| ## |
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 |
|
E |
216 |
62 |
16764 |
◊ |
A |
x,y,z |
1_555 |
208 |
57 |
16772 |
2115.7 |
-30.0 |
0.275 |
17 |
2 |
0 |
0.651 |
2 |
|
B |
209 |
56 |
16781 |
◊ |
A |
x,y,z |
1_555 |
214 |
62 |
16772 |
2088.6 |
-30.7 |
0.242 |
15 |
3 |
0 |
0.651 |
3 |
|
C |
203 |
53 |
16767 |
◊ |
B |
x,y,z |
1_555 |
217 |
60 |
16781 |
2079.3 |
-30.5 |
0.239 |
14 |
2 |
0 |
0.651 |
4 |
|
D |
207 |
56 |
16785 |
◊ |
C |
x,y,z |
1_555 |
218 |
62 |
16767 |
2077.8 |
-29.6 |
0.289 |
14 |
4 |
0 |
0.651 |
5 |
|
E |
205 |
55 |
16764 |
◊ |
D |
x,y,z |
1_555 |
212 |
62 |
16785 |
2072.3 |
-29.6 |
0.272 |
16 |
3 |
0 |
0.651 |
| Average: |
2086.8 |
-30.1 |
0.263 |
15 |
3 |
0 |
0.651 |
| 2 |
6 |
|
C |
70 |
21 |
16767 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
71 |
22 |
16764 |
662.8 |
-1.3 |
0.921 |
6 |
2 |
0 |
0.000 |
| 3 |
7 |
|
B |
64 |
19 |
16781 |
◊ |
B |
-x,y,-z |
2_555 |
65 |
19 |
16781 |
531.3 |
-6.7 |
0.598 |
0 |
0 |
0 |
0.000 |
| 4 |
8 |
|
[PLC]C:402 |
30 |
1 |
819 |
f |
C |
x,y,z |
1_555 |
44 |
14 |
16767 |
377.0 |
1.5 |
0.419 |
0 |
0 |
0 |
0.000 |
| 5 |
9 |
|
D |
35 |
11 |
16785 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
36 |
11 |
16772 |
279.0 |
-2.9 |
0.656 |
2 |
0 |
0 |
0.052 |
| 6 |
10 |
|
[PLC]B:401 |
23 |
1 |
697 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
16767 |
213.8 |
-3.2 |
0.249 |
0 |
0 |
0 |
0.012 |
| 7 |
11 |
|
[PLC]B:401 |
12 |
1 |
697 |
◊ |
B |
x,y,z |
1_555 |
27 |
6 |
16781 |
184.4 |
-0.2 |
0.524 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
A |
16 |
4 |
16772 |
◊ |
A |
-x,y,-z |
2_555 |
16 |
4 |
16772 |
177.7 |
1.1 |
0.893 |
4 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[LMT]A:406 |
12 |
1 |
437 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
16772 |
155.2 |
1.9 |
0.121 |
0 |
0 |
0 |
0.000 |
14 |
|
[LMT]E:405 |
12 |
1 |
440 |
◊ |
E |
x,y,z |
1_555 |
21 |
7 |
16764 |
152.5 |
1.9 |
0.128 |
0 |
0 |
0 |
0.000 |
| Average: |
153.9 |
1.9 |
0.125 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[LMT]C:406 |
12 |
1 |
438 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
16767 |
151.7 |
1.3 |
0.102 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[LMT]D:405 |
12 |
1 |
439 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
16785 |
150.9 |
1.8 |
0.120 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[LMT]B:405 |
12 |
1 |
437 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
16781 |
146.7 |
1.0 |
0.071 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
A |
12 |
4 |
16772 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16772 |
114.6 |
-2.6 |
0.280 |
0 |
0 |
0 |
0.000 |
19 |
|
E |
13 |
4 |
16764 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16781 |
108.8 |
-2.4 |
0.336 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
12 |
4 |
16785 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
11 |
4 |
16767 |
102.7 |
-2.2 |
0.338 |
0 |
0 |
0 |
0.000 |
| Average: |
108.7 |
-2.4 |
0.318 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[ACT]A:405 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
16772 |
100.3 |
-0.3 |
0.765 |
2 |
0 |
0 |
0.016 |
| 15 |
22 |
|
[ACT]B:404 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
16781 |
99.9 |
-0.1 |
0.808 |
3 |
0 |
0 |
0.006 |
| 16 |
23 |
|
[ACT]E:404 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
16764 |
98.5 |
-0.2 |
0.764 |
3 |
0 |
0 |
0.006 |
| 17 |
24 |
|
[ACT]C:405 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
16767 |
96.8 |
-0.1 |
0.817 |
2 |
0 |
0 |
0.004 |
| 18 |
25 |
|
[ACT]D:404 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
16785 |
91.9 |
0.4 |
0.822 |
3 |
0 |
0 |
0.013 |
| 19 |
26 |
|
[ACT]B:406 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
16767 |
90.5 |
-0.8 |
0.617 |
2 |
0 |
0 |
0.047 |
27 |
|
[ACT]D:406 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
16764 |
89.6 |
-0.8 |
0.663 |
2 |
0 |
0 |
0.047 |
28 |
|
[ACT]C:407 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
16785 |
88.7 |
-0.9 |
0.644 |
2 |
0 |
0 |
0.047 |
29 |
|
[ACT]E:401 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
16772 |
87.7 |
-0.8 |
0.669 |
2 |
0 |
0 |
0.047 |
| Average: |
89.1 |
-0.8 |
