## |
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 |
211 |
58 |
16745 |
◊ |
A |
x,y,z |
1_555 |
212 |
63 |
16718 |
2114.0 |
-29.3 |
0.295 |
14 |
2 |
0 |
0.651 |
2 |
|
E |
214 |
62 |
16701 |
◊ |
A |
x,y,z |
1_555 |
206 |
56 |
16718 |
2090.6 |
-30.8 |
0.242 |
15 |
1 |
0 |
0.651 |
3 |
|
C |
204 |
57 |
16687 |
◊ |
B |
x,y,z |
1_555 |
213 |
61 |
16745 |
2085.8 |
-29.4 |
0.270 |
14 |
1 |
0 |
0.651 |
4 |
|
D |
205 |
56 |
16729 |
◊ |
C |
x,y,z |
1_555 |
210 |
62 |
16687 |
2079.1 |
-30.7 |
0.234 |
15 |
2 |
0 |
0.651 |
5 |
|
E |
205 |
55 |
16701 |
◊ |
D |
x,y,z |
1_555 |
210 |
62 |
16729 |
2050.8 |
-29.0 |
0.285 |
15 |
2 |
0 |
0.651 |
Average: |
2084.1 |
-29.8 |
0.265 |
15 |
2 |
0 |
0.651 |
2 |
6 |
|
B |
67 |
17 |
16745 |
◊ |
B |
-x,y,-z |
2_555 |
68 |
17 |
16745 |
559.8 |
-6.2 |
0.657 |
4 |
2 |
0 |
0.000 |
3 |
7 |
|
D |
52 |
18 |
16729 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
56 |
19 |
16718 |
453.7 |
-3.6 |
0.747 |
3 |
1 |
0 |
0.067 |
4 |
8 |
|
[PLC]C:402 |
29 |
1 |
814 |
f |
C |
x,y,z |
1_555 |
43 |
14 |
16687 |
376.5 |
1.6 |
0.429 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
C |
39 |
13 |
16687 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
42 |
13 |
16701 |
374.5 |
1.3 |
0.944 |
2 |
2 |
0 |
0.000 |
6 |
10 |
|
[PLC]B:401 |
23 |
1 |
698 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
16687 |
211.3 |
-3.2 |
0.235 |
0 |
0 |
0 |
0.013 |
7 |
11 |
|
[PLC]B:401 |
12 |
1 |
698 |
◊ |
B |
x,y,z |
1_555 |
28 |
6 |
16745 |
183.7 |
-0.1 |
0.542 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[LMT]A:406 |
12 |
1 |
436 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
16718 |
153.2 |
1.8 |
0.135 |
0 |
0 |
0 |
0.000 |
13 |
|
[LMT]E:405 |
12 |
1 |
439 |
◊ |
E |
x,y,z |
1_555 |
21 |
7 |
16701 |
150.9 |
1.9 |
0.129 |
0 |
0 |
0 |
0.000 |
Average: |
152.1 |
1.9 |
0.132 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[LMT]D:405 |
12 |
1 |
437 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
16729 |
150.3 |
1.7 |
0.110 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[LMT]C:406 |
12 |
1 |
436 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
16687 |
149.7 |
1.1 |
0.101 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[LMT]B:405 |
12 |
1 |
436 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
16745 |
143.9 |
0.9 |
0.082 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
A |
13 |
4 |
16718 |
◊ |
A |
-x,y,-z |
2_555 |
13 |
4 |
16718 |
125.2 |
3.8 |
0.984 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
E |
12 |
4 |
16701 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16745 |
121.4 |
-2.9 |
0.237 |
0 |
0 |
0 |
0.003 |
19 |
|
A |
12 |
4 |
16718 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16718 |
121.2 |
-2.9 |
0.236 |
0 |
0 |
0 |
0.003 |
20 |
|
D |
12 |
4 |
16729 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16687 |
121.1 |
-2.9 |
0.242 |
0 |
0 |
0 |
0.003 |
Average: |
121.2 |
-2.9 |
0.238 |
0 |
0 |
0 |
0.003 |
14 |
21 |
|
[ACT]A:405 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
16718 |
99.8 |
-0.2 |
0.766 |
2 |
0 |
0 |
0.015 |
15 |
22 |
|
[ACT]B:404 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
16745 |
99.3 |
-0.2 |
0.760 |
3 |
0 |
0 |
0.007 |
16 |
23 |
|
[ACT]E:404 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
16701 |
98.9 |
-0.3 |
0.761 |
3 |
0 |
0 |
0.007 |
17 |
24 |
|
[ACT]C:405 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
16687 |
95.2 |
-0.1 |
0.820 |
3 |
0 |
0 |
0.006 |
18 |
25 |
|
[ACT]D:404 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
16729 |
92.1 |
0.3 |
0.817 |
3 |
0 |
0 |
0.013 |
19 |
26 |
|
[ACT]D:406 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
16701 |
85.6 |
0.3 |
0.801 |
2 |
0 |
0 |
0.039 |
27 |
|
[ACT]C:407 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
16729 |
83.7 |
-0.6 |
0.701 |
2 |
0 |
0 |
0.039 |
28 |
|
[ACT]E:401 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
16718 |
83.6 |
-0.6 |
0.703 |
2 |
0 |
0 |
0.039 |
Average: |
84.3 |
-0.3 |
0.735 |
2 |
0 |
0 |
0.039 |
20 |
29 |
|
[ACT]B:406 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
16687 |
