## |
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 |
208 |
57 |
16799 |
◊ |
A |
x,y,z |
1_555 |
212 |
63 |
16766 |
2095.7 |
-29.3 |
0.271 |
12 |
2 |
0 |
0.651 |
2 |
|
E |
211 |
62 |
16741 |
◊ |
A |
x,y,z |
1_555 |
206 |
56 |
16766 |
2076.9 |
-30.0 |
0.246 |
15 |
1 |
0 |
0.651 |
3 |
|
C |
205 |
57 |
16730 |
◊ |
B |
x,y,z |
1_555 |
213 |
63 |
16799 |
2075.6 |
-30.2 |
0.227 |
12 |
1 |
0 |
0.651 |
4 |
|
D |
202 |
56 |
16766 |
◊ |
C |
x,y,z |
1_555 |
209 |
62 |
16730 |
2068.3 |
-30.7 |
0.213 |
14 |
2 |
0 |
0.651 |
5 |
|
E |
204 |
55 |
16741 |
◊ |
D |
x,y,z |
1_555 |
210 |
62 |
16766 |
2066.5 |
-29.3 |
0.263 |
14 |
2 |
0 |
0.651 |
Average: |
2076.6 |
-29.9 |
0.244 |
13 |
2 |
0 |
0.651 |
2 |
6 |
|
B |
70 |
18 |
16799 |
◊ |
B |
-x,y,-z |
2_555 |
70 |
18 |
16799 |
562.6 |
-6.0 |
0.687 |
0 |
2 |
0 |
0.000 |
3 |
7 |
|
D |
50 |
18 |
16766 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
55 |
19 |
16766 |
444.2 |
-3.4 |
0.746 |
4 |
1 |
0 |
0.068 |
4 |
8 |
|
[PLC]C:402 |
29 |
1 |
815 |
f |
C |
x,y,z |
1_555 |
43 |
14 |
16730 |
377.6 |
1.6 |
0.415 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
C |
39 |
13 |
16730 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
41 |
13 |
16741 |
367.1 |
1.5 |
0.946 |
2 |
3 |
0 |
0.000 |
6 |
10 |
|
[PLC]B:401 |
23 |
1 |
696 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
16730 |
211.9 |
-3.2 |
0.238 |
0 |
0 |
0 |
0.015 |
7 |
11 |
|
[PLC]B:401 |
12 |
1 |
696 |
◊ |
B |
x,y,z |
1_555 |
28 |
6 |
16799 |
182.8 |
-0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[LMT]A:406 |
12 |
1 |
438 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
16766 |
154.7 |
1.9 |
0.131 |
0 |
0 |
0 |
0.000 |
13 |
|
[LMT]E:405 |
12 |
1 |
441 |
◊ |
E |
x,y,z |
1_555 |
21 |
7 |
16741 |
152.0 |
2.0 |
0.114 |
0 |
0 |
0 |
0.000 |
Average: |
153.3 |
2.0 |
0.122 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[LMT]C:406 |
12 |
1 |
437 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
16730 |
151.2 |
1.2 |
0.102 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[LMT]D:405 |
12 |
1 |
436 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
16766 |
150.9 |
1.8 |
0.125 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
A |
14 |
4 |
16766 |
◊ |
A |
-x,y,-z |
2_555 |
14 |
4 |
16766 |
146.1 |
3.7 |
0.983 |
8 |
0 |
0 |
0.000 |
12 |
17 |
|
[LMT]B:405 |
12 |
1 |
435 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
16799 |
145.2 |
0.9 |
0.077 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
E |
12 |
4 |
16741 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16799 |
119.0 |
-2.8 |
0.247 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
12 |
4 |
16766 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16766 |
118.5 |
-2.8 |
0.248 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
12 |
4 |
16766 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16730 |
117.1 |
-2.8 |
0.253 |
0 |
0 |
0 |
0.000 |
Average: |
118.2 |
-2.8 |
0.249 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[ACT]B:404 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
16799 |
100.2 |
-0.2 |
0.760 |
3 |
0 |
0 |
0.006 |
15 |
22 |
|
[ACT]A:405 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
16766 |
99.6 |
-0.3 |
0.766 |
2 |
0 |
0 |
0.015 |
16 |
23 |
|
[ACT]E:404 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
16741 |
99.5 |
-0.3 |
0.760 |
3 |
0 |
0 |
0.007 |
17 |
24 |
|
[ACT]C:405 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
16730 |
95.4 |
-0.1 |
0.816 |
2 |
0 |
0 |
0.005 |
18 |
25 |
|
[ACT]D:404 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
16766 |
92.6 |
0.3 |
0.814 |
3 |
0 |
0 |
0.013 |
19 |
26 |
|
[ACT]B:406 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
16730 |
87.3 |
0.3 |
0.848 |
2 |
0 |
0 |
0.003 |
20 |
27 |
|
[ACT]D:406 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
16741 |
85.0 |
0.3 |
0.799 |
2 |
0 |
0 |
0.026 |
28 |
|
[ACT]C:407 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
16766 |
84.5 |
-0.6 |
0.696 |
2 |
0 |
0 |
0.026 |
29 |
|
[ACT]E:401 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
16766 |
83.4 |
0.4 |
0.799 |
2 |
0 |
0 |
