| ## |
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 |
87 |
24 |
16642 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
84 |
23 |
16719 |
851.9 |
-5.0 |
0.378 |
11 |
8 |
0 |
0.000 |
2 |
|
D |
87 |
23 |
16594 |
◊ |
A |
x,y,z-1 |
1_554 |
86 |
23 |
16766 |
838.9 |
-5.4 |
0.337 |
9 |
8 |
0 |
0.000 |
| Average: |
845.4 |
-5.2 |
0.358 |
10 |
8 |
0 |
0.000 |
| 2 |
3 |
|
B |
55 |
20 |
16642 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
51 |
20 |
16594 |
493.4 |
-5.1 |
0.218 |
1 |
0 |
0 |
0.000 |
4 |
|
A |
53 |
19 |
16766 |
◊ |
C |
x-1,y,z |
1_455 |
54 |
21 |
16719 |
478.7 |
-4.3 |
0.309 |
1 |
0 |
0 |
0.000 |
| Average: |
486.1 |
-4.7 |
0.263 |
1 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[ADP]C:507 |
27 |
1 |
555 |
f |
C |
x,y,z |
1_555 |
57 |
23 |
16719 |
351.5 |
-5.5 |
0.447 |
9 |
0 |
0 |
0.037 |
6 |
|
[ADP]A:504 |
26 |
1 |
555 |
f |
A |
x,y,z |
1_555 |
53 |
23 |
16766 |
350.8 |
-5.4 |
0.395 |
9 |
0 |
0 |
0.037 |
7 |
|
[ADP]B:509 |
27 |
1 |
552 |
f |
B |
x,y,z |
1_555 |
52 |
21 |
16642 |
350.3 |
-5.2 |
0.379 |
11 |
0 |
0 |
0.037 |
8 |
|
[ADP]D:505 |
27 |
1 |
554 |
f |
D |
x,y,z |
1_555 |
55 |
23 |
16594 |
349.3 |
-5.2 |
0.425 |
9 |
0 |
0 |
0.037 |
| Average: |
350.5 |
-5.3 |
0.412 |
10 |
0 |
0 |
0.037 |
| 4 |
9 |
|
C |
46 |
15 |
16719 |
◊ |
B |
x,y,z |
1_555 |
39 |
10 |
16642 |
332.9 |
2.5 |
0.844 |
3 |
2 |
0 |
0.000 |
10 |
|
A |
31 |
10 |
16766 |
◊ |
D |
-x-1,y-1/2,-z+2 |
2_447 |
43 |
14 |
16594 |
305.1 |
2.0 |
0.806 |
4 |
5 |
0 |
0.000 |
| Average: |
319.0 |
2.3 |
0.825 |
4 |
4 |
0 |
0.000 |
| 5 |
11 |
|
B |
30 |
9 |
16642 |
x |
B |
x-1,y,z |
1_455 |
29 |
9 |
16642 |
289.8 |
-2.8 |
0.278 |
2 |
0 |
0 |
0.000 |
| 6 |
12 |
|
A |
29 |
11 |
16766 |
x |
A |
x-1,y,z |
1_455 |
31 |
7 |
16766 |
288.1 |
-2.6 |
0.301 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
C |
30 |
14 |
16719 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
16766 |
247.4 |
-2.1 |
0.357 |
1 |
0 |
0 |
0.000 |
| 8 |
14 |
|
A |
22 |
8 |
16766 |
◊ |
C |
-x-1,y-1/2,-z+2 |
2_447 |
20 |
4 |
16719 |
193.6 |
1.6 |
0.808 |
2 |
0 |
0 |
0.000 |
15 |
|
D |
19 |
4 |
16594 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
16642 |
182.8 |
0.6 |
0.659 |
1 |
0 |
0 |
0.000 |
| Average: |
188.2 |
1.1 |
0.733 |
2 |
0 |
0 |
0.000 |
| 9 |
16 |
|
C |
17 |
6 |
16719 |
x |
C |
x-1,y,z |
1_455 |
19 |
7 |
16719 |
168.9 |
-0.4 |
0.509 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[PEG]B:505 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
16642 |
166.3 |
3.4 |
0.409 |
2 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[PG4]C:501 |
13 |
1 |
394 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
16719 |
163.1 |
1.7 |
0.144 |
1 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[PEG]C:503 |
7 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
24 |
13 |
16719 |
150.7 |
4.0 |
0.473 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[GOL]C:505 |
6 |
1 |
225 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
16719 |
146.7 |
-0.7 |
0.517 |
6 |
0 |
0 |
0.012 |
21 |
|
[GOL]D:504 |
6 |
1 |
223 |
f |
D |
x,y,z |
1_555 |
26 |
13 |
16594 |
125.2 |
-0.5 |
0.520 |
6 |
0 |
0 |
0.012 |
| Average: |
136.0 |
-0.6 |
0.519 |
6 |
0 |
0 |
0.012 |
| 14 |
22 |
|
[PEG]B:504 |
7 |
1 |
240 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
16642 |
146.2 |
4.5 |
0.456 |