84.8 |
0.4 |
0.851 |
2 |
0 |
0 |
0.002 |
21 |
30 |
|
[ACT]A:407 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
16745 |
81.6 |
0.5 |
0.852 |
2 |
0 |
0 |
0.001 |
22 |
31 |
|
[LMT]D:401 |
10 |
1 |
432 |
◊ |
[LMT]B:405 |
x,y,z |
1_555 |
6 |
1 |
436 |
74.4 |
4.5 |
0.081 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
16687 |
74.2 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.306 |
33 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
16729 |
73.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.306 |
34 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
16718 |
73.4 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.306 |
35 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16745 |
73.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.306 |
36 |
|
[CL]E:402 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
16701 |
72.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.306 |
Average: |
73.4 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.306 |
24 |
37 |
|
[LMT]D:401 |
9 |
1 |
432 |
◊ |
[LMT]C:406 |
x,y,z |
1_555 |
10 |
1 |
436 |
72.2 |
4.0 |
0.038 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[LMT]D:405 |
6 |
1 |
437 |
◊ |
[LMT]D:401 |
x,y,z |
1_555 |
9 |
1 |
432 |
70.4 |
3.3 |
0.049 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[LMT]E:405 |
6 |
1 |
439 |
f |
[LMT]D:401 |
x,y,z |
1_555 |
12 |
1 |
432 |
70.2 |
3.6 |
0.036 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
[LMT]D:401 |
7 |
1 |
432 |
◊ |
[LMT]A:406 |
x,y,z |
1_555 |
8 |
1 |
436 |
69.5 |
3.6 |
0.069 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[ACT]A:407 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16718 |
66.7 |
-0.3 |
0.677 |
1 |
0 |
0 |
0.010 |
29 |
42 |
|
[ACT]C:407 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
16687 |
66.5 |
-0.2 |
0.745 |
1 |
0 |
0 |
0.007 |
43 |
|
[ACT]D:406 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
16729 |
66.3 |
-0.2 |
0.749 |
1 |
0 |
0 |
0.007 |
44 |
|
[ACT]B:406 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
16745 |
64.9 |
-0.3 |
0.727 |
1 |
0 |
0 |
0.007 |
Average: |
65.9 |
-0.2 |
0.741 |
1 |
0 |
0 |
0.007 |
30 |
45 |
|
[ACT]E:401 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
16701 |
65.4 |
-0.2 |
0.742 |
1 |
0 |
0 |
0.002 |
31 |
46 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
16718 |
61.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.231 |
47 |
|
[NA]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
16729 |
61.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.231 |
48 |
|
[NA]E:403 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
16701 |
60.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.231 |
49 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
16745 |
60.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.231 |
50 |
|
[NA]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
16687 |
59.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.231 |
Average: |
60.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.231 |
32 |
51 |
|
[LMT]C:406 |
9 |
1 |
436 |
◊ |
[LMT]B:405 |
x,y,z |
1_555 |
12 |
1 |
436 |
61.2 |
3.4 |
0.018 |
0 |
0 |
0 |
0.000 |
33 |
52 |
|
D |
10 |
6 |
16729 |
f |
[CL]A:403 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
59.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.206 |
53 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16718 |
59.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.206 |
Average: |
59.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.206 |
34 |
54 |
|
[LMT]E:405 |
12 |
1 |
439 |
◊ |
[LMT]D:405 |
x,y,z |
1_555 |
11 |
1 |
437 |
59.2 |
2.8 |
0.010 |
0 |
0 |
0 |
0.000 |
55 |
|
[LMT]E:405 |
9 |
1 |
439 |
◊ |
[LMT]A:406 |
x,y,z |
1_555 |
10 |
1 |
436 |
50.9 |
2.6 |
0.022 |
0 |
0 |
0 |
0.000 |
Average: |
55.0 |
2.7 |
0.016 |
0 |
0 |
0 |
0.000 |
35 |
56 |
|
[LMT]B:405 |
11 |
1 |
436 |
◊ |
[LMT]A:406 |
x,y,z |
1_555 |
6 |
1 |
436 |
58.1 |
2.8 |
0.033 |
0 |
0 |
0 |
0.000 |
36 |
57 |
|
[LMT]D:405 |
10 |
1 |
437 |
◊ |
[LMT]C:406 |
x,y,z |
1_555 |
8 |
1 |
436 |
54.8 |
2.8 |
0.026 |
0 |
0 |
0 |
0.000 |
37 |
58 |
|
