| ## |
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 |
|
B |
53 |
16 |
12795 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
42 |
12 |
12885 |
458.0 |
-2.8 |
0.442 |
2 |
1 |
0 |
0.000 |
2 |
|
A |
51 |
16 |
12753 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
42 |
13 |
12765 |
444.3 |
-3.5 |
0.343 |
1 |
1 |
0 |
0.000 |
| Average: |
451.1 |
-3.2 |
0.392 |
2 |
1 |
0 |
0.000 |
| 2 |
3 |
|
A |
45 |
15 |
12753 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
50 |
14 |
12753 |
452.3 |
-2.6 |
0.459 |
5 |
0 |
0 |
0.000 |
4 |
|
B |
43 |
13 |
12795 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
55 |
14 |
12795 |
439.6 |
-4.6 |
0.298 |
4 |
0 |
0 |
0.000 |
| Average: |
445.9 |
-3.6 |
0.379 |
5 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[ATP]B:1101 |
28 |
1 |
641 |
f |
B |
x,y,z |
1_555 |
61 |
22 |
12795 |
375.2 |
-0.8 |
0.558 |
6 |
0 |
0 |
0.138 |
| 4 |
6 |
|
D |
37 |
13 |
12885 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
12795 |
330.9 |
-1.3 |
0.479 |
1 |
1 |
0 |
0.000 |
7 |
|
C |
30 |
8 |
12765 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
12753 |
272.8 |
-3.5 |
0.215 |
1 |
1 |
0 |
0.000 |
| Average: |
301.8 |
-2.4 |
0.347 |
1 |
1 |
0 |
0.000 |
| 5 |
8 |
|
[ATP]A:1101 |
24 |
1 |
624 |
◊ |
A |
x,y,z |
1_555 |
31 |
14 |
12753 |
274.8 |
1.7 |
0.714 |
3 |
0 |
0 |
0.000 |
| 6 |
9 |
|
D |
31 |
9 |
12885 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
12765 |
222.1 |
0.5 |
0.689 |
3 |
0 |
0 |
0.000 |
| 7 |
10 |
|
A |
23 |
10 |
12753 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
30 |
11 |
12765 |
202.7 |
-5.4 |
0.080 |
0 |
0 |
1 |
0.077 |
11 |
|
B |
16 |
8 |
12795 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
9 |
12885 |
174.4 |
-6.4 |
0.021 |
0 |
0 |
1 |
0.077 |
| Average: |
188.5 |
-5.9 |
0.051 |
0 |
0 |
1 |
0.077 |
| 8 |
12 |
|
D |
17 |
6 |
12885 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
3 |
12765 |
154.8 |
-2.4 |
0.186 |
1 |
1 |
0 |
0.000 |
| 9 |
13 |
|
C |
19 |
8 |
12765 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
12795 |
147.0 |
-0.5 |
0.526 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
C |
19 |
6 |
12765 |
◊ |
D |
x,y-1,z |
1_545 |
18 |
5 |
12885 |
142.7 |
-1.0 |
0.483 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[PEG]B:1103 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
12795 |
129.4 |
3.1 |
0.366 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
13 |
5 |
12795 |
f |
[GOL]D:1105 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
218 |
106.7 |
-1.2 |
0.407 |
2 |
0 |
0 |
0.083 |
| 13 |
17 |
|
[GOL]C:1103 |
6 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
12765 |
99.4 |
0.4 |
0.616 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
A |
16 |
8 |
12753 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
6 |
12765 |
94.5 |
2.5 |
0.863 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
B |
11 |
4 |
12795 |
◊ |
C |
x-1,y,z |
1_455 |
16 |
5 |
12765 |
85.6 |
0.4 |
0.617 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[GOL]B:1102 |
6 |
1 |
216 |
f |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
10 |
5 |
12885 |
82.7 |
-1.4 |
0.288 |
0 |
0 |
0 |
0.011 |
| 17 |
21 |
|
A |
6 |
3 |
12753 |
◊ |
D |
x,y-1,z |
1_545 |
10 |
5 |
12885 |
77.6 |
2.9 |
0.927 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[GOL]C:1102 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
12765 |
75.4 |
0.6 |
0.643 |
2 |
0 |
0 |
0.023 |
| 19 |
23 |
|
[GOL]B:1102 |
6 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
12795 |
75.0 |
0.8 |
0.684 |
