| ## |
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 |
|
E |
135 |
34 |
12752 |
◊ |
A |
x,y,z |
1_555 |
179 |
47 |
17575 |
1510.6 |
-19.9 |
0.116 |
18 |
5 |
0 |
0.458 |
| 2 |
2 |
|
D |
144 |
38 |
17437 |
◊ |
C |
x,y,z |
1_555 |
149 |
36 |
17545 |
1377.9 |
-14.4 |
0.117 |
13 |
8 |
0 |
0.300 |
3 |
|
B |
138 |
38 |
17271 |
◊ |
A |
x,y,z |
1_555 |
150 |
36 |
17575 |
1339.1 |
-18.4 |
0.031 |
10 |
10 |
0 |
0.300 |
| Average: |
1358.5 |
-16.4 |
0.074 |
12 |
9 |
0 |
0.300 |
| 3 |
4 |
|
B |
91 |
27 |
17271 |
◊ |
C |
x,y,z |
1_555 |
105 |
30 |
17545 |
865.1 |
-8.6 |
0.219 |
15 |
2 |
0 |
0.231 |
| 4 |
5 |
|
D |
90 |
24 |
17437 |
◊ |
F |
-x,y-1/2,-z+1/2 |
4_545 |
82 |
25 |
17222 |
784.9 |
3.5 |
0.737 |
17 |
3 |
0 |
0.021 |
| 5 |
6 |
|
E |
80 |
16 |
12752 |
◊ |
C |
x,y,z |
1_555 |
88 |
26 |
17545 |
766.5 |
-9.5 |
0.214 |
7 |
4 |
0 |
0.151 |
| 6 |
7 |
|
F |
79 |
23 |
17222 |
◊ |
A |
x,y,z |
1_555 |
84 |
22 |
17575 |
764.4 |
-1.0 |
0.635 |
8 |
6 |
0 |
0.025 |
| 7 |
8 |
|
E |
57 |
16 |
12752 |
◊ |
D |
x,y,z |
1_555 |
83 |
24 |
17437 |
649.2 |
-5.5 |
0.390 |
3 |
5 |
0 |
0.033 |
| 8 |
9 |
|
E |
61 |
15 |
12752 |
◊ |
B |
x,y,z |
1_555 |
81 |
21 |
17271 |
630.6 |
-4.5 |
0.475 |
4 |
5 |
0 |
0.081 |
| 9 |
10 |
|
C |
67 |
23 |
17545 |
◊ |
E |
x-1/2,-y+1/2,-z |
3_455 |
48 |
12 |
12752 |
558.7 |
-1.3 |
0.640 |
8 |
4 |
0 |
0.000 |
| 10 |
11 |
|
F |
52 |
15 |
17222 |
◊ |
B |
x,y,z |
1_555 |
41 |
11 |
17271 |
423.5 |
-1.6 |
0.501 |
4 |
0 |
0 |
0.015 |
| 11 |
12 |
|
[GTP]C:501 |
31 |
1 |
631 |
f |
C |
x,y,z |
1_555 |
65 |
30 |
17545 |
411.0 |
-3.5 |
0.535 |
19 |
0 |
0 |
0.189 |
13 |
|
[GTP]A:501 |
32 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
67 |
30 |
17575 |
410.3 |
-2.9 |
0.579 |
20 |
0 |
0 |
0.189 |
| Average: |
410.7 |
-3.2 |
0.557 |
20 |
0 |
0 |
0.189 |
| 12 |
14 |
|
[ACP]F:401 |
30 |
1 |
591 |
f |
F |
x,y,z |
1_555 |
51 |
23 |
17222 |
407.0 |
0.4 |
0.636 |
9 |
0 |
0 |
0.027 |
| 13 |
15 |
|
[GDP]B:501 |
27 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
63 |
28 |
17271 |
402.1 |
-6.5 |
0.581 |
12 |
0 |
0 |
0.179 |
16 |
|
[GDP]D:501 |
28 |
1 |
561 |
f |
D |
x,y,z |
1_555 |
65 |
29 |
17437 |
399.6 |
-6.5 |
0.577 |
14 |
0 |
0 |
0.179 |
| Average: |
400.8 |
-6.5 |
0.579 |
13 |
0 |
0 |
0.179 |
| 14 |
17 |
|
[LLM]B:503 |
28 |
1 |
677 |
f |
B |
x,y,z |
1_555 |
53 |
15 |
17271 |
376.9 |
2.9 |
0.587 |
3 |
0 |
0 |
0.000 |
| 15 |
18 |
|
C |
51 |
12 |
17545 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
41 |
11 |
17575 |
356.4 |
-1.1 |
0.614 |
4 |
1 |
0 |
0.014 |
| 16 |
19 |
|
C |
37 |
12 |
17545 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
36 |
13 |
17575 |
289.6 |
-2.3 |
0.417 |
2 |
0 |
0 |
0.000 |
| 17 |
20 |
|
C |
33 |
12 |
17545 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
27 |
6 |
12752 |
250.3 |
-0.5 |
0.640 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
D |
22 |
6 |
17437 |
◊ |
A |
x-1/2,-y+1/2,-z |
3_455 |
24 |
9 |
17575 |
208.1 |
1.0 |
0.742 |
2 |
2 |
0 |
0.000 |
| 19 |
22 |
|
D |
19 |
8 |
17437 |
◊ |
E |
x-1/2,-y+1/2,-z |
3_455 |
22 |
10 |
12752 |
208.1 |
2.5 |
0.869 |
2 |
4 |
0 |
0.000 |
| 20 |
23 |
|
C |
28 |
6 |
17545 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
30 |
9 |
17271 |
203.5 |
0.2 |
0.685 |
2 |
1 |
0 |
0.000 |
| 21 |
24 |
|
B |
22 |
5 |
17271 |
◊ |
D |
x-1/2,-y+1/2,-z |
3_455 |
26 |
6 |
17437 |
182.6 |
-1.7 |
0.401 |
1 |
1 |
0 |
0.000 |
| 22 |
25 |
|
[GOL]D:503 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
29 |
10 |
17437 |
147.4 |
-1.4 |
0.439 |
0 |
0 |
0 |
0.020 |
| 23 |
26 |
|
[GOL]B:504 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
17271 |
143.4 |
0.7 |
0.612 |
5 |
0 |
0 |
0.023 |
| 24 |
27 |
|
B |
16 |
5 |
17271 |
◊ |
E |
x-1/2,-y+1/2,-z |
3_455 |
13 |
6 |
12752 |
114.3 |
0.8 |
0.720 |
1 |
1 |
0 |
0.000 |
| 25 |
28 |
|
A |
12 |
4 |
17575 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
