## |
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 |
|
A |
91 |
27 |
16853 |
◊ |
B |
x-1,y,z |
1_455 |
107 |
37 |
17781 |
928.1 |
-7.0 |
0.265 |
13 |
3 |
0 |
0.000 |
2 |
|
C |
106 |
34 |
17623 |
◊ |
D |
x,y-1,z |
1_545 |
97 |
29 |
16935 |
922.2 |
-7.5 |
0.246 |
9 |
3 |
0 |
0.000 |
3 |
|
D |
106 |
34 |
16935 |
◊ |
C |
x,y,z |
1_555 |
95 |
30 |
17623 |
907.6 |
-6.8 |
0.234 |
8 |
3 |
0 |
0.000 |
4 |
|
B |
86 |
26 |
17781 |
◊ |
A |
x,y,z |
1_555 |
94 |
32 |
16853 |
821.4 |
-7.5 |
0.185 |
9 |
3 |
0 |
0.000 |
Average: |
894.8 |
-7.2 |
0.232 |
10 |
3 |
0 |
0.000 |
2 |
5 |
|
C |
62 |
17 |
17623 |
◊ |
B |
x,y-1,z |
1_545 |
44 |
11 |
17781 |
555.3 |
-3.6 |
0.411 |
12 |
0 |
0 |
0.000 |
6 |
|
C |
45 |
12 |
17623 |
◊ |
B |
x-1,y,z |
1_455 |
63 |
17 |
17781 |
521.2 |
-2.6 |
0.480 |
12 |
0 |
0 |
0.000 |
Average: |
538.3 |
-3.1 |
0.445 |
12 |
0 |
0 |
0.000 |
3 |
7 |
|
D |
55 |
18 |
16935 |
◊ |
B |
x,y,z-1 |
1_554 |
49 |
17 |
17781 |
457.6 |
-1.5 |
0.558 |
8 |
0 |
0 |
0.000 |
4 |
8 |
|
D |
30 |
7 |
16935 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
17781 |
319.0 |
-2.3 |
0.411 |
2 |
1 |
0 |
0.000 |
9 |
|
C |
30 |
10 |
17623 |
◊ |
A |
x,y,z |
1_555 |
29 |
7 |
16853 |
266.0 |
-3.6 |
0.212 |
2 |
0 |
0 |
0.000 |
Average: |
292.5 |
-3.0 |
0.311 |
2 |
1 |
0 |
0.000 |
5 |
10 |
|
[GQE]C:504 |
20 |
1 |
493 |
f |
C |
x,y,z |
1_555 |
47 |
14 |
17623 |
285.9 |
-1.1 |
0.537 |
2 |
0 |
0 |
0.002 |
11 |
|
[GQE]A:504 |
20 |
1 |
492 |
f |
A |
x,y,z |
1_555 |
47 |
14 |
16853 |
285.9 |
-2.1 |
0.420 |
2 |
0 |
0 |
0.002 |
12 |
|
[GQE]D:504 |
20 |
1 |
494 |
f |
D |
x,y,z |
1_555 |
46 |
14 |
16935 |
280.8 |
-1.9 |
0.435 |
2 |
0 |
0 |
0.002 |
13 |
|
[GQE]B:504 |
21 |
1 |
496 |
f |
B |
x,y,z |
1_555 |
44 |
14 |
17781 |
278.7 |
-2.2 |
0.428 |
2 |
0 |
0 |
0.002 |
Average: |
282.8 |
-1.8 |
0.455 |
2 |
0 |
0 |
0.002 |
6 |
14 |
|
C |
31 |
12 |
17623 |
◊ |
A |
x,y,z-1 |
1_554 |
25 |
10 |
16853 |
278.5 |
-0.5 |
0.604 |
2 |
0 |
0 |
0.000 |
7 |
15 |
|
D |
21 |
9 |
16935 |
◊ |
A |
x,y,z-1 |
1_554 |
23 |
7 |
16853 |
166.8 |
-0.5 |
0.540 |
0 |
0 |
0 |
0.000 |
8 |
16 |
|
D |
19 |
8 |
16935 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
7 |
17781 |
165.9 |
0.1 |
0.663 |
1 |
2 |
0 |
0.000 |
17 |
|
C |
22 |
8 |
17623 |
◊ |
A |
x,y-1,z |
1_545 |
22 |
9 |
16853 |
154.7 |
0.5 |
0.702 |
1 |
2 |
0 |
0.000 |
Average: |
160.3 |
0.3 |
0.683 |
1 |
2 |
0 |
0.000 |
9 |
18 |
|
[GOL]B:505 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
17781 |
144.6 |
0.1 |
0.615 |
6 |
0 |
0 |
0.002 |
10 |
19 |
|
[DMF]C:506 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
28 |
8 |
17623 |
144.4 |
3.3 |
0.501 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
[GOL]A:506 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
16853 |
141.3 |
1.1 |
0.703 |
3 |
0 |
0 |
0.000 |
12 |
21 |
|
[GOL]A:507 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
16853 |
141.1 |
-0.0 |
0.608 |
9 |
0 |
0 |
0.003 |
13 |
22 |
|
[DMF]C:507 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
27 |
9 |
17623 |
139.9 |
3.9 |
0.528 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
[GOL]C:505 |
6 |
1 |
225 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
17623 |
137.4 |
1.3 |
0.688 |
8 |
0 |
0 |
0.002 |
15 |
24 |
|
[GOL]B:506 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
17781 |
133.0 |
2.4 |
0.680 |
6 |
0 |
0 |
0.000 |
16 |
25 |
|
[DMF]B:510 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
17781 |
130.4 |
3.3 |
0.509 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
[DMF]B:509 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
17781 |
129.6 |
2.2 |
0.364 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[GOL]B:508 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
17781 |
126.1 |
1.7 |
0.645 |
5 |
0 |
0 |
0.000 |
19 |
28 |
|
[GOL]A:505 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
16853 |
125.9 |
-0.2 |
0.591 |
6 |
0 |
0 |
0.002 |
20 |
29 |
|
[GOL]B:507 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
17781 |
121.9 |
0.6 |
0.688 |
5 |
0 |
0 |
0.001 |
21 |
30 |
|
[DMF]A:508 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16853 |
116.1 |
3.5 |
0.499 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[DMF]D:506 |