3 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[PEG]C:502 |
6 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
16719 |
144.5 |
4.1 |
0.547 |
4 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[GOL]A:503 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
16766 |
138.5 |
-0.8 |
0.487 |
4 |
0 |
0 |
0.006 |
| 17 |
25 |
|
[GOL]B:508 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
16642 |
137.7 |
-0.6 |
0.560 |
3 |
0 |
0 |
0.007 |
| 18 |
26 |
|
[PEG]A:501 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
16766 |
135.8 |
2.9 |
0.358 |
4 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[PEG]D:503 |
7 |
1 |
254 |
f |
D |
x,y,z |
1_555 |
24 |
13 |
16594 |
130.6 |
2.7 |
0.371 |
2 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[PEG]B:501 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
16642 |
125.5 |
4.1 |
0.443 |
1 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[PEG]D:501 |
7 |
1 |
254 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
16594 |
123.5 |
2.1 |
0.265 |
3 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[GOL]A:502 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
16766 |
108.9 |
-0.6 |
0.488 |
4 |
0 |
0 |
0.005 |
| 23 |
31 |
|
B |
21 |
6 |
16642 |
◊ |
C |
-x-1,y-1/2,-z+2 |
2_447 |
10 |
5 |
16719 |
104.0 |
0.7 |
0.737 |
1 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[PEG]B:502 |
7 |
1 |
250 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
16642 |
101.7 |
3.4 |
0.402 |
1 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[GOL]C:504 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
16719 |
101.4 |
0.3 |
0.640 |
1 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[GOL]B:506 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
16642 |
99.5 |
0.7 |
0.671 |
3 |
0 |
0 |
0.002 |
| 27 |
35 |
|
[PEG]D:502 |
6 |
1 |
254 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
16594 |
92.4 |
1.7 |
0.263 |
1 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[GOL]B:507 |
5 |
1 |
218 |
◊ |
C |
-x-1,y-1/2,-z+2 |
2_447 |
13 |
4 |
16719 |
80.8 |
-0.3 |
0.541 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[GOL]B:507 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
16642 |
80.5 |
-0.2 |
0.571 |
2 |
0 |
0 |
0.004 |
| 30 |
38 |
|
[CL]D:506 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
16594 |
72.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.044 |
39 |
|
[CL]A:505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
16766 |
70.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.044 |
40 |
|
[CL]B:510 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16642 |
70.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.044 |
41 |
|
[CL]C:508 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
16719 |
67.8 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
70.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.044 |
| 31 |
42 |
|
A |
11 |
5 |
16766 |
◊ |
[GOL]C:506 |
x-1,y,z |
1_455 |
4 |
1 |
219 |
65.6 |
0.2 |
0.621 |
1 |
0 |
0 |
0.000 |
| 32 |
43 |
|
[CL]A:506 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
16766 |
59.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| 33 |
44 |
|
[PEG]B:503 |
6 |
1 |
240 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
16642 |
55.5 |
1.8 |
0.236 |
1 |
0 |
0 |
0.000 |
| 34 |
45 |
|
[PEG]B:502 |
5 |
1 |
250 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
