| ## |
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 |
|
H |
83 |
24 |
7653 |
◊ |
D |
x,y,z |
1_555 |
82 |
22 |
16786 |
802.3 |
-13.1 |
0.040 |
6 |
2 |
0 |
0.280 |
2 |
|
F |
83 |
23 |
7701 |
◊ |
B |
x,y,z |
1_555 |
77 |
23 |
16639 |
787.6 |
-11.6 |
0.065 |
5 |
3 |
0 |
0.280 |
3 |
|
G |
84 |
25 |
7712 |
◊ |
C |
x,y,z |
1_555 |
84 |
24 |
16805 |
786.0 |
-13.0 |
0.045 |
5 |
4 |
0 |
0.280 |
4 |
|
E |
89 |
25 |
7650 |
◊ |
A |
x,y,z |
1_555 |
77 |
22 |
16757 |
782.0 |
-11.3 |
0.077 |
7 |
3 |
0 |
0.280 |
| Average: |
789.5 |
-12.2 |
0.057 |
6 |
3 |
0 |
0.280 |
| 2 |
5 |
|
B |
73 |
23 |
16639 |
◊ |
A |
x,y,z |
1_555 |
74 |
22 |
16757 |
609.8 |
4.9 |
0.950 |
5 |
0 |
0 |
0.000 |
6 |
|
D |
69 |
22 |
16786 |
◊ |
C |
x,y,z |
1_555 |
71 |
20 |
16805 |
609.3 |
4.9 |
0.949 |
5 |
1 |
0 |
0.000 |
| Average: |
609.6 |
4.9 |
0.949 |
5 |
1 |
0 |
0.000 |
| 3 |
7 |
|
G |
64 |
18 |
7712 |
◊ |
E |
x,y,z |
1_555 |
61 |
18 |
7650 |
574.5 |
-0.9 |
0.665 |
11 |
2 |
0 |
0.040 |
8 |
|
H |
63 |
18 |
7653 |
◊ |
F |
x,y,z |
1_555 |
61 |
18 |
7701 |
548.6 |
0.5 |
0.759 |
11 |
2 |
0 |
0.040 |
| Average: |
561.5 |
-0.2 |
0.712 |
11 |
2 |
0 |
0.040 |
| 4 |
9 |
|
A |
69 |
19 |
16757 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
59 |
20 |
16805 |
541.7 |
-1.1 |
0.487 |
5 |
7 |
0 |
0.000 |
10 |
|
D |
56 |
19 |
16786 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
69 |
19 |
16639 |
522.6 |
-1.7 |
0.431 |
4 |
6 |
0 |
0.000 |
| Average: |
532.1 |
-1.4 |
0.459 |
5 |
7 |
0 |
0.000 |
| 5 |
11 |
|
A |
43 |
13 |
16757 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
36 |
14 |
16786 |
349.2 |
2.4 |
0.869 |
5 |
3 |
0 |
0.000 |
12 |
|
C |
37 |
15 |
16805 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
45 |
15 |
16639 |
348.9 |
2.0 |
0.854 |
4 |
2 |
0 |
0.000 |
| Average: |
349.1 |
2.2 |
0.861 |
5 |
3 |
0 |
0.000 |
| 6 |
13 |
|
E |
34 |
11 |
7650 |
◊ |
B |
x,y,z |
1_555 |
37 |
14 |
16639 |
306.8 |
-3.2 |
0.357 |
3 |
0 |
0 |
0.075 |
14 |
|
H |
34 |
11 |
7653 |
◊ |
C |
x,y,z |
1_555 |
35 |
12 |
16805 |
306.7 |
-3.4 |
0.336 |
4 |
0 |
0 |
0.075 |
15 |
|
G |
32 |
9 |
7712 |
◊ |
D |
x,y,z |
1_555 |
32 |
12 |
16786 |
291.1 |
-3.2 |
0.327 |
3 |
0 |
0 |
0.075 |
16 |
|
F |
36 |
10 |
7701 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
16757 |
279.4 |
-3.8 |
0.277 |
1 |
0 |
0 |
0.075 |
| Average: |
296.0 |
-3.4 |
0.325 |
3 |
0 |
0 |
0.075 |
| 7 |
17 |
|
D |
44 |
16 |
16786 |
◊ |
B |
x,y,z-1 |
1_554 |
35 |
12 |
16639 |
291.5 |
-1.0 |
0.617 |
2 |
2 |
0 |
0.000 |
| 8 |
18 |
|
D |
34 |
12 |
16786 |
◊ |
A |
x,y,z-1 |
1_554 |
29 |
9 |
16757 |
262.3 |
-1.0 |
0.550 |
3 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[0TR]A:410 |
9 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
37 |
14 |
16757 |
179.5 |
-4.2 |
0.270 |
0 |
0 |
0 |
0.078 |
| 10 |
20 |
|
[0TR]B:410 |
9 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
33 |
14 |
16639 |
169.8 |
-5.5 |
0.070 |
1 |
0 |
0 |
0.110 |
| 11 |
21 |
|
[0TR]C:410 |
9 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
37 |
14 |
16805 |
161.1 |
-5.6 |
0.079 |
1 |
0 |
0 |
0.106 |
| 12 |
22 |
|
A |
21 |
7 |
16757 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
17 |
5 |
16639 |
160.3 |
-1.2 |
0.469 |
6 |
0 |
0 |
0.000 |
| 13 |
23 |
|
[0TR]D:410 |
9 |
1 |
262 |
f |
D |
x,y,z |
1_555 |
35 |
15 |
16786 |
156.3 |
-6.2 |
0.033 |
0 |
0 |
0 |
0.107 |
| 14 |
24 |
|
E |
16 |
6 |
7650 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
16805 |
145.3 |
-1.2 |
0.426 |
2 |
0 |
0 |
0.030 |
25 |
|
H |
16 |
6 |
7653 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
16639 |
142.4 |
-1.4 |
0.394 |
2 |
0 |
0 |
0.030 |
26 |
|
F |
16 |
6 |
7701 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
16786 |
134.5 |
-0.9 |
0.483 |
2 |
0 |
0 |
0.030 |
27 |
|
G |
16 |
6 |
7712 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
16757 |
129.6 |
-1.2 |
0.438 |
2 |
0 |
0 |
0.030 |
| Average: |
138.0 |
-1.2 |
0.435 |
2 |
0 |
0 |
0.030 |
| 15 |
28 |
|
[HO]A:402 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16757 |
97.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.111 |
29 |
|
[HO]C:402 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
16805 |
95.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.111 |
30 |
|
[HO]B:402 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
16639 |
94.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.111 |
31 |
|
[HO]D:402 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
16786 |
94.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.111 |
| Average: |
