| ## |
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 |
|
F |
361 |
90 |
19930 |
◊ |
E |
x,y,z |
1_555 |
378 |
95 |
19314 |
3535.1 |
-44.6 |
0.013 |
54 |
4 |
0 |
0.580 |
2 |
|
D |
364 |
89 |
19407 |
◊ |
C |
x,y,z |
1_555 |
367 |
94 |
19457 |
3522.7 |
-45.7 |
0.012 |
50 |
3 |
0 |
0.580 |
3 |
|
B |
365 |
90 |
19593 |
◊ |
A |
x,y,z |
1_555 |
368 |
93 |
19502 |
3506.1 |
-44.9 |
0.018 |
52 |
5 |
0 |
0.580 |
| Average: |
3521.3 |
-45.1 |
0.015 |
52 |
4 |
0 |
0.580 |
| 2 |
4 |
|
A |
61 |
16 |
19502 |
◊ |
E |
x-1,y,z |
1_455 |
65 |
17 |
19314 |
532.6 |
-5.7 |
0.339 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[NAP]B:502 |
42 |
1 |
891 |
f |
B |
x,y,z |
1_555 |
69 |
26 |
19593 |
490.4 |
-2.4 |
0.518 |
18 |
0 |
0 |
0.169 |
6 |
|
[NAP]D:502 |
41 |
1 |
880 |
f |
D |
x,y,z |
1_555 |
70 |
26 |
19407 |
480.6 |
-1.2 |
0.581 |
16 |
0 |
0 |
0.169 |
7 |
|
[NAP]C:502 |
39 |
1 |
878 |
f |
C |
x,y,z |
1_555 |
67 |
26 |
19457 |
479.9 |
-3.9 |
0.391 |
17 |
0 |
0 |
0.169 |
8 |
|
[NAP]F:502 |
40 |
1 |
877 |
f |
F |
x,y,z |
1_555 |
68 |
28 |
19930 |
477.1 |
-2.3 |
0.484 |
18 |
0 |
0 |
0.169 |
9 |
|
[NAP]E:502 |
41 |
1 |
874 |
f |
E |
x,y,z |
1_555 |
67 |
27 |
19314 |
475.6 |
-3.3 |
0.434 |
15 |
0 |
0 |
0.169 |
10 |
|
[NAP]A:502 |
39 |
1 |
881 |
f |
A |
x,y,z |
1_555 |
67 |
27 |
19502 |
474.2 |
-3.0 |
0.452 |
14 |
0 |
0 |
0.169 |
| Average: |
479.7 |
-2.7 |
0.477 |
16 |
0 |
0 |
0.169 |
| 4 |
11 |
|
B |
42 |
14 |
19593 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
32 |
8 |
19314 |
382.8 |
-4.4 |
0.228 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
36 |
8 |
19502 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
48 |
13 |
19930 |
371.5 |
-4.6 |
0.258 |
1 |
0 |
0 |
0.000 |
| Average: |
377.2 |
-4.5 |
0.243 |
1 |
0 |
0 |
0.000 |
| 5 |
13 |
|
D |
33 |
8 |
19407 |
◊ |
E |
-x+1,y-1/2,-z-1/2 |
3_644 |
33 |
8 |
19314 |
305.7 |
-2.9 |
0.406 |
6 |
0 |
0 |
0.000 |
14 |
|
C |
37 |
8 |
19457 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
19502 |
303.7 |
-2.5 |
0.432 |
6 |
0 |
0 |
0.000 |
| Average: |
304.7 |
-2.7 |
0.419 |
6 |
0 |
0 |
0.000 |
| 6 |
15 |
|
C |
35 |
10 |
19457 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
28 |
9 |
19502 |
280.5 |
-0.3 |
0.523 |
4 |
4 |
0 |
0.000 |
| 7 |
16 |
|
C |
30 |
10 |
19457 |
◊ |
D |
-x+2,y-1/2,-z-1/2 |
3_744 |
31 |
10 |
19407 |
263.2 |
-2.8 |
0.381 |
1 |
1 |
0 |
0.000 |
| 8 |
17 |
|
E |
23 |
7 |
19314 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
19407 |
218.7 |
-0.6 |
0.575 |
2 |
1 |
0 |
0.000 |
| 9 |
18 |
|
[NAP]E:502 |
20 |
1 |
874 |
◊ |
F |
x,y,z |
1_555 |
20 |
7 |
19930 |
169.9 |
-0.2 |
0.540 |
3 |
0 |
0 |
0.024 |
19 |
|
[NAP]C:502 |
20 |
1 |
878 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
19407 |
169.2 |
-0.4 |
0.575 |
2 |
0 |
0 |
0.024 |
20 |
|
[NAP]A:502 |
20 |
1 |
881 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
19593 |
166.5 |
0.0 |
0.581 |
2 |
0 |
0 |
0.024 |
21 |
|
[NAP]F:502 |
19 |
1 |
877 |
◊ |
E |
x,y,z |
1_555 |
21 |
7 |
19314 |
163.6 |
0.2 |
0.603 |
3 |
0 |
0 |
0.024 |
22 |
|
[NAP]D:502 |
21 |
1 |
880 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
19457 |
160.6 |
-0.3 |
0.549 |
3 |
0 |
0 |
0.024 |
23 |
|
[NAP]B:502 |
21 |
1 |
891 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
19502 |
156.2 |
0.2 |
0.613 |
1 |
0 |
0 |
0.024 |
| Average: |
164.3 |
-0.1 |
0.577 |
2 |
0 |
0 |
0.024 |
| 10 |
24 |
|
[AKG]C:503 |
10 |
1 |
282 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
19457 |
126.2 |
2.5 |
0.665 |
8 |
0 |
0 |
0.009 |
25 |
|
[AKG]A:503 |
10 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
19502 |
125.1 |
3.3 |
0.669 |
6 |
0 |
0 |
0.009 |
| Average: |
125.6 |
2.9 |
0.667 |
7 |
0 |
0 |
0.009 |
| 11 |
26 |
|
[AKG]E:503 |
10 |
1 |
283 |
f |
E |
x,y,z |
1_555 |
22 |
12 |
19314 |
124.7 |
3.4 |
0.649 |
6 |
0 |
0 |
0.000 |
