| ## |
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 |
83 |
25 |
13577 |
◊ |
A |
x,y,z |
1_555 |
79 |
23 |
13612 |
857.0 |
-12.2 |
0.071 |
12 |
11 |
0 |
0.439 |
2 |
|
D |
82 |
22 |
13709 |
◊ |
C |
x,y,z |
1_555 |
76 |
24 |
13738 |
849.6 |
-11.9 |
0.068 |
12 |
9 |
0 |
0.439 |
| Average: |
853.3 |
-12.0 |
0.069 |
12 |
10 |
0 |
0.439 |
| 2 |
3 |
|
B |
63 |
20 |
13577 |
◊ |
C |
x-y-1,-y-1,-z-1/3 |
5_444 |
63 |
20 |
13738 |
623.7 |
0.4 |
0.820 |
6 |
10 |
0 |
0.033 |
| 3 |
4 |
|
B |
52 |
18 |
13577 |
◊ |
B |
y+1,x-1,-z |
4_645 |
52 |
18 |
13577 |
419.1 |
-1.2 |
0.695 |
12 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
40 |
15 |
13612 |
◊ |
C |
-y,x-y-1,z+1/3 |
2_545 |
45 |
15 |
13738 |
364.7 |
-2.3 |
0.541 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
41 |
11 |
13612 |
◊ |
D |
x-1,y,z |
1_455 |
44 |
12 |
13709 |
343.8 |
-0.9 |
0.666 |
4 |
1 |
0 |
0.000 |
| 6 |
7 |
|
A |
35 |
12 |
13612 |
◊ |
C |
x-y-1,-y-1,-z-1/3 |
5_444 |
27 |
9 |
13738 |
279.0 |
-2.2 |
0.410 |
1 |
0 |
0 |
0.043 |
8 |
|
B |
30 |
9 |
13577 |
◊ |
D |
x-y-1,-y-1,-z-1/3 |
5_444 |
36 |
11 |
13709 |
261.2 |
-1.8 |
0.479 |
1 |
0 |
0 |
0.043 |
| Average: |
270.1 |
-2.0 |
0.445 |
1 |
0 |
0 |
0.043 |
| 7 |
9 |
|
[JF1]D:405 |
14 |
1 |
397 |
f |
D |
x,y,z |
1_555 |
51 |
18 |
13709 |
254.1 |
-6.6 |
0.549 |
0 |
0 |
0 |
0.168 |
| 8 |
10 |
|
[JF1]C:405 |
14 |
1 |
397 |
f |
C |
x,y,z |
1_555 |
50 |
18 |
13738 |
253.9 |
-6.6 |
0.553 |
0 |
0 |
0 |
0.297 |
11 |
|
[JF1]A:405 |
14 |
1 |
396 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
13612 |
251.8 |
-6.4 |
0.563 |
0 |
0 |
0 |
0.297 |
12 |
|
[JF1]B:405 |
14 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
49 |
18 |
13577 |
250.1 |
-6.5 |
0.560 |
0 |
0 |
0 |
0.297 |
| Average: |
251.9 |
-6.5 |
0.559 |
0 |
0 |
0 |
0.297 |
| 9 |
13 |
|
B |
29 |
11 |
13577 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
32 |
8 |
13612 |
248.1 |
-1.0 |
0.618 |
3 |
0 |
0 |
0.000 |
| 10 |
14 |
|
A |
16 |
6 |
13612 |
◊ |
D |
x-y-1,-y-1,-z-1/3 |
5_444 |
16 |
6 |
13709 |
131.6 |
-0.7 |
0.572 |
0 |
0 |
0 |
0.006 |
| 11 |
15 |
|
[POP]A:401 |
9 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
24 |
13 |
13612 |
120.7 |
0.2 |
0.666 |
8 |
0 |
0 |
0.088 |
| 12 |
16 |
|
[POP]D:401 |
9 |
1 |
258 |
f |
D |
x,y,z |
1_555 |
28 |
14 |
13709 |
120.5 |
0.2 |
0.614 |
9 |
0 |
0 |
0.111 |
17 |
|
[POP]C:401 |
9 |
1 |
258 |
f |
C |
x,y,z |
1_555 |
26 |
13 |
13738 |
119.1 |
0.2 |
0.612 |
7 |
0 |
0 |
0.111 |
| Average: |
119.8 |
0.2 |
0.613 |
8 |
0 |
0 |
0.111 |
| 13 |
18 |
|
[POP]B:401 |
9 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
26 |
13 |
13577 |
120.2 |
0.6 |
0.639 |
8 |
0 |
0 |
0.030 |
| 14 |
19 |
|
[GOL]B:406 |
5 |
1 |
218 |
f |
C |
x-y-1,-y-1,-z-1/3 |
5_444 |
12 |
6 |
13738 |
97.3 |
-0.5 |
0.495 |
3 |
0 |
0 |
0.045 |
| 15 |
20 |
|
[GOL]B:406 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13577 |
69.9 |
0.5 |
0.659 |
2 |
0 |
0 |
0.003 |
| 16 |
21 |
|
C |
5 |
2 |
13738 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13612 |
55.0 |
1.5 |
0.916 |
1 |
2 |
0 |
0.000 |
| 17 |
22 |
|
[JF1]B:405 |
4 |
1 |
397 |
◊ |
[POP]B:401 |
x,y,z |
1_555 |
7 |
1 |
260 |
45.5 |
-0.3 |
0.781 |
0 |
0 |
0 |
0.003 |
| 18 |
23 |
|
[JF1]C:405 |
5 |
1 |
397 |
f |
[POP]C:401 |
x,y,z |
1_555 |
7 |
1 |
258 |
44.8 |
-0.5 |
0.800 |
0 |
0 |
0 |
0.012 |
| 19 |
24 |
|
[JF1]A:405 |
5 |
1 |
396 |
◊ |
[POP]A:401 |
x,y,z |
1_555 |
7 |
1 |
260 |
44.3 |
-0.7 |
0.796 |
0 |
0 |
0 |
0.018 |
| 20 |
25 |
|
[JF1]D:405 |
6 |
1 |
397 |
f |
[POP]D:401 |
x,y,z |
1_555 |
7 |
1 |
258 |
43.3 |
-0.5 |
0.809 |
0 |
0 |
0 |
0.012 |
| 21 |
26 |
|
[MG]C:403 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
13738 |
42.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.106 |
27 |
|
[MG]B:404 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
13577 |
42.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.106 |
28 |
|
[MG]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
13612 |
41.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.106 |
29 |
|
[MG]D:402 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
13709 |
40.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.106 |
| Average: |
41.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.106 |
| 22 |
30 |
|
B |
6 |
1 |
13577 |
◊ |
D |
-y,x-y-2,z+1/3 |
2_535 |
5 |
3 |
13709 |
38.2 |
0.7 |
0.789 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
13577 |
36.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.102 |
32 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
13612 |
35.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.102 |
33 |
|
[MG]D:403 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
13709 |
35.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.102 |
34 |
|
[MG]C:402 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
13738 |
35.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.102 |
| Average: |