0.648 |
2 |
0 |
0 |
0.047 |
| 20 |
30 |
|
[ACT]A:407 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
16781 |
87.8 |
-0.7 |
0.739 |
2 |
0 |
0 |
0.006 |
| 21 |
31 |
|
[LMT]D:401 |
10 |
1 |
433 |
◊ |
[LMT]B:405 |
x,y,z |
1_555 |
6 |
1 |
437 |
75.0 |
4.5 |
0.076 |
0 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
16772 |
73.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.316 |
33 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
16785 |
73.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.316 |
34 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
16767 |
72.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.316 |
35 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
16781 |
72.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.316 |
36 |
|
[CL]E:402 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
16764 |
72.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.316 |
| Average: |
72.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.316 |
| 23 |
37 |
|
[LMT]D:401 |
8 |
1 |
433 |
◊ |
[LMT]C:406 |
x,y,z |
1_555 |
10 |
1 |
438 |
72.9 |
4.0 |
0.046 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[LMT]D:405 |
6 |
1 |
439 |
◊ |
[LMT]D:401 |
x,y,z |
1_555 |
9 |
1 |
433 |
71.7 |
3.3 |
0.056 |
0 |
0 |
0 |
0.000 |
| 25 |
39 |
|
[LMT]D:401 |
7 |
1 |
433 |
◊ |
[LMT]A:406 |
x,y,z |
1_555 |
8 |
1 |
437 |
69.8 |
3.6 |
0.062 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[LMT]E:405 |
7 |
1 |
440 |
f |
[LMT]D:401 |
x,y,z |
1_555 |
10 |
1 |
433 |
69.7 |
3.6 |
0.041 |
0 |
0 |
0 |
0.000 |
| 27 |
41 |
|
[ACT]A:407 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
16772 |
66.1 |
-0.3 |
0.682 |
1 |
0 |
0 |
0.003 |
| 28 |
42 |
|
[ACT]D:406 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
16785 |
66.0 |
-0.2 |
0.743 |
1 |
0 |
0 |
0.010 |
43 |
|
[ACT]C:407 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
16767 |
65.2 |
-0.2 |
0.755 |
1 |
0 |
0 |
0.010 |
44 |
|
[ACT]E:401 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
16764 |
64.2 |
-0.2 |
0.749 |
1 |
0 |
0 |
0.010 |
45 |
|
[ACT]B:406 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
16781 |
61.7 |
-1.0 |
0.573 |
0 |
0 |
0 |
0.010 |
| Average: |
64.3 |
-0.4 |
0.705 |
1 |
0 |
0 |
0.010 |
| 29 |
46 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
16772 |
62.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.183 |
47 |
|
D |
9 |
5 |
16785 |
f |
[CL]A:403 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
45.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.183 |
| Average: |
53.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.183 |
| 30 |
48 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
16772 |
61.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.244 |
49 |
|
[NA]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
16785 |
61.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.244 |
50 |
|
[NA]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
16767 |
61.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.244 |
51 |
|
[NA]E:403 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
16764 |
61.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.244 |
52 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
16781 |
61.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.244 |
| Average: |
61.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.244 |
| 31 |
53 |
|
[LMT]C:406 |
9 |
1 |
438 |
◊ |
[LMT]B:405 |
x,y,z |
1_555 |
11 |
1 |
437 |
60.3 |
3.3 |
0.020 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
[LMT]E:405 |
10 |
1 |
440 |
◊ |
[LMT]D:405 |
x,y,z |
1_555 |
11 |
1 |
439 |
58.5 |
2.7 |
0.014 |
0 |
0 |
0 |
0.000 |
55 |
|
[LMT]E:405 |
9 |
1 |
440 |
◊ |
[LMT]A:406 |
x,y,z |
1_555 |
8 |
1 |
437 |
50.3 |
2.6 |
0.029 |
0 |
0 |
0 |
0.000 |
| Average: |
54.4 |
2.7 |
0.022 |
0 |
0 |
0 |
0.000 |
| 33 |
56 |
|
[LMT]B:405 |
11 |
1 |
437 |
◊ |
[LMT]A:406 |
x,y,z |
1_555 |
7 |
1 |
437 |
58.3 |
2.9 |
0.025 |
0 |
0 |
0 |
0.000 |
| 34 |
57 |
|
[LMT]D:405 |
10 |
1 |
439 |
◊ |
[LMT]C:406 |
x,y,z |
1_555 |
7 |
1 |
438 |
53.5 |
2.7 |
0.032 |
0 |
0 |
0 |
0.000 |
| 35 |
58 |
|
[LMT]C:406 |
6 |
1 |
438 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
16785 |