27 |
|
[AKG]F:503 |
10 |
1 |
284 |
f |
F |
x,y,z |
1_555 |
22 |
11 |
19930 |
123.6 |
3.5 |
0.665 |
7 |
0 |
0 |
0.000 |
28 |
|
[AKG]D:503 |
10 |
1 |
284 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
19407 |
121.7 |
3.9 |
0.690 |
6 |
0 |
0 |
0.000 |
| Average: |
123.3 |
3.6 |
0.668 |
6 |
0 |
0 |
0.000 |
| 12 |
29 |
|
[AKG]B:503 |
10 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
19593 |
123.2 |
2.1 |
0.642 |
8 |
0 |
0 |
0.012 |
| 13 |
30 |
|
C |
13 |
5 |
19457 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
6 |
19593 |
121.1 |
0.3 |
0.708 |
2 |
0 |
0 |
0.000 |
31 |
|
F |
11 |
5 |
19930 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
19407 |
84.3 |
-0.2 |
0.618 |
1 |
0 |
0 |
0.000 |
| Average: |
102.7 |
0.1 |
0.663 |
2 |
0 |
0 |
0.000 |
| 14 |
32 |
|
B |
8 |
3 |
19593 |
◊ |
F |
-x+1,y-1/2,-z-1/2 |
3_644 |
8 |
3 |
19930 |
74.2 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
| 15 |
33 |
|
[AKG]D:503 |
9 |
1 |
284 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
19457 |
68.1 |
-0.6 |
0.340 |
2 |
0 |
0 |
0.012 |
34 |
|
[AKG]E:503 |
8 |
1 |
283 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
19930 |
58.7 |
-0.5 |
0.326 |
1 |
0 |
0 |
0.012 |
| Average: |
63.4 |
-0.6 |
0.333 |
2 |
0 |
0 |
0.012 |
| 16 |
35 |
|
[AKG]A:503 |
9 |
1 |
281 |
f |
[NAP]A:502 |
x,y,z |
1_555 |
10 |
1 |
881 |
63.8 |
-0.8 |
0.276 |
0 |
0 |
0 |
0.007 |
36 |
|
[AKG]C:503 |
10 |
1 |
282 |
f |
[NAP]C:502 |
x,y,z |
1_555 |
11 |
1 |
878 |
62.1 |
-0.7 |
0.298 |
0 |
0 |
0 |
0.007 |
37 |
|
[AKG]E:503 |
10 |
1 |
283 |
f |
[NAP]E:502 |
x,y,z |
1_555 |
10 |
1 |
874 |
61.9 |
-0.8 |
0.264 |
0 |
0 |
0 |
0.007 |
| Average: |
62.6 |
-0.7 |
0.279 |
0 |
0 |
0 |
0.007 |
| 17 |
38 |
|
[AKG]F:503 |
10 |
1 |
284 |
f |
[NAP]F:502 |
x,y,z |
1_555 |
10 |
1 |
877 |
62.9 |
-0.8 |
0.264 |
0 |
0 |
0 |
0.009 |
39 |
|
[AKG]D:503 |
10 |
1 |
284 |
f |
[NAP]D:502 |
x,y,z |
1_555 |
11 |
1 |
880 |
62.8 |
-1.1 |
0.260 |
0 |
0 |
0 |
0.009 |
| Average: |
62.9 |
-1.0 |
0.262 |
0 |
0 |
0 |
0.009 |
| 18 |
40 |
|
[AKG]B:503 |
9 |
1 |
282 |
f |
[NAP]B:502 |
x,y,z |
1_555 |
10 |
1 |
891 |
60.5 |
-1.1 |
0.263 |
0 |
0 |
0 |
0.009 |
| 19 |
41 |
|
[AKG]F:503 |
9 |
1 |
284 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
19314 |
59.8 |
-0.9 |
0.296 |
0 |
0 |
0 |
0.008 |
| 20 |
42 |
|
[AKG]C:503 |
9 |
1 |
282 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
19407 |
59.1 |
-0.9 |
0.310 |
1 |
0 |
0 |
0.011 |
43 |
|
[AKG]A:503 |
7 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
19593 |
56.9 |
-0.8 |
0.318 |
0 |
0 |
0 |
0.011 |
| Average: |
58.0 |
-0.8 |
0.314 |
1 |
0 |
0 |
0.011 |
| 21 |
44 |
|
[AKG]B:503 |
8 |
1 |
282 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
19502 |
57.7 |
-0.4 |
0.374 |
0 |
0 |
0 |
0.003 |
| 22 |
45 |
|
C |
5 |
3 |
19457 |
◊ |
E |
-x+2,y-1/2,-z-1/2 |
3_744 |
7 |
2 |
19314 |
31.6 |
0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
2 |
1 |
19502 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
19407 |
7.6 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
| Average: |
19.6 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 23 |
47 |
|
[CA]C:501 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
19457 |
31.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.107 |
48 |
|
[CA]F:501 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
19930 |
31.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.107 |
49 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
19502 |
30.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.107 |
50 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
19593 |
30.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.107 |
51 |
|
[CA]D:501 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
19407 |
29.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.107 |
52 |
|
