| ## |
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 |
|
C |
158 |
44 |
19227 |
◊ |
B |
x,y,z |
1_555 |
182 |
49 |
18703 |
1613.5 |
-5.3 |
0.409 |
24 |
17 |
0 |
0.121 |
2 |
|
D |
162 |
45 |
19117 |
◊ |
A |
x,y,z |
1_555 |
181 |
49 |
18488 |
1584.2 |
-8.8 |
0.275 |
21 |
16 |
0 |
0.121 |
| Average: |
1598.9 |
-7.0 |
0.342 |
23 |
17 |
0 |
0.121 |
| 2 |
3 |
|
E |
166 |
47 |
18828 |
◊ |
B |
x,y,z |
1_555 |
146 |
45 |
18703 |
1521.0 |
-5.6 |
0.391 |
19 |
13 |
0 |
0.115 |
4 |
|
F |
156 |
43 |
19275 |
◊ |
A |
x,y,z |
1_555 |
144 |
41 |
18488 |
1445.8 |
-7.6 |
0.294 |
22 |
14 |
0 |
0.115 |
| Average: |
1483.4 |
-6.6 |
0.342 |
21 |
14 |
0 |
0.115 |
| 3 |
5 |
|
D |
159 |
42 |
19117 |
◊ |
E |
x,y,z |
1_555 |
153 |
43 |
18828 |
1458.9 |
-7.5 |
0.263 |
21 |
14 |
0 |
0.195 |
6 |
|
C |
153 |
43 |
19227 |
◊ |
F |
x,y,z |
1_555 |
147 |
44 |
19275 |
1450.2 |
-5.3 |
0.397 |
22 |
12 |
0 |
0.195 |
| Average: |
1454.5 |
-6.4 |
0.330 |
22 |
13 |
0 |
0.195 |
| 4 |
7 |
|
[ATP]C:501 |
29 |
1 |
624 |
f |
C |
x,y,z |
1_555 |
64 |
25 |
19227 |
436.5 |
-3.1 |
0.508 |
12 |
0 |
0 |
0.113 |
8 |
|
[ATP]D:501 |
30 |
1 |
617 |
f |
D |
x,y,z |
1_555 |
58 |
22 |
19117 |
425.1 |
-4.7 |
0.346 |
14 |
0 |
0 |
0.113 |
| Average: |
430.8 |
-3.9 |
0.427 |
13 |
0 |
0 |
0.113 |
| 5 |
9 |
|
D |
42 |
14 |
19117 |
◊ |
E |
-x+1,y,-z |
2_655 |
50 |
16 |
18828 |
421.1 |
-3.9 |
0.251 |
1 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[ATP]F:501 |
31 |
1 |
619 |
f |
F |
x,y,z |
1_555 |
56 |
23 |
19275 |
403.8 |
-3.2 |
0.479 |
17 |
0 |
0 |
0.126 |
11 |
|
[ATP]E:501 |
31 |
1 |
624 |
f |
E |
x,y,z |
1_555 |
60 |
25 |
18828 |
403.2 |
-3.1 |
0.481 |
16 |
0 |
0 |
0.126 |
12 |
|
[ATP]B:501 |
31 |
1 |
620 |
f |
B |
x,y,z |
1_555 |
57 |
23 |
18703 |
401.5 |
-2.5 |
0.507 |
17 |
0 |
0 |
0.126 |
13 |
|
[ATP]A:501 |
31 |
1 |
617 |
f |
A |
x,y,z |
1_555 |
60 |
24 |
18488 |
397.9 |
-2.7 |
0.494 |
17 |
0 |
0 |
0.126 |
| Average: |
401.6 |
-2.9 |
0.490 |
17 |
0 |
0 |
0.126 |
| 7 |
14 |
|
C |
43 |
10 |
19227 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
40 |
14 |
18703 |
376.8 |
-2.3 |
0.308 |
5 |
0 |
0 |
0.000 |
15 |
|
A |
34 |
12 |
18488 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
42 |
9 |
19117 |
360.3 |
-2.1 |
0.313 |
5 |
0 |
0 |
0.000 |
| Average: |
368.6 |
-2.2 |
0.311 |
5 |
0 |
0 |
0.000 |
| 8 |
16 |
|
C |
34 |
11 |
19227 |
◊ |
C |
-x+1,y,-z |
2_655 |
34 |
11 |
19227 |
311.7 |
-1.1 |
0.487 |
0 |
0 |
0 |
0.000 |
| 9 |
17 |
|
B |
39 |
12 |
18703 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
31 |
11 |
18828 |
307.4 |
3.6 |
0.872 |
3 |
1 |
0 |
0.000 |
18 |
|
F |
28 |
9 |
19275 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
39 |
12 |
18488 |
269.9 |
2.0 |
0.789 |
5 |
2 |
0 |
0.000 |
| Average: |
288.7 |
2.8 |
0.831 |
4 |
2 |
0 |
0.000 |
| 10 |
19 |
|
C |
29 |
8 |
19227 |
◊ |
E |
x,y-1,z |
1_545 |
30 |
16 |
18828 |
307.3 |
-2.6 |
0.236 |
0 |
0 |
0 |
0.000 |
20 |
|
F |
30 |
17 |
19275 |
◊ |
D |
x,y-1,z |
1_545 |
28 |
9 |
19117 |
293.3 |
-1.4 |
0.333 |
2 |
0 |
0 |
0.000 |
| Average: |
300.3 |
-2.0 |
0.285 |
1 |
0 |
0 |
0.000 |
| 11 |
21 |
|
B |
15 |
6 |
18703 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
15 |
6 |
19275 |
146.6 |
-0.2 |
0.440 |
0 |
0 |
0 |
0.000 |
| 12 |
22 |
|
C |
17 |
7 |
19227 |
◊ |
F |
-x+1,y,-z |
2_655 |
14 |
4 |
19275 |
135.6 |
1.8 |
0.609 |
1 |
0 |
0 |
0.000 |
| 13 |
23 |
|
F |
8 |
2 |
19275 |
◊ |
E |
x,y-1,z |
1_545 |
9 |
2 |
18828 |
92.9 |
1.0 |
0.780 |
2 |
0 |
0 |
0.000 |
| 14 |
24 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
18703 |
72.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.136 |
25 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
18488 |
71.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.136 |
26 |
|
[CL]F:504 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
19275 |
70.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.136 |
27 |
|
[CL]E:504 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
18828 |
69.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.136 |
| Average: |
70.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.136 |
| 15 |
28 |
|
[CL]D:506 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
19117 |
72.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.117 |
29 |
|
[CL]C:506 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
19227 |
71.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
72.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.117 |
| 16 |
30 |
|
F |
7 |
3 |
19275 |
◊ |
B |
-x+1,y,-z |
2_655 |
8 |
2 |
18703 |
71.0 |
0.6 |
0.723 |
0 |
0 |
0 |
0.000 |
| 17 |
31 |
|
B |
9 |
2 |
18703 |
◊ |
A |
-x+1,y,-z |
2_655 |
8 |
2 |
18488 |
64.1 |
0.4 |
0.666 |
0 |
0 |
0 |
0.000 |
| 18 |