12 |
2 |
17222 |
100.0 |
-0.4 |
0.400 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
C |
6 |
3 |
17545 |
x |
C |
x-1/2,-y+1/2,-z |
3_455 |
15 |
6 |
17545 |
72.8 |
0.5 |
0.726 |
1 |
0 |
0 |
0.000 |
| 27 |
30 |
|
B |
8 |
4 |
17271 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
3 |
12752 |
60.8 |
-0.1 |
0.543 |
0 |
1 |
0 |
0.000 |
| 28 |
31 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
17437 |
52.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.082 |
32 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
17271 |
51.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
51.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.082 |
| 29 |
33 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
17575 |
43.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.204 |
| 30 |
34 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17575 |
43.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.083 |
35 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17545 |
43.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
43.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.083 |
| 31 |
36 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
17222 |
42.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.038 |
| 32 |
37 |
|
[GTP]C:501 |
7 |
1 |
631 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17437 |
37.8 |
0.7 |
0.752 |
1 |
0 |
0 |
0.000 |
38 |
|
[GTP]A:501 |
5 |
1 |
626 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17271 |
34.5 |
0.6 |
0.752 |
1 |
0 |
0 |
0.000 |
| Average: |
36.2 |
0.7 |
0.752 |
1 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[ACP]F:401 |
5 |
1 |
591 |
f |
[MG]F:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.035 |
| 34 |
40 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
5 |
1 |
631 |
31.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.066 |
41 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
4 |
1 |
626 |
31.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
31.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.066 |
| 35 |
42 |
|
[GDP]B:501 |
7 |
1 |
560 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.067 |
43 |
|
[GDP]D:501 |
6 |
1 |
561 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
30.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.067 |
| 36 |
44 |
|
[CA]B:506 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
17271 |
30.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.076 |
| 37 |
45 |
|
B |
5 |
2 |
17271 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
6 |
2 |
17222 |
26.0 |
0.2 |
0.682 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
C |
4 |
2 |
17545 |
f |
[CA]B:505 |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
85 |
24.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.054 |
| 39 |
47 |
|
[CA]B:505 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17271 |
20.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
48 |
|
C |
6 |
5 |
17545 |
◊ |
[CA]B:506 |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
85 |
18.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
49 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17271 |
12.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
50 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17437 |
12.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
12.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| 42 |
51 |
|
[GOL]D:503 |
1 |
1 |
216 |
◊ |
F |
-x,y-1/2,-z+1/2 |
4_545 |
2 |
1 |
17222 |
8.9 |
0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
| 43 |
52 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17545 |
8.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
| 44 |
53 |
|
D |
1 |
1 |
17437 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
17271 |
8.0 |
0.2 |
0.833 |
0 |
0 |
0 |
0.000 |
|