35.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.102 |
| 24 |
35 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
13709 |
33.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.253 |
36 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
13612 |
33.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.253 |
37 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
13577 |
33.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.253 |
38 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
13738 |
33.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.253 |
| Average: |
33.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.253 |
| 25 |
39 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
[POP]D:401 |
x,y,z |
1_555 |
3 |
1 |
258 |
28.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.130 |
40 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
[POP]C:401 |
x,y,z |
1_555 |
4 |
1 |
258 |
27.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.130 |
41 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[POP]B:401 |
x,y,z |
1_555 |
4 |
1 |
260 |
26.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.130 |
| Average: |
27.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.130 |
| 26 |
42 |
|
[MG]B:402 |
1 |
1 |
98 |
◊ |
[POP]B:401 |
x,y,z |
1_555 |
2 |
1 |
260 |
27.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.085 |
43 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
[POP]A:401 |
x,y,z |
1_555 |
4 |
1 |
260 |
26.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
26.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.085 |
| 27 |
44 |
|
[MG]A:404 |
1 |
1 |
98 |
◊ |
[POP]A:401 |
x,y,z |
1_555 |
2 |
1 |
260 |
27.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.134 |
45 |
|
[MG]D:403 |
1 |
1 |
98 |
◊ |
[POP]D:401 |
x,y,z |
1_555 |
4 |
1 |
258 |
26.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.134 |
46 |
|
[MG]C:402 |
1 |
1 |
98 |
◊ |
[POP]C:401 |
x,y,z |
1_555 |
3 |
1 |
258 |
26.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.134 |
47 |
|
[MG]D:402 |
1 |
1 |
98 |
◊ |
[POP]D:401 |
x,y,z |
1_555 |
3 |
1 |
258 |
23.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.134 |
| Average: |
26.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.134 |
| 28 |
48 |
|
[MG]A:402 |
1 |
1 |
98 |
◊ |
[POP]A:401 |
x,y,z |
1_555 |
3 |
1 |
260 |
23.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.059 |
| 29 |
49 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[POP]B:401 |
x,y,z |
1_555 |
3 |
1 |
260 |
23.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.027 |
| 30 |
50 |
|
[MG]C:403 |
1 |
1 |
98 |
◊ |
[POP]C:401 |
x,y,z |
1_555 |
3 |
1 |
258 |
22.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.056 |
| 31 |
51 |
|
C |
3 |
1 |
13738 |
◊ |
D |
x-y-1,-y-1,-z-1/3 |
5_444 |
1 |
1 |
13709 |
14.1 |
0.2 |
0.362 |
0 |
0 |
0 |
0.000 |
| 32 |
52 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[MG]D:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| 33 |
53 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.100 |
| 34 |
54 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.031 |
| 35 |
55 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[MG]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 36 |
56 |
|
[JF1]D:405 |
2 |
1 |
397 |
◊ |
[MG]D:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.053 |
57 |
|
[JF1]A:405 |
2 |
1 |
396 |
◊ |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.053 |
58 |
|
[JF1]C:405 |
4 |
1 |
397 |
◊ |
[MG]C:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.053 |
59 |
|
[JF1]B:405 |
4 |
1 |
397 |
◊ |
[MG]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.053 |
60 |
|
[JF1]B:405 |
1 |
1 |
397 |
◊ |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.053 |
61 |
|
[JF1]C:405 |
2 |
1 |
397 |
◊ |
[MG]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.053 |
62 |
|
[JF1]A:405 |
2 |
1 |
396 |
◊ |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
9.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.053 |
| 37 |
63 |
|
[JF1]D:405 |
2 |
1 |
397 |
◊ |
[MG]D:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 38 |
64 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 39 |
65 |
|
[MG]C:404 |
1 |
1 |
98 |
◊ |
[MG]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 40 |
66 |
|
[MG]D:404 |
1 |
1 |
98 |
◊ |
[MG]D:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 41 |
67 |
|
[MG]A:404 |
1 |
1 |
98 |
◊ |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 42 |
68 |
|
[JF1]A:405 |
1 |
1 |
396 |
f |
[MG]A:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.011 |
69 |
|
[JF1]B:405 |
1 |
1 |
397 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.011 |
70 |
|
[JF1]C:405 |
1 |
1 |
397 |
f |
[MG]C:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.011 |
71 |
|
[JF1]D:405 |
1 |
1 |
397 |
f |
[MG]D:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.011 |
|