| ## |
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 |
189 |
50 |
15103 |
◊ |
B |
x,y,z |
1_555 |
186 |
49 |
15883 |
1808.3 |
-16.7 |
0.123 |
17 |
8 |
0 |
0.981 |
2 |
|
H |
188 |
49 |
15945 |
◊ |
F |
x,y,z |
1_555 |
190 |
51 |
15096 |
1798.9 |
-16.3 |
0.136 |
19 |
8 |
0 |
0.981 |
| Average: |
1803.6 |
-16.5 |
0.129 |
18 |
8 |
0 |
0.981 |
| 2 |
3 |
|
B |
138 |
38 |
15883 |
◊ |
A |
x,y,z |
1_555 |
140 |
43 |
10876 |
1367.6 |
-4.8 |
0.548 |
23 |
10 |
0 |
1.000 |
4 |
|
H |
147 |
38 |
15945 |
◊ |
G |
x,y,z |
1_555 |
142 |
41 |
10710 |
1366.9 |
-6.1 |
0.506 |
22 |
12 |
0 |
1.000 |
5 |
|
D |
134 |
36 |
15103 |
◊ |
C |
x,y,z |
1_555 |
130 |
37 |
11100 |
1306.3 |
-7.1 |
0.373 |
28 |
12 |
0 |
1.000 |
6 |
|
F |
131 |
36 |
15096 |
◊ |
E |
x,y,z |
1_555 |
130 |
41 |
10994 |
1290.6 |
-6.3 |
0.416 |
29 |
11 |
0 |
1.000 |
| Average: |
1332.8 |
-6.1 |
0.460 |
26 |
11 |
0 |
1.000 |
| 3 |
7 |
|
H |
65 |
22 |
15945 |
◊ |
B |
x,y,z |
1_555 |
64 |
21 |
15883 |
528.1 |
-9.5 |
0.072 |
0 |
0 |
0 |
0.000 |
| 4 |
8 |
|
F |
43 |
12 |
15096 |
◊ |
D |
x,y,z |
1_555 |
42 |
12 |
15103 |
365.6 |
3.6 |
0.903 |
3 |
4 |
0 |
0.000 |
| 5 |
9 |
|
F |
37 |
14 |
15096 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
33 |
10 |
15883 |
346.8 |
1.7 |
0.721 |
6 |
7 |
0 |
0.000 |
10 |
|
H |
27 |
9 |
15945 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
38 |
14 |
15103 |
336.2 |
0.7 |
0.669 |
3 |
6 |
0 |
0.000 |
| Average: |
341.5 |
1.2 |
0.695 |
5 |
7 |
0 |
0.000 |
| 6 |
11 |
|
H |
39 |
11 |
15945 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
40 |
11 |
15883 |
342.9 |
-1.6 |
0.533 |
4 |
0 |
0 |
0.000 |
| 7 |
12 |
|
G |
29 |
9 |
10710 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
12 |
10876 |
317.8 |
-1.5 |
0.485 |
2 |
0 |
0 |
0.000 |
| 8 |
13 |
|
F |
39 |
14 |
15096 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
33 |
11 |
10876 |
306.6 |
0.9 |
0.649 |
3 |
0 |
0 |
0.000 |
| 9 |
14 |
|
C |
34 |
9 |
11100 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
10 |
10710 |
266.3 |
1.7 |
0.798 |
6 |
5 |
0 |
0.000 |
| 10 |
15 |
|
F |
25 |
8 |
15096 |
◊ |
B |
x,y,z |
1_555 |
25 |
7 |
15883 |
224.0 |
-1.7 |
0.210 |
1 |
0 |
0 |
0.000 |
16 |
|
H |
24 |
7 |
15945 |
◊ |
D |
x,y,z |
1_555 |
24 |
8 |
15103 |
219.8 |
-1.6 |
0.210 |
1 |
0 |
0 |
0.000 |
| Average: |
221.9 |
-1.6 |
0.210 |
1 |
0 |
0 |
0.000 |
| 11 |
17 |
|
B |
22 |
7 |
15883 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
6 |
11100 |
185.8 |
-1.7 |
0.389 |
1 |
0 |
0 |
0.000 |
18 |
|
E |
7 |
3 |
10994 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
5 |
15945 |
82.1 |
0.1 |
0.588 |
1 |
0 |
0 |
0.000 |
| Average: |
134.0 |
-0.8 |
0.488 |
1 |
0 |
0 |
0.000 |
| 12 |
19 |
|
H |
24 |
9 |
15945 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
6 |
11100 |
173.1 |
-0.3 |
0.565 |
4 |
1 |
0 |
0.000 |
20 |
|
E |
12 |
6 |
10994 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
20 |
6 |
15883 |
156.5 |
0.0 |
0.571 |
2 |
0 |
0 |
0.000 |
| Average: |
164.8 |
-0.1 |
0.568 |
3 |
1 |
0 |
0.000 |
| 13 |
21 |
|
[MLI]F:501 |
7 |
1 |
225 |
f |
F |
x,y,z |
1_555 |
22 |
11 |
15096 |
152.7 |
2.7 |
0.307 |
6 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[MLI]D:501 |
7 |
1 |
225 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
15103 |
151.7 |
3.0 |
0.413 |