0.026 |
Average: |
84.3 |
0.0 |
0.764 |
2 |
0 |
0 |
0.026 |
21 |
30 |
|
[ACT]A:407 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
16799 |
82.0 |
0.5 |
0.854 |
2 |
0 |
0 |
0.001 |
22 |
31 |
|
[LMT]D:401 |
10 |
1 |
434 |
◊ |
[LMT]B:405 |
x,y,z |
1_555 |
6 |
1 |
435 |
76.5 |
4.6 |
0.077 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
16766 |
73.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.296 |
33 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
16766 |
73.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.296 |
34 |
|
[CL]E:402 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
16741 |
72.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.296 |
35 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16799 |
72.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.296 |
36 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
16730 |
72.2 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.296 |
Average: |
72.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.296 |
24 |
37 |
|
[LMT]D:401 |
9 |
1 |
434 |
◊ |
[LMT]C:406 |
x,y,z |
1_555 |
10 |
1 |
437 |
73.0 |
4.1 |
0.036 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[LMT]D:405 |
6 |
1 |
436 |
f |
[LMT]D:401 |
x,y,z |
1_555 |
9 |
1 |
434 |
71.5 |
3.4 |
0.058 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[LMT]E:405 |
6 |
1 |
441 |
◊ |
[LMT]D:401 |
x,y,z |
1_555 |
11 |
1 |
434 |
70.6 |
3.7 |
0.044 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
[LMT]D:401 |
7 |
1 |
434 |
◊ |
[LMT]A:406 |
x,y,z |
1_555 |
8 |
1 |
438 |
68.8 |
3.6 |
0.062 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[ACT]D:406 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
16766 |
66.5 |
-0.2 |
0.738 |
1 |
0 |
0 |
0.008 |
42 |
|
[ACT]C:407 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
16730 |
65.9 |
-0.2 |
0.749 |
1 |
0 |
0 |
0.008 |
43 |
|
[ACT]B:406 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
16799 |
60.9 |
-1.0 |
0.604 |
0 |
0 |
0 |
0.008 |
Average: |
64.4 |
-0.5 |
0.697 |
1 |
0 |
0 |
0.008 |
29 |
44 |
|
[ACT]A:407 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16766 |
66.3 |
-0.3 |
0.677 |
1 |
0 |
0 |
0.010 |
30 |
45 |
|
[ACT]E:401 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
16741 |
65.6 |
-0.2 |
0.744 |
1 |
0 |
0 |
0.002 |
31 |
46 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
16766 |
61.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.225 |
47 |
|
[NA]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
16766 |
61.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.225 |
48 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
16799 |
60.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.225 |
49 |
|
[NA]E:403 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
16741 |
60.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.225 |
50 |
|
[NA]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
16730 |
60.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.225 |
Average: |
61.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.225 |
32 |
51 |
|
D |
11 |
6 |
16766 |
f |
[CL]A:403 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
59.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.201 |
52 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16766 |
59.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.201 |
Average: |
59.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.201 |
33 |
53 |
|
[LMT]C:406 |
9 |
1 |
437 |
◊ |
[LMT]B:405 |
x,y,z |
1_555 |
10 |
1 |
435 |
59.7 |
3.3 |
0.027 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
[LMT]B:405 |
11 |
1 |
435 |
◊ |
[LMT]A:406 |
x,y,z |
1_555 |
6 |
1 |
438 |
58.2 |
2.9 |
0.032 |
0 |
0 |
0 |
0.000 |
35 |
55 |
|
[LMT]E:405 |
10 |
1 |
441 |
◊ |
[LMT]D:405 |
x,y,z |
1_555 |
11 |
1 |
436 |
57.4 |
2.7 |
0.014 |
0 |
0 |
0 |
0.000 |
56 |
|
[LMT]E:405 |
9 |
1 |
441 |
◊ |
[LMT]A:406 |
x,y,z |
1_555 |
9 |
1 |
438 |
52.2 |
2.7 |
0.024 |
0 |
0 |
0 |
0.000 |
Average: |
54.8 |
2.7 |
0.019 |
0 |
0 |
0 |
0.000 |
36 |
57 |
|
[LMT]D:405 |
10 |
1 |
436 |
◊ |
[LMT]C:406 |
x,y,z |
1_555 |
8 |
1 |
437 |
54.1 |
2.8 |
0.030 |
0 |
0 |