[LMT]C:406 |
6 |
1 |
436 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
16729 |
50.1 |
0.8 |
0.107 |
0 |
0 |
0 |
0.000 |
38 |
59 |
|
[LMT]D:405 |
8 |
1 |
437 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
16701 |
48.9 |
0.7 |
0.061 |
0 |
0 |
0 |
0.000 |
60 |
|
[LMT]A:406 |
9 |
1 |
436 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16745 |
48.7 |
0.8 |
0.067 |
0 |
0 |
0 |
0.000 |
61 |
|
[LMT]E:405 |
7 |
1 |
439 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16718 |
46.1 |
0.7 |
0.090 |
0 |
0 |
0 |
0.000 |
Average: |
47.9 |
0.7 |
0.072 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
[LMT]B:405 |
8 |
1 |
436 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16687 |
47.6 |
0.7 |
0.069 |
0 |
0 |
0 |
0.000 |
40 |
63 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
16718 |
39.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.127 |
64 |
|
D |
5 |
2 |
16729 |
◊ |
[CL]A:402 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
38.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
39.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.127 |
41 |
65 |
|
[LMT]B:405 |
4 |
1 |
436 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
16718 |
37.5 |
-0.9 |
0.084 |
0 |
0 |
0 |
0.012 |
42 |
66 |
|
[LMT]E:405 |
4 |
1 |
439 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
16729 |
37.3 |
-0.9 |
0.088 |
0 |
0 |
0 |
0.012 |
67 |
|
[LMT]D:405 |
4 |
1 |
437 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
16687 |
34.4 |
-0.9 |
0.092 |
0 |
0 |
0 |
0.012 |
Average: |
35.8 |
-0.9 |
0.090 |
0 |
0 |
0 |
0.012 |
43 |
68 |
|
[LMT]C:406 |
3 |
1 |
436 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
16745 |
35.5 |
-1.1 |
0.104 |
0 |
0 |
0 |
0.005 |
44 |
69 |
|
[LMT]A:406 |
3 |
1 |
436 |
f |
E |
x,y,z |
1_555 |
4 |
3 |
16701 |
31.4 |
-0.7 |
0.134 |
0 |
0 |
0 |
0.003 |
45 |
70 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16687 |
25.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.037 |
71 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16729 |
22.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.037 |
72 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16745 |
21.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.037 |
73 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16718 |
19.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
74 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16701 |
19.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
21.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.037 |
46 |
75 |
|
[LMT]D:401 |
2 |
1 |
432 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16701 |
20.5 |
-0.5 |
0.184 |
0 |
0 |
0 |
0.002 |
47 |
76 |
|
[LMT]D:401 |
3 |
1 |
432 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
16729 |
20.4 |
-0.6 |
0.090 |
0 |
0 |
0 |
0.008 |
48 |
77 |
|
[LMT]D:401 |
3 |
1 |
432 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16687 |
18.2 |
-0.6 |
0.098 |
0 |
0 |
0 |
0.002 |
49 |
78 |
|
[LMT]D:401 |
2 |
1 |
432 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16718 |
15.1 |
-0.2 |
0.173 |
0 |
0 |
0 |
0.000 |
50 |
79 |
|
[LMT]D:401 |
3 |
1 |
432 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16745 |
11.8 |
-0.2 |
0.120 |
0 |
0 |
0 |
0.000 |
51 |
80 |
|
[CL]C:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
16745 |
8.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
81 |
|
[CL]A:401 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
16701 |
7.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
82 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16718 |
5.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
83 |
|
[CL]E:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16729 |
4.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
84 |
|
[CL]D:402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16687 |
4.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
6.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
52 |
85 |
|
C |
1 |
1 |
16687 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
16718 |
6.9 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|