32 |
|
[CL]C:505 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
19227 |
60.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.092 |
33 |
|
[CL]D:505 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
19117 |
58.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
59.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.092 |
| 19 |
34 |
|
[CL]D:504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
19117 |
51.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.075 |
35 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
19227 |
51.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.075 |
| Average: |
51.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.075 |
| 20 |
36 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
18703 |
50.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.043 |
37 |
|
[CL]A:505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
18488 |
50.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
50.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.043 |
| 21 |
38 |
|
[CL]A:505 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
9 |
5 |
19275 |
48.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.075 |
39 |
|
[CL]B:505 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
18828 |
46.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.075 |
40 |
|
[CL]D:504 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
18488 |
45.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.075 |
41 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
18703 |
45.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.075 |
| Average: |
46.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.075 |
| 22 |
42 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
19117 |
46.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.054 |
43 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
19227 |
44.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
45.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.054 |
| 23 |
44 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
18703 |
42.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.058 |
45 |
|
[MG]F:502 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
19275 |
41.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.058 |
46 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
18488 |
40.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.058 |
47 |
|
[MG]E:502 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
18828 |
36.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
40.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.058 |
| 24 |
48 |
|
[MG]E:502 |
1 |
1 |
98 |
f |
[ATP]E:501 |
x,y,z |
1_555 |
5 |
1 |
624 |
39.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.111 |
49 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[ATP]A:501 |
x,y,z |
1_555 |
3 |
1 |
617 |
38.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.111 |
50 |
|
[MG]F:502 |
1 |
1 |
98 |
f |
[ATP]F:501 |
x,y,z |
1_555 |
3 |
1 |
619 |
38.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.111 |
51 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
[ATP]B:501 |
x,y,z |
1_555 |
3 |
1 |
620 |
37.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.111 |
52 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[ATP]C:501 |
x,y,z |
1_555 |
4 |
1 |
624 |
37.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.111 |
53 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
[ATP]D:501 |
x,y,z |
1_555 |
4 |
1 |
617 |
36.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.111 |
| Average: |
37.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.111 |
| 25 |
54 |
|
[CL]C:505 |
1 |
1 |
125 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
18703 |
23.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
1 |
1 |
18488 |
◊ |
[CL]D:505 |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
125 |
22.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
22.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
56 |
|
A |
2 |
1 |
18488 |
x |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
2 |
1 |
18488 |
3.8 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
57 |
|
B |
1 |
1 |
18703 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
18703 |
1.9 |
0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
| Average: |
2.9 |
0.0 |
0.664 |
0 |
0 |
0 |
0.000 |
| 27 |
58 |
|
[ATP]B:501 |
1 |
1 |
620 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
18828 |
0.7 |
0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
| 28 |
59 |
|
[ATP]F:501 |
1 |
1 |
619 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19227 |
0.2 |
0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
|