16594 |
54.0 |
1.6 |
0.308 |
0 |
0 |
0 |
0.000 |
| 35 |
46 |
|
[GOL]C:506 |
4 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
16719 |
49.6 |
-0.4 |
0.505 |
1 |
0 |
0 |
0.003 |
| 36 |
47 |
|
[PEG]B:503 |
6 |
1 |
240 |
◊ |
[PEG]D:502 |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
1 |
254 |
47.6 |
1.7 |
0.066 |
1 |
0 |
0 |
0.000 |
| 37 |
48 |
|
[MG]B:511 |
1 |
1 |
98 |
f |
[ADP]B:509 |
x,y,z |
1_555 |
4 |
1 |
552 |
38.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.023 |
49 |
|
[MG]A:507 |
1 |
1 |
98 |
f |
[ADP]A:504 |
x,y,z |
1_555 |
5 |
1 |
555 |
38.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.023 |
50 |
|
[MG]C:509 |
1 |
1 |
98 |
f |
[ADP]C:507 |
x,y,z |
1_555 |
4 |
1 |
555 |
37.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.023 |
51 |
|
[MG]D:507 |
1 |
1 |
98 |
f |
[ADP]D:505 |
x,y,z |
1_555 |
4 |
1 |
554 |
32.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
36.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.023 |
| 38 |
52 |
|
[MG]C:509 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
16719 |
37.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.017 |
53 |
|
[MG]A:507 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
16766 |
37.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.017 |
54 |
|
[MG]B:511 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16642 |
35.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.017 |
55 |
|
[MG]D:507 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
16594 |
31.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
35.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 39 |
56 |
|
[GOL]D:504 |
3 |
1 |
223 |
f |
[PEG]D:503 |
x,y,z |
1_555 |
5 |
1 |
254 |
36.7 |
0.5 |
0.175 |
0 |
0 |
0 |
0.000 |
| 40 |
57 |
|
[PEG]B:503 |
6 |
1 |
240 |
f |
D |
-x-1,y-1/2,-z+1 |
2_446 |
6 |
3 |
16594 |
33.4 |
1.2 |
0.183 |
0 |
0 |
0 |
0.000 |
| 41 |
58 |
|
D |
8 |
2 |
16594 |
◊ |
C |
x-1,y,z-1 |
1_454 |
7 |
2 |
16719 |
33.3 |
0.8 |
0.771 |
0 |
0 |
0 |
0.000 |
| 42 |
59 |
|
[ADP]D:505 |
4 |
1 |
554 |
f |
[PEG]D:503 |
x,y,z |
1_555 |
5 |
1 |
254 |
28.6 |
-1.2 |
0.147 |
1 |
0 |
0 |
0.005 |
| 43 |
60 |
|
[MG]D:507 |
1 |
1 |
98 |
f |
[PEG]D:503 |
x,y,z |
1_555 |
3 |
1 |
254 |
17.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| 44 |
61 |
|
[GOL]A:502 |
2 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16719 |
15.6 |
-0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
| 45 |
62 |
|
[GOL]C:504 |
2 |
1 |
220 |
f |
[PEG]C:502 |
x,y,z |
1_555 |
2 |
1 |
256 |
15.1 |
0.5 |
0.309 |
0 |
0 |
0 |
0.000 |
| 46 |
63 |
|
B |
3 |
1 |
16642 |
f |
[PEG]D:502 |
-x-1,y-1/2,-z+1 |
2_446 |
2 |
1 |
254 |
14.6 |
0.6 |
0.390 |
0 |
0 |
0 |
0.000 |
| 47 |
64 |
|
[PEG]A:501 |
1 |
1 |
259 |
f |
C |
-x-1,y-1/2,-z+2 |
2_447 |
1 |
1 |
16719 |
10.3 |
0.5 |
0.609 |
0 |
0 |
0 |
0.000 |
| 48 |
65 |
|
A |
2 |
2 |
16766 |
f |
[PEG]D:501 |
-x-1,y-1/2,-z+2 |
2_447 |
1 |
1 |
254 |
9.7 |
-0.2 |
0.313 |
0 |
0 |
0 |
0.000 |
| 49 |
66 |
|
[ADP]B:509 |
1 |
1 |
552 |
f |
[PEG]B:505 |
x,y,z |
1_555 |
2 |
1 |
260 |
9.1 |
-0.6 |
0.178 |
0 |
0 |
0 |
0.002 |
| 50 |
67 |
|
B |
2 |
1 |
16642 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16766 |
6.9 |
0.1 |
0.470 |
0 |
0 |
0 |
0.000 |
| 51 |
68 |
|
[GOL]C:505 |
1 |
1 |
225 |
f |
[PEG]C:503 |
x,y,z |
1_555 |
1 |
1 |
257 |
0.4 |
0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
|