5 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[MLI]H:501 |
7 |
1 |
225 |
f |
H |
x,y,z |
1_555 |
23 |
12 |
15945 |
146.4 |
2.6 |
0.346 |
5 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[MLI]B:501 |
7 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
15883 |
143.4 |
2.5 |
0.263 |
4 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[MLI]E:301 |
7 |
1 |
224 |
f |
E |
x,y,z |
1_555 |
25 |
13 |
10994 |
140.4 |
3.3 |
0.442 |
4 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[MLI]A:301 |
7 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
26 |
14 |
10876 |
138.2 |
3.0 |
0.183 |
6 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[MLI]C:301 |
7 |
1 |
225 |
f |
C |
x,y,z |
1_555 |
25 |
13 |
11100 |
136.6 |
3.2 |
0.182 |
4 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[MLI]G:301 |
7 |
1 |
225 |
f |
G |
x,y,z |
1_555 |
25 |
13 |
10710 |
135.8 |
3.0 |
0.222 |
5 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[FMT]H:504 |
3 |
1 |
150 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
15945 |
98.6 |
0.1 |
0.425 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[FMT]B:503 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15883 |
97.9 |
0.6 |
0.736 |
1 |
0 |
0 |
0.000 |
| 23 |
31 |
|
F |
10 |
4 |
15096 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
4 |
15103 |
95.8 |
0.3 |
0.682 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
E |
8 |
3 |
10994 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
11 |
4 |
10876 |
95.7 |
2.5 |
0.843 |
3 |
5 |
0 |
0.000 |
| 25 |
33 |
|
[FMT]F:502 |
3 |
1 |
150 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
15096 |
86.9 |
0.2 |
0.418 |
1 |
0 |
0 |
0.034 |
| 26 |
34 |
|
[FMT]B:502 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
15883 |
86.6 |
-0.0 |
0.439 |
2 |
0 |
0 |
0.113 |
| 27 |
35 |
|
[FMT]H:502 |
3 |
1 |
149 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
15945 |
85.1 |
-0.2 |
0.412 |
1 |
0 |
0 |
0.044 |
| 28 |
36 |
|
[FMT]D:502 |
3 |
1 |
150 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
15103 |
84.6 |
0.2 |
0.601 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[FMT]C:302 |
3 |
1 |
150 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
11100 |
83.9 |
-0.3 |
0.564 |
1 |
0 |
0 |
0.037 |
| 30 |
38 |
|
[FMT]D:503 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
15103 |
83.8 |
-0.3 |
0.404 |
0 |
0 |
0 |
0.013 |
| 31 |
39 |
|
[FMT]E:303 |
3 |
1 |
150 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
10994 |
83.5 |
-0.4 |
0.333 |
1 |
0 |
0 |
0.042 |
| 32 |
40 |
|
[FMT]D:504 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
15103 |
83.5 |
0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
[FMT]G:302 |
3 |
1 |
150 |
f |
G |
x,y,z |
1_555 |
14 |
8 |
10710 |
82.9 |
-0.5 |
0.331 |
1 |
0 |
0 |
0.051 |
| 34 |
42 |
|
[FMT]A:302 |
3 |
1 |
151 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
10876 |
82.3 |
-0.4 |
0.332 |
1 |
0 |
0 |
0.051 |
| 35 |
43 |
|
[FMT]G:303 |
3 |
1 |
149 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
15945 |
76.1 |
-0.3 |
0.385 |
0 |
0 |
0 |
0.021 |
| 36 |
44 |
|
[FMT]B:504 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
15883 |
70.7 |
-0.4 |
0.389 |
1 |
0 |
0 |
0.102 |
| 37 |
45 |
|
[FMT]H:505 |
3 |
1 |
150 |
f |
H |
x,y,z |
1_555 |
13 |
4 |
15945 |