3 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[GOL]D:1102 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
12885 |
71.0 |
1.2 |
0.635 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
B |
7 |
4 |
12795 |
◊ |
D |
x,y-1,z |
1_545 |
10 |
5 |
12885 |
70.9 |
0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[GOL]A:1103 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12753 |
68.6 |
0.9 |
0.711 |
2 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[GOL]C:1105 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
12765 |
67.7 |
-0.7 |
0.478 |
0 |
0 |
0 |
0.046 |
| 24 |
28 |
|
[GOL]C:1101 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
12765 |
67.2 |
0.6 |
0.686 |
2 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[TRS]A:1104 |
5 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12753 |
62.6 |
0.9 |
0.087 |
2 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[GOL]C:1103 |
4 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12753 |
61.5 |
-0.5 |
0.473 |
3 |
0 |
0 |
0.056 |
| 27 |
31 |
|
[GOL]C:1104 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
12765 |
59.1 |
-0.1 |
0.535 |
1 |
0 |
0 |
0.037 |
| 28 |
32 |
|
[GOL]D:1105 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
12885 |
54.7 |
-0.6 |
0.445 |
1 |
0 |
0 |
0.007 |
| 29 |
33 |
|
[TRS]A:1104 |
6 |
1 |
255 |
f |
[GOL]A:1102 |
x,y,z |
1_555 |
4 |
1 |
217 |
46.8 |
0.4 |
0.012 |
1 |
0 |
0 |
0.000 |
| 30 |
34 |
|
B |
5 |
2 |
12795 |
f |
[GOL]D:1103 |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
1 |
220 |
43.2 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[GOL]D:1101 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12885 |
40.9 |
0.5 |
0.657 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[GOL]D:1103 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
12885 |
37.2 |
0.5 |
0.529 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[GOL]D:1102 |
3 |
1 |
219 |
f |
[GOL]D:1101 |
x,y,z |
1_555 |
3 |
1 |
220 |
33.6 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
A |
4 |
2 |
12753 |
◊ |
[GOL]C:1104 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
221 |
30.5 |
0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
A |
3 |
1 |
12753 |
f |
[GOL]C:1101 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
219 |
29.0 |
-0.8 |
0.311 |
0 |
0 |
0 |
0.025 |
| 36 |
40 |
|
[GOL]A:1102 |
2 |
1 |
217 |
f |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
12765 |
27.8 |
-0.3 |
0.469 |
0 |
0 |
0 |
0.018 |
| 37 |
41 |
|
A |
3 |
1 |
12753 |
f |
[GOL]A:1103 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
220 |
26.4 |
-0.6 |
0.283 |
0 |
0 |
0 |
0.019 |
| 38 |
42 |
|
[GOL]D:1104 |
3 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
12885 |
25.9 |
-0.2 |
0.402 |
0 |
0 |
0 |
0.001 |
| 39 |
43 |
|
B |
3 |
1 |
12795 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
12753 |
22.0 |
0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
| 40 |
44 |
|
D |
4 |
3 |
12885 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
12753 |
20.1 |
-0.2 |
0.552 |
0 |
0 |
0 |
0.000 |
| 41 |
45 |
|
[ATP]A:1101 |
1 |
1 |
624 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
12765 |
17.5 |
0.3 |
0.666 |
0 |
0 |
0 |
0.000 |
| 42 |
46 |
|
A |
3 |
1 |
12753 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
12885 |
15.1 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
| 43 |
47 |
|
[PEG]B:1103 |
2 |
1 |
262 |
f |
[ATP]B:1101 |
x,y,z |
1_555 |
3 |
1 |
641 |
10.8 |
0.4 |
0.323 |
0 |
0 |
0 |
0.000 |
| 44 |
48 |
|
[GOL]A:1102 |
1 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12753 |
3.7 |
-0.0 |
0.451 |
0 |
0 |
0 |
0.000 |
|