 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
24172 |
106.3 |
4.2 |
0.562 |
5 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]A:2777 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
19413 |
101.2 |
3.2 |
0.483 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]D:2785 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24172 |
98.9 |
1.8 |
0.280 |
4 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]A:2776 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
19413 |
89.6 |
1.9 |
0.282 |
4 |
0 |
0 |
0.000 |
18 |
25 |
|
[EDO]C:2782 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
19453 |
89.1 |
1.7 |
0.269 |
4 |
0 |
0 |
0.000 |
19 |
26 |
|
C |
11 |
4 |
19453 |
◊ |
D |
x,y-1,z |
1_545 |
13 |
4 |
24172 |
88.4 |
0.0 |
0.662 |
1 |
1 |
0 |
0.000 |
20 |
27 |
|
[EDO]D:2780 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
24003 |
81.9 |
2.9 |
0.560 |
2 |
0 |
0 |
0.000 |
21 |
28 |
|
[EDO]A:2774 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
20 |
4 |
24003 |
81.7 |
2.5 |
0.492 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[CL]B:2771 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
24003 |
73.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.254 |
30 |
|
[CL]D:2772 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
24172 |
73.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.254 |
Average: |
73.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.254 |
23 |
31 |
|
[EDO]D:2773 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
19413 |
70.7 |
1.2 |
0.269 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
[EDO]B:2781 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
19453 |
69.6 |
1.3 |
0.269 |
1 |
0 |
0 |
0.000 |
25 |
33 |
|
[EDO]D:2780 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
24172 |
67.5 |
1.4 |
0.255 |
1 |
0 |
0 |
0.000 |
26 |
34 |
|
B |
8 |
4 |
24003 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
12 |
5 |
24172 |
66.9 |
0.1 |
0.678 |
1 |
0 |
0 |
0.000 |
27 |
35 |
|
[CFM]C:503 |
7 |
1 |
481 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
346 |
66.6 |
-3.5 |
0.432 |
0 |
0 |
0 |
0.043 |
36 |
|
[CFM]A:503 |
7 |
1 |
486 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
8 |
1 |
342 |
66.5 |
-3.5 |
0.413 |
0 |
0 |
0 |
0.043 |
Average: |
66.5 |
-3.5 |
0.422 |
0 |
0 |
0 |
0.043 |
28 |
37 |
|
[EDO]D:2773 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
24172 |
66.1 |
1.7 |
0.267 |
2 |
0 |
0 |
0.000 |
29 |
38 |
|
[EDO]B:2779 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
24003 |
64.6 |
0.9 |
0.153 |
3 |
0 |
0 |
0.005 |
30 |
39 |
|
[EDO]B:2781 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
24003 |
64.5 |
1.6 |
0.276 |
2 |
0 |
0 |
0.000 |
31 |
40 |
|
[EDO]D:2784 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
24172 |
64.2 |
0.9 |
0.153 |
3 |
0 |
0 |
0.005 |
32 |
41 |
|
[EDO]A:2774 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19413 |
56.9 |
2.0 |
0.950 |
4 |
0 |
0 |
0.000 |
33 |
42 |
|
[MG]B:3003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
24003 |
55.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.129 |
43 |
|
[MG]D:3007 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24172 |
53.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
54.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.129 |
34 |
44 |
|
[MG]B:3004 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
24003 |
50.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.059 |
35 |
45 |
|
B |
5 |
3 |
24003 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
19413 |
47.8 |
-1.2 |
0.279 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[EDO]D:2784 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24003 |
46.4 |
0.1 |
0.266 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[EDO]B:2779 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
24172 |
46.1 |
0.1 |
0.265 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[EDO]D:2784 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
19413 |
44.3 |
0.4 |
0.581 |
1 |
0 |
0 |
0.000 |
39 |
49 |
|
[EDO]B:2779 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
19453 |
44.0 |
0.3 |
0.572 |
1 |
0 |
0 |
0.001 |
40 |
50 |
|
[HCA]C:501 |
7 |
1 |
346 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
24172 |
43.1 |
1.1 |
0.563 |
0 |
0 |
0 |
0.000 |
51 |
|
[HCA]A:501 |
7 |
1 |
342 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24003 |
42.8 |
1.1 |
0.531 |
0 |
0 |
0 |
0.000 |
Average: |
42.9 |
1.1 |
0.547 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[MG]A:3001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19413 |
41.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.057 |
53 |
|
[MG]C:3005 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
19453 |
40.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
41.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.057 |
42 |
54 |
|
C |
5 |
3 |
19453 |
x |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
4 |
1 |
19453 |
36.0 |
0.6 |
0.820 |
1 |
1 |
0 |
0.000 |
43 |
55 |
|
[EDO]A:2776 |
3 |
1 |
184 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
5 |
1 |
24172 |
34.5 |
1.1 |
0.888 |
1 |
0 |
0 |
0.000 |
44 |
56 |
|
[MG]B:3002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
24172 |
31.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.086 |
57 |
|
[MG]D:3006 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
24003 |
31.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
31.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.086 |
45 |
58 |
|
[MG]B:3002 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
24003 |
29.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.078 |
59 |
|
[MG]D:3006 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
24172 |
29.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
29.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.078 |
46 |
60 |
|
[MG]C:3005 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
24172 |
26.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.017 |
61 |
|
[MG]A:3001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
24003 |
26.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
26.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.017 |
47 |
62 |
|
[MG]D:3006 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
19413 |
21.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
63 |
|
[MG]B:3002 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
19453 |
20.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
21.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
48 |
64 |
|
[EDO]B:2781 |
2 |
1 |
182 |
◊ |
[EDO]B:2779 |
x,y,z |
1_555 |
3 |
1 |
186 |
14.6 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
49 |
65 |
|
[EDO]D:2784 |
2 |
1 |
186 |
◊ |
[EDO]D:2773 |
x,y,z |
1_555 |
2 |
1 |
183 |
13.3 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
50 |
66 |
|
[EDO]A:2775 |
1 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
24172 |
12.9 |
0.3 |
0.897 |
0 |
0 |
0 |
0.000 |
51 |
67 |
|
[EDO]B:2781 |
2 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
24172 |
11.3 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
52 |
68 |
|
[EDO]D:2773 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
24003 |
10.5 |
0.4 |
0.877 |
0 |
0 |
0 |
0.000 |
53 |
69 |
|
[EDO]A:2774 |
1 |
1 |
183 |
f |
[MG]A:3001 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.012 |
54 |
70 |
|
[EDO]A:2776 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24003 |
6.4 |
0.2 |
0.908 |
0 |
0 |
0 |
0.000 |
55 |
71 |
|
[EDO]C:2782 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
24172 |
2.9 |
0.1 |
0.879 |
0 |
0 |
0 |
0.000 |
56 |
72 |
|
D |
1 |
1 |
24172 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
24003 |
1.5 |
0.0 |
0.747 |
0 |
0 |
0 |
0.000 |
|