50.4 |
0.8 |
0.108 |
0 |
0 |
0 |
0.000 |
| 36 |
59 |
|
[LMT]A:406 |
9 |
1 |
437 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16781 |
49.5 |
0.8 |
0.063 |
0 |
0 |
0 |
0.000 |
60 |
|
[LMT]D:405 |
8 |
1 |
439 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
16764 |
48.1 |
0.8 |
0.078 |
0 |
0 |
0 |
0.000 |
61 |
|
[LMT]E:405 |
8 |
1 |
440 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16772 |
46.8 |
0.7 |
0.071 |
0 |
0 |
0 |
0.000 |
| Average: |
48.1 |
0.8 |
0.071 |
0 |
0 |
0 |
0.000 |
| 37 |
62 |
|
[LMT]B:405 |
8 |
1 |
437 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16767 |
47.4 |
0.8 |
0.063 |
0 |
0 |
0 |
0.000 |
| 38 |
63 |
|
C |
7 |
3 |
16767 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
16772 |
45.5 |
0.8 |
0.887 |
0 |
0 |
0 |
0.000 |
64 |
|
D |
3 |
1 |
16785 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
16764 |
36.2 |
0.7 |
0.891 |
0 |
0 |
0 |
0.000 |
| Average: |
40.9 |
0.8 |
0.889 |
0 |
0 |
0 |
0.000 |
| 39 |
65 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
16772 |
45.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.142 |
66 |
|
D |
5 |
2 |
16785 |
◊ |
[CL]A:402 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
35.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
40.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.142 |
| 40 |
67 |
|
[LMT]B:405 |
4 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
16772 |
37.5 |
-1.0 |
0.081 |
0 |
0 |
0 |
0.013 |
| 41 |
68 |
|
[LMT]E:405 |
4 |
1 |
440 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
16785 |
36.7 |
-1.0 |
0.089 |
0 |
0 |
0 |
0.013 |
69 |
|
[LMT]A:406 |
3 |
1 |
437 |
f |
E |
x,y,z |
1_555 |
4 |
3 |
16764 |
29.5 |
-0.7 |
0.140 |
0 |
0 |
0 |
0.013 |
| Average: |
33.1 |
-0.8 |
0.114 |
0 |
0 |
0 |
0.013 |
| 42 |
70 |
|
[LMT]D:405 |
4 |
1 |
439 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
16767 |
34.9 |
-0.9 |
0.093 |
0 |
0 |
0 |
0.004 |
| 43 |
71 |
|
[LMT]C:406 |
3 |
1 |
438 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
16781 |
34.9 |
-1.1 |
0.105 |
0 |
0 |
0 |
0.004 |
| 44 |
72 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16767 |
23.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.034 |
73 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16785 |
21.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.034 |
74 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16781 |
20.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.034 |
75 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16772 |
18.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
76 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16764 |
18.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
20.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| 45 |
77 |
|
[LMT]D:401 |
3 |
1 |
433 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
16785 |
20.8 |
-0.6 |
0.081 |
0 |
0 |
0 |
0.009 |
| 46 |
78 |
|
[LMT]D:401 |
2 |
1 |
433 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16764 |
19.0 |
-0.4 |
0.200 |
0 |
0 |
0 |
0.001 |
| 47 |
79 |
|
[LMT]D:401 |
3 |
1 |
433 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16767 |
18.5 |
-0.6 |
0.098 |
0 |
0 |
0 |
0.002 |
| 48 |
80 |
|
[LMT]D:401 |
2 |
1 |
433 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16772 |
15.1 |
-0.2 |
0.160 |
0 |
0 |
0 |
0.000 |
| 49 |
81 |
|
[CL]C:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16781 |
12.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.010 |
82 |
|
[CL]A:401 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
16764 |
9.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
83 |
|
[CL]E:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16785 |
7.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
84 |
|
[CL]D:402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
16767 |
6.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
85 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16772 |
5.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
8.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| 50 |
86 |
|
[LMT]D:401 |
3 |
1 |
433 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16781 |
12.3 |
-0.3 |
0.121 |
0 |
0 |
0 |
0.000 |
|