[CA]E:501 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
19314 |
29.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
30.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.107 |
| 24 |
53 |
|
C |
4 |
2 |
19457 |
◊ |
F |
-x+2,y-1/2,-z-1/2 |
3_744 |
7 |
4 |
19930 |
29.5 |
0.9 |
0.784 |
0 |
0 |
0 |
0.000 |
54 |
|
B |
2 |
1 |
19593 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
19407 |
10.1 |
0.4 |
0.804 |
0 |
0 |
0 |
0.000 |
| Average: |
19.8 |
0.6 |
0.794 |
0 |
0 |
0 |
0.000 |
| 25 |
55 |
|
[AKG]B:503 |
4 |
1 |
282 |
f |
[CA]B:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.060 |
56 |
|
[AKG]E:503 |
3 |
1 |
283 |
f |
[CA]E:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
57 |
|
[AKG]A:503 |
3 |
1 |
281 |
f |
[CA]A:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
58 |
|
[AKG]D:503 |
4 |
1 |
284 |
f |
[CA]D:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.060 |
59 |
|
[AKG]F:503 |
4 |
1 |
284 |
f |
[CA]F:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.060 |
60 |
|
[AKG]C:503 |
3 |
1 |
282 |
f |
[CA]C:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
20.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.060 |
| 26 |
61 |
|
[CA]A:501 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19593 |
17.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.042 |
62 |
|
[CA]F:501 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
19314 |
17.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.042 |
63 |
|
[CA]D:501 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19457 |
17.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.042 |
64 |
|
[CA]E:501 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
19930 |
17.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.042 |
65 |
|
[CA]C:501 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19407 |
16.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.042 |
66 |
|
[CA]B:501 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19502 |
16.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
17.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.042 |
| 27 |
67 |
|
D |
1 |
1 |
19407 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
19593 |
12.9 |
-0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
68 |
|
C |
1 |
1 |
19457 |
◊ |
F |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
19930 |
3.2 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
| Average: |
8.1 |
-0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
| 28 |
69 |
|
[NAP]A:502 |
2 |
1 |
881 |
f |
[CA]A:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
70 |
|
[NAP]E:502 |
2 |
1 |
874 |
f |
[CA]E:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
71 |
|
[NAP]B:502 |
2 |
1 |
891 |
f |
[CA]B:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
72 |
|
[NAP]C:502 |
2 |
1 |
878 |
f |
[CA]C:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
73 |
|
[NAP]F:502 |
2 |
1 |
877 |
f |
[CA]F:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
74 |
|
[NAP]D:502 |
2 |
1 |
880 |
f |
[CA]D:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
4.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 29 |
75 |
|
D |
1 |
1 |
19407 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19502 |
3.3 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
76 |
|
C |
1 |
1 |
19457 |
◊ |
E |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
19314 |
2.8 |
-0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
| Average: |
3.1 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
| 30 |
77 |
|
D |
1 |
1 |
19407 |
◊ |
F |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
19930 |
3.0 |
-0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
| 31 |
78 |
|
B |
1 |
1 |
19593 |
◊ |
F |
x-1,y-1,z |
1_445 |
1 |
1 |
19930 |
0.2 |
-0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
|