5 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
16935 |
115.4 |
1.9 |
0.291 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[K]D:503 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
16935 |
114.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.076 |
33 |
|
[K]B:503 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
17781 |
113.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.076 |
34 |
|
[K]A:503 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
16853 |
113.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.076 |
35 |
|
[K]C:503 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
17623 |
113.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
113.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.076 |
24 |
36 |
|
[DMF]D:505 |
5 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
16935 |
106.8 |
2.4 |
0.351 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
[DMF]A:509 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
16853 |
81.3 |
2.2 |
0.345 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[GQE]A:504 |
8 |
1 |
492 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
17781 |
64.4 |
-0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
10 |
3 |
17623 |
◊ |
[GQE]D:504 |
x,y-1,z |
1_545 |
7 |
1 |
494 |
55.1 |
-0.6 |
0.506 |
0 |
0 |
0 |
0.000 |
40 |
|
[GQE]B:504 |
6 |
1 |
496 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
16853 |
51.0 |
-0.5 |
0.513 |
0 |
0 |
0 |
0.000 |
41 |
|
[GQE]C:504 |
7 |
1 |
493 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
16935 |
49.9 |
-0.4 |
0.531 |
0 |
0 |
0 |
0.000 |
Average: |
55.1 |
-0.4 |
0.532 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
[DMF]A:509 |
5 |
1 |
217 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
17781 |
57.0 |
1.0 |
0.246 |
0 |
0 |
0 |
0.000 |
28 |
43 |
|
[DMF]D:506 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
8 |
1 |
17623 |
49.2 |
1.0 |
0.216 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
[DMF]B:510 |
2 |
1 |
217 |
cf |
[GOL]B:507 |
x,y,z |
1_555 |
3 |
1 |
218 |
36.5 |
0.7 |
0.490 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
17623 |
36.4 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.018 |
46 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
16853 |
36.4 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.018 |
47 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
16935 |
36.0 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.018 |
48 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
17781 |
36.0 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
36.2 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.018 |
31 |
49 |
|
C |
4 |
2 |
17623 |
◊ |
B |
x-1,y-1,z |
1_445 |
5 |
2 |
17781 |
34.0 |
0.4 |
0.746 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
[GQE]A:504 |
5 |
1 |
492 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.009 |
51 |
|
[GQE]D:504 |
5 |
1 |
494 |
f |
[ZN]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.009 |
52 |
|
[GQE]B:504 |
5 |
1 |
496 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.009 |
53 |
|
[GQE]C:504 |
5 |
1 |
493 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
30.6 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.009 |
33 |
54 |
|
[DMF]D:505 |
2 |
1 |
216 |
f |
A |
x,y,z-1 |
1_554 |
3 |
1 |
16853 |
26.0 |
1.2 |
0.553 |
0 |
0 |
0 |
0.000 |
34 |
55 |
|
D |
3 |
1 |
16935 |
x |
D |
x-1,y,z |
1_455 |
3 |
2 |
16935 |
21.9 |
1.0 |
0.870 |
1 |
1 |
0 |
0.000 |
35 |
56 |
|
C |
3 |
1 |
17623 |
f |
[DMF]B:509 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
7.8 |
0.0 |
0.475 |
0 |
0 |
0 |
0.000 |
36 |
57 |
|
[DMF]A:509 |
1 |
1 |
217 |
f |
[DMF]B:509 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
4.6 |
0.3 |
0.400 |
0 |
0 |
0 |
0.000 |
37 |
58 |
|
[GOL]A:505 |
1 |
1 |
222 |
f |
[K]A:502 |
x,y,z |
1_555 |
1 |
1 |
216 |
3.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.001 |
38 |
59 |
|
[GOL]A:505 |
1 |
1 |
222 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
17781 |
1.7 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
39 |
60 |
|
C |
1 |
1 |
17623 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
16935 |
0.2 |
-0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
|