0 |
0.000 |
37 |
58 |
|
[LMT]C:406 |
6 |
1 |
437 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
16766 |
50.4 |
0.8 |
0.106 |
0 |
0 |
0 |
0.000 |
38 |
59 |
|
[LMT]A:406 |
8 |
1 |
438 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16799 |
48.7 |
0.8 |
0.074 |
0 |
0 |
0 |
0.000 |
60 |
|
[LMT]D:405 |
8 |
1 |
436 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
16741 |
48.4 |
0.8 |
0.079 |
0 |
0 |
0 |
0.000 |
61 |
|
[LMT]E:405 |
8 |
1 |
441 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16766 |
45.0 |
0.7 |
0.065 |
0 |
0 |
0 |
0.000 |
Average: |
47.4 |
0.7 |
0.073 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
[LMT]B:405 |
8 |
1 |
435 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16730 |
45.5 |
0.7 |
0.065 |
0 |
0 |
0 |
0.000 |
40 |
63 |
|
D |
5 |
2 |
16766 |
◊ |
[CL]A:402 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
39.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.123 |
64 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
16766 |
39.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
39.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.123 |
41 |
65 |
|
[LMT]B:405 |
4 |
1 |
435 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
16766 |
37.8 |
-0.9 |
0.083 |
0 |
0 |
0 |
0.012 |
42 |
66 |
|
[LMT]E:405 |
4 |
1 |
441 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
16766 |
37.6 |
-0.9 |
0.088 |
0 |
0 |
0 |
0.012 |
67 |
|
[LMT]A:406 |
3 |
1 |
438 |
f |
E |
x,y,z |
1_555 |
4 |
3 |
16741 |
30.7 |
-0.7 |
0.125 |
0 |
0 |
0 |
0.012 |
Average: |
34.2 |
-0.8 |
0.106 |
0 |
0 |
0 |
0.012 |
43 |
68 |
|
[LMT]C:406 |
3 |
1 |
437 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
16799 |
34.9 |
-1.0 |
0.105 |
0 |
0 |
0 |
0.004 |
44 |
69 |
|
[LMT]D:405 |
4 |
1 |
436 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
16730 |
33.7 |
-0.9 |
0.093 |
0 |
0 |
0 |
0.004 |
45 |
70 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16730 |
25.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
71 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16766 |
22.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.036 |
72 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16799 |
20.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.036 |
73 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16741 |
18.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.036 |
74 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16766 |
18.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
21.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.036 |
46 |
75 |
|
[LMT]D:401 |
3 |
1 |
434 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
16730 |
18.9 |
-0.6 |
0.097 |
0 |
0 |
0 |
0.003 |
47 |
76 |
|
[LMT]D:401 |
3 |
1 |
434 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16766 |
18.8 |
-0.6 |
0.095 |
0 |
0 |
0 |
0.002 |
48 |
77 |
|
[LMT]D:401 |
2 |
1 |
434 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
16741 |
16.8 |
-0.3 |
0.151 |
0 |
0 |
0 |
0.001 |
49 |
78 |
|
[LMT]D:401 |
2 |
1 |
434 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16766 |
14.7 |
-0.2 |
0.163 |
0 |
0 |
0 |
0.000 |
50 |
79 |
|
[LMT]D:401 |
3 |
1 |
434 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16799 |
13.1 |
-0.3 |
0.116 |
0 |
0 |
0 |
0.000 |
51 |
80 |
|
[CL]C:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16799 |
12.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
81 |
|
[CL]A:401 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
16741 |
7.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
82 |
|
[CL]E:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16766 |
6.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
83 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16766 |
4.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
84 |
|
[CL]D:402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16730 |
4.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
6.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
52 |
85 |
|
C |
1 |
1 |
16730 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
16766 |
4.9 |
0.0 |
0.706 |
0 |
0 |
0 |
0.000 |
|