| ## |
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 |
288 |
75 |
21311 |
◊ |
C |
x,y,z |
1_555 |
284 |
75 |
21452 |
2865.7 |
-31.5 |
0.030 |
35 |
5 |
0 |
0.153 |
2 |
|
B |
278 |
74 |
21491 |
◊ |
A |
x,y,z |
1_555 |
279 |
75 |
21136 |
2862.3 |
-31.9 |
0.030 |
37 |
5 |
0 |
0.153 |
| Average: |
2864.0 |
-31.7 |
0.030 |
36 |
5 |
0 |
0.153 |
| 2 |
3 |
|
D |
94 |
27 |
21311 |
◊ |
B |
x,y,z |
1_555 |
94 |
27 |
21491 |
968.9 |
-8.5 |
0.237 |
14 |
0 |
0 |
0.000 |
4 |
|
C |
89 |
27 |
21452 |
◊ |
A |
x,y,z |
1_555 |
90 |
27 |
21136 |
956.6 |
-7.3 |
0.298 |
15 |
1 |
0 |
0.000 |
| Average: |
962.7 |
-7.9 |
0.268 |
15 |
1 |
0 |
0.000 |
| 3 |
5 |
|
D |
75 |
25 |
21311 |
◊ |
C |
x,x-y-1,-z-1/6 |
12_544 |
72 |
24 |
21452 |
668.0 |
-2.7 |
0.525 |
7 |
6 |
0 |
0.002 |
| 4 |
6 |
|
D |
67 |
23 |
21311 |
◊ |
A |
x-y-1,x-1,z-1/6 |
6_444 |
69 |
23 |
21136 |
600.2 |
0.3 |
0.746 |
6 |
2 |
0 |
0.000 |
| 5 |
7 |
|
[ATP]B:603 |
31 |
1 |
586 |
f |
B |
x,y,z |
1_555 |
64 |
32 |
21491 |
382.0 |
-2.0 |
0.597 |
15 |
0 |
0 |
0.055 |
8 |
|
[ATP]C:603 |
31 |
1 |
582 |
f |
C |
x,y,z |
1_555 |
58 |
28 |
21452 |
378.1 |
-1.8 |
0.599 |
17 |
0 |
0 |
0.055 |
9 |
|
[ATP]D:603 |
31 |
1 |
583 |
f |
D |
x,y,z |
1_555 |
58 |
31 |
21311 |
376.7 |
-1.6 |
0.597 |
15 |
0 |
0 |
0.055 |
10 |
|
[ATP]A:603 |
31 |
1 |
581 |
f |
A |
x,y,z |
1_555 |
59 |
29 |
21136 |
374.7 |
-0.9 |
0.632 |
15 |
0 |
0 |
0.055 |
| Average: |
377.9 |
-1.6 |
0.606 |
16 |
0 |
0 |
0.055 |
| 6 |
11 |
|
B |
27 |
10 |
21491 |
◊ |
A |
x-y,x,z-1/6 |
6_554 |
27 |
10 |
21136 |
226.0 |
-0.8 |
0.467 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
B |
11 |
4 |
21491 |
◊ |
C |
x-y,x,z-1/6 |
6_554 |
19 |
7 |
21452 |
127.5 |
-0.4 |
0.580 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
C |
19 |
7 |
21452 |
◊ |
B |
x-1,x-y-1,-z-1/6 |
12_444 |
16 |
6 |
21491 |
126.2 |
0.9 |
0.772 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
D |
9 |
1 |
21311 |
◊ |
C |
x-y,x,z-1/6 |
6_554 |
17 |
3 |
21452 |
107.0 |
-1.4 |
0.164 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
B |
11 |
3 |
21491 |
◊ |
A |
x-y,-y,-z |
8_555 |
13 |
4 |
21136 |
102.3 |
0.9 |
0.752 |
2 |
2 |
0 |
0.000 |
| 11 |
16 |
|
[K]D:604 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
13 |
21311 |
94.5 |
-80.0 |
0.000 |
0 |
0 |
0 |
0.501 |
17 |
|
[K]A:604 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
13 |
21136 |
93.9 |
-78.6 |
0.000 |
0 |
0 |
0 |
0.501 |
18 |
|
[K]B:604 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
13 |
21491 |
93.5 |
-79.1 |
0.000 |
0 |
0 |
0 |
0.501 |
19 |
|
[K]C:604 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
16 |
12 |
21452 |
93.2 |
-80.1 |
0.000 |
0 |
0 |
0 |
0.501 |
| Average: |
93.8 |
-79.5 |
0.000 |
0 |
0 |
0 |
0.501 |
| 12 |
20 |
|
[OXL]B:605 |
6 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
19 |
13 |
21491 |
80.6 |
1.4 |
0.562 |
5 |
0 |
0 |
0.003 |
| 13 |
21 |
|
[OXL]C:605 |
6 |
1 |
200 |
f |
C |
x,y,z |
1_555 |
20 |
14 |
21452 |
80.5 |
1.3 |
0.484 |
6 |
0 |
0 |
0.004 |
| 14 |
22 |
|
[OXL]D:605 |
6 |
1 |
199 |
f |
D |
x,y,z |
1_555 |
18 |
13 |
21311 |
79.3 |
1.3 |
0.490 |
6 |
0 |
0 |
0.004 |
| 15 |
23 |
|
[OXL]A:605 |
6 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
19 |
13 |
21136 |
79.0 |
1.3 |
0.560 |
6 |
0 |
0 |
0.004 |
| 16 |
24 |
|
[K]C:604 |
1 |
1 |
216 |
f |
[ATP]C:603 |
x,y,z |
1_555 |
8 |
1 |
582 |
42.4 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.099 |
25 |
|
[K]B:604 |
1 |
1 |
216 |
f |
[ATP]B:603 |
x,y,z |
1_555 |
7 |
1 |
586 |
42.1 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.099 |
26 |
|
[K]A:604 |
1 |
1 |
216 |
f |
[ATP]A:603 |
x,y,z |
1_555 |
7 |
1 |
581 |
41.8 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.099 |
27 |
|
[K]D:604 |
1 |
1 |
216 |
f |
[ATP]D:603 |
x,y,z |
1_555 |
7 |
1 |
583 |
40.0 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.099 |
| Average: |
41.6 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.099 |
| 17 |
28 |
|
[MG]D:602 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
21311 |
39.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.025 |
29 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
21491 |
38.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.025 |
30 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
21136 |
37.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.025 |
31 |
|
[MG]C:602 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
21452 |
37.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
38.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.025 |
| 18 |
32 |
|
[OXL]D:605 |
5 |
1 |
199 |
f |
[ATP]D:603 |
x,y,z |
1_555 |
5 |
1 |
583 |
37.0 |
1.1 |
0.359 |
0 |
0 |
0 |