70.6 |
-0.9 |
0.350 |
0 |
0 |
0 |
0.063 |
| 38 |
46 |
|
[FMT]H:503 |
3 |
1 |
151 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
5 |
15883 |
69.7 |
0.0 |
0.415 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
[FMT]E:302 |
3 |
1 |
150 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
15096 |
66.8 |
-0.6 |
0.387 |
0 |
0 |
0 |
0.077 |
| 40 |
48 |
|
[FMT]D:505 |
3 |
1 |
151 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
15103 |
66.3 |
0.2 |
0.644 |
0 |
0 |
0 |
0.000 |
| 41 |
49 |
|
[FMT]F:503 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
15103 |
66.3 |
0.5 |
0.663 |
1 |
0 |
0 |
0.000 |
| 42 |
50 |
|
[FMT]D:506 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15103 |
64.7 |
0.1 |
0.584 |
1 |
0 |
0 |
0.019 |
| 43 |
51 |
|
H |
7 |
3 |
15945 |
◊ |
[FMT]D:506 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
150 |
62.3 |
0.1 |
0.466 |
1 |
0 |
0 |
0.000 |
| 44 |
52 |
|
[FMT]H:503 |
2 |
1 |
151 |
f |
H |
x,y,z |
1_555 |
10 |
2 |
15945 |
44.1 |
-0.1 |
0.582 |
0 |
0 |
0 |
0.010 |
| 45 |
53 |
|
[FMT]D:505 |
2 |
1 |
151 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
11100 |
41.0 |
-0.2 |
0.523 |
0 |
0 |
0 |
0.008 |
| 46 |
54 |
|
[FMT]G:303 |
2 |
1 |
149 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
10710 |
36.1 |
0.2 |
0.586 |
1 |
0 |
0 |
0.013 |
| 47 |
55 |
|
[FMT]B:504 |
3 |
1 |
150 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10876 |
35.4 |
0.4 |
0.672 |
1 |
0 |
0 |
0.004 |
| 48 |
56 |
|
[FMT]F:503 |
2 |
1 |
150 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
15096 |
34.1 |
0.9 |
0.728 |
1 |
0 |
0 |
0.000 |
| 49 |
57 |
|
[FMT]E:302 |
3 |
1 |
150 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
10994 |
33.2 |
0.4 |
0.652 |
1 |
0 |
0 |
0.003 |
| 50 |
58 |
|
[FMT]G:302 |
3 |
1 |
150 |
f |
[MLI]G:301 |
x,y,z |
1_555 |
4 |
1 |
225 |
32.5 |
0.8 |
0.509 |
0 |
0 |
0 |
0.000 |
| 51 |
59 |
|
D |
3 |
1 |
15103 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
10710 |
32.4 |
0.5 |
0.788 |
0 |
0 |
0 |
0.000 |
| 52 |
60 |
|
[FMT]E:303 |
3 |
1 |
150 |
f |
[MLI]E:301 |
x,y,z |
1_555 |
5 |
1 |
224 |
32.0 |
0.4 |
0.509 |
0 |
0 |
0 |
0.000 |
| 53 |
61 |
|
[FMT]A:302 |
3 |
1 |
151 |
f |
[MLI]A:301 |
x,y,z |
1_555 |
3 |
1 |
222 |
31.4 |
0.7 |
0.509 |
0 |
0 |
0 |
0.000 |
| 54 |
62 |
|
[FMT]C:302 |
3 |
1 |
150 |
f |
[MLI]C:301 |
x,y,z |
1_555 |
5 |
1 |
225 |
29.9 |
0.4 |
0.509 |
0 |
0 |
0 |
0.000 |
| 55 |
63 |
|
[FMT]H:505 |
2 |
1 |
150 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
15103 |
25.0 |
1.1 |
0.740 |
1 |
0 |
0 |
0.000 |
| 56 |
64 |
|
[FMT]H:505 |
2 |
1 |
150 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
2 |
15883 |
21.8 |
-0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
| 57 |
65 |
|
[FMT]H:505 |
1 |
1 |
150 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
15096 |
19.1 |
-0.0 |
0.321 |
0 |
0 |
0 |
0.000 |
| 58 |
66 |
|
[FMT]D:502 |
1 |
1 |
150 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
11100 |
6.1 |
-0.2 |
0.375 |
0 |
0 |
0 |
0.010 |
| 59 |
67 |
|
E |
1 |
1 |
10994 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
11100 |
3.3 |
-0.1 |
0.355 |
0 |
0 |
0 |
0.000 |
| 60 |
68 |
|
C |
1 |
1 |
11100 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
10994 |
1.7 |
0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
|