95.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.111 |
| 16 |
32 |
|
C |
11 |
6 |
16805 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
6 |
16786 |
95.6 |
1.0 |
0.808 |
1 |
0 |
0 |
0.000 |
| 17 |
33 |
|
[HO]D:402 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
16805 |
83.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.060 |
34 |
|
[HO]C:402 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
16786 |
81.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.060 |
35 |
|
[HO]B:402 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
16757 |
80.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.060 |
36 |
|
[HO]A:402 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
16639 |
78.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
80.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.060 |
| 18 |
37 |
|
A |
14 |
4 |
16757 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
9 |
4 |
7650 |
72.5 |
-0.1 |
0.611 |
1 |
0 |
0 |
0.000 |
38 |
|
F |
10 |
4 |
7701 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
10 |
3 |
16639 |
70.5 |
0.1 |
0.650 |
1 |
0 |
0 |
0.000 |
| Average: |
71.5 |
0.0 |
0.630 |
1 |
0 |
0 |
0.000 |
| 19 |
39 |
|
[CU]A:400 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
16757 |
51.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.218 |
40 |
|
[CU]B:400 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
16639 |
49.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.218 |
41 |
|
[CU]C:400 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
16805 |
48.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.218 |
42 |
|
[CU]D:400 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
16786 |
47.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.218 |
| Average: |
49.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.218 |
| 20 |
43 |
|
[CU]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
16757 |
49.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.215 |
44 |
|
[CU]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16639 |
46.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.215 |
45 |
|
[CU]C:401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
16805 |
46.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.215 |
46 |
|
[CU]D:401 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
16786 |
45.5 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.215 |
| Average: |
47.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.215 |
| 21 |
47 |
|
[0TR]D:410 |
5 |
1 |
262 |
f |
[CU]D:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.048 |
48 |
|
[0TR]B:410 |
5 |
1 |
264 |
f |
[CU]B:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
26.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.048 |
| 22 |
49 |
|
[0TR]C:410 |
5 |
1 |
262 |
f |
[CU]C:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.047 |
50 |
|
[0TR]A:410 |
4 |
1 |
264 |
f |
[CU]A:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.047 |
| Average: |
23.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.047 |
| 23 |
51 |
|
[0TR]C:410 |
2 |
1 |
262 |
f |
[CU]C:400 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.030 |
52 |
|
[0TR]A:410 |
1 |
1 |
264 |
f |
[CU]A:400 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
17.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.030 |
| 24 |
53 |
|
[0TR]D:410 |
4 |
1 |
262 |
f |
[CU]D:400 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
54 |
|
[0TR]B:410 |
1 |
1 |
264 |
f |
[CU]B:400 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
18.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.032 |
| 25 |
55 |
|
H |
4 |
3 |
7653 |
◊ |
G |
x,y,z |
1_555 |
6 |
5 |
7712 |
17.7 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.001 |
56 |
|
F |
5 |
4 |
7701 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
7650 |
10.4 |
-0.3 |
0.478 |
0 |
0 |
0 |
0.001 |
| Average: |
14.0 |
-0.2 |
0.517 |
0 |
0 |
0 |
0.001 |
| 26 |
57 |
|
[CU]B:401 |
1 |
1 |
125 |
f |
[CU]B:400 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.061 |
| 27 |
58 |
|
[CU]D:401 |
1 |
1 |
125 |
f |
[CU]D:400 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.052 |
| 28 |
59 |
|
[CU]A:401 |
1 |
1 |
125 |
f |
[CU]A:400 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.055 |
| 29 |
60 |
|
[CU]C:401 |
1 |
1 |
125 |
f |
[CU]C:400 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.049 |
| 30 |
61 |
|
H |
2 |
1 |
7653 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
7650 |
8.8 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
|