0.000 |
33 |
|
[OXL]C:605 |
5 |
1 |
200 |
f |
[ATP]C:603 |
x,y,z |
1_555 |
6 |
1 |
582 |
35.4 |
0.9 |
0.355 |
0 |
0 |
0 |
0.000 |
| Average: |
36.2 |
1.0 |
0.357 |
0 |
0 |
0 |
0.000 |
| 19 |
34 |
|
[OXL]B:605 |
5 |
1 |
198 |
f |
[ATP]B:603 |
x,y,z |
1_555 |
5 |
1 |
586 |
36.5 |
0.6 |
0.351 |
0 |
0 |
0 |
0.000 |
35 |
|
[OXL]A:605 |
5 |
1 |
198 |
f |
[ATP]A:603 |
x,y,z |
1_555 |
5 |
1 |
581 |
35.4 |
0.7 |
0.347 |
0 |
0 |
0 |
0.000 |
| Average: |
36.0 |
0.6 |
0.349 |
0 |
0 |
0 |
0.000 |
| 20 |
36 |
|
C |
5 |
1 |
21452 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
4 |
1 |
21136 |
32.2 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
| 21 |
37 |
|
[ATP]B:603 |
5 |
1 |
586 |
f |
[MG]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.030 |
38 |
|
[ATP]C:603 |
6 |
1 |
582 |
f |
[MG]C:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.030 |
39 |
|
[ATP]D:603 |
5 |
1 |
583 |
f |
[MG]D:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.030 |
40 |
|
[ATP]A:603 |
4 |
1 |
581 |
f |
[MG]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
31.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| 22 |
41 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
10 |
21311 |
31.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.026 |
42 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
21491 |
30.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
43 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
21136 |
30.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.026 |
44 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
21452 |
28.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
30.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.026 |
| 23 |
45 |
|
[OXL]C:605 |
4 |
1 |
200 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.015 |
46 |
|
[OXL]D:605 |
4 |
1 |
199 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
23.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| 24 |
47 |
|
[ATP]C:603 |
4 |
1 |
582 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.010 |
48 |
|
[ATP]D:603 |
3 |
1 |
583 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.010 |
49 |
|
[ATP]B:603 |
3 |
1 |
586 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.010 |
50 |
|
[ATP]A:603 |
3 |
1 |
581 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
22.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| 25 |
51 |
|
[OXL]A:605 |
4 |
1 |
198 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.017 |
52 |
|
[OXL]B:605 |
3 |
1 |
198 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
22.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 26 |
53 |
|
[OXL]A:605 |
4 |
1 |
198 |
f |
[MG]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
54 |
|
[OXL]B:605 |
4 |
1 |
198 |
f |
[MG]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
14.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 27 |
55 |
|
[OXL]A:605 |
1 |
1 |
198 |
f |
[K]A:604 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.044 |
56 |
|
[OXL]B:605 |
2 |
1 |
198 |
f |
[K]B:604 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
13.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.044 |
| 28 |
57 |
|
[OXL]C:605 |
4 |
1 |
200 |
f |
[MG]C:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
58 |
|
[OXL]D:605 |
4 |
1 |
199 |
f |
[MG]D:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
13.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 29 |
59 |
|
C |
2 |
2 |
21452 |
◊ |
C |
x,x-y-1,-z-1/6 |
12_544 |
2 |
2 |
21452 |
13.4 |
0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
| 30 |
60 |
|
[OXL]D:605 |
1 |
1 |
199 |
f |
[K]D:604 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.040 |
61 |
|
[OXL]C:605 |
2 |
1 |
200 |
f |
[K]C:604 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
13.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.040 |
| 31 |
62 |
|
[K]B:604 |
1 |
1 |
216 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.022 |
| 32 |
63 |
|
[K]A:604 |
1 |
1 |
216 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.022 |
| 33 |
64 |
|
[K]D:604 |
1 |
1 |
216 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| 34 |
65 |
|
[K]C:604 |
1 |
1 |
216 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.018 |
| 35 |
66 |
|
[MG]C:602 |
1 |
1 |
98 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 36 |
67 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
| 37 |
68 |
|
B |
2 |
1 |
21491 |
◊ |
B |
x-y,-y,-z |
8_555 |
2 |
1 |
21491 |
1.1 |
0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
| 38 |
69 |
|
[MG]D:602 |
1 |
1 |
98 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
70 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|