## |
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 |
|
F |
106 |
30 |
8500 |
◊ |
C |
x,y,z |
1_555 |
108 |
30 |
8728 |
1026.5 |
-11.8 |
0.224 |
13 |
0 |
0 |
0.315 |
2 |
|
E |
107 |
30 |
8513 |
◊ |
B |
x,y,z |
1_555 |
106 |
28 |
8597 |
996.8 |
-12.9 |
0.167 |
14 |
0 |
0 |
0.315 |
3 |
|
D |
102 |
30 |
8570 |
◊ |
A |
x,y,z |
1_555 |
104 |
31 |
8519 |
991.6 |
-11.5 |
0.216 |
16 |
1 |
0 |
0.315 |
Average: |
1005.0 |
-12.1 |
0.202 |
14 |
0 |
0 |
0.315 |
2 |
4 |
|
B |
83 |
21 |
8597 |
◊ |
A |
x,y,z |
1_555 |
86 |
25 |
8519 |
802.8 |
-6.3 |
0.422 |
5 |
0 |
0 |
0.277 |
5 |
|
C |
80 |
20 |
8728 |
◊ |
B |
x,y,z |
1_555 |
83 |
25 |
8597 |
777.5 |
-6.3 |
0.400 |
6 |
0 |
0 |
0.277 |
6 |
|
F |
85 |
25 |
8500 |
◊ |
E |
x,y,z |
1_555 |
87 |
21 |
8513 |
775.4 |
-5.7 |
0.464 |
6 |
0 |
0 |
0.277 |
7 |
|
C |
81 |
23 |
8728 |
◊ |
A |
x,y,z |
1_555 |
86 |
21 |
8519 |
774.3 |
-6.5 |
0.391 |
5 |
0 |
0 |
0.277 |
8 |
|
E |
88 |
25 |
8513 |
◊ |
D |
x,y,z |
1_555 |
85 |
22 |
8570 |
774.0 |
-6.2 |
0.426 |
5 |
0 |
0 |
0.277 |
9 |
|
F |
82 |
21 |
8500 |
◊ |
D |
x,y,z |
1_555 |
85 |
25 |
8570 |
757.8 |
-6.2 |
0.437 |
5 |
0 |
0 |
0.277 |
Average: |
777.0 |
-6.2 |
0.423 |
5 |
0 |
0 |
0.277 |
3 |
10 |
|
B |
57 |
14 |
8597 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
51 |
18 |
8728 |
491.9 |
1.6 |
0.804 |
7 |
4 |
0 |
0.000 |
4 |
11 |
|
[GDP]B:160 |
28 |
1 |
539 |
f |
B |
x,y,z |
1_555 |
50 |
18 |
8597 |
368.0 |
-6.6 |
0.483 |
6 |
0 |
0 |
0.311 |
12 |
|
[GDP]A:160 |
28 |
1 |
544 |
f |
A |
x,y,z |
1_555 |
49 |
19 |
8519 |
365.2 |
-6.7 |
0.501 |
6 |
0 |
0 |
0.311 |
13 |
|
[GDP]E:160 |
28 |
1 |
535 |
f |
E |
x,y,z |
1_555 |
46 |
16 |
8513 |
359.5 |
-6.5 |
0.474 |
6 |
0 |
0 |
0.311 |
14 |
|
[GDP]D:160 |
28 |
1 |
537 |
f |
D |
x,y,z |
1_555 |
44 |
16 |
8570 |
358.7 |
-6.5 |
0.464 |
6 |
0 |
0 |
0.311 |
15 |
|
[GDP]F:160 |
28 |
1 |
537 |
f |
F |
x,y,z |
1_555 |
48 |
17 |
8500 |
351.7 |
-6.0 |
0.515 |
5 |
0 |
0 |
0.311 |
16 |
|
[GDP]C:160 |
28 |
1 |
541 |
f |
C |
x,y,z |
1_555 |
50 |
18 |
8728 |
348.6 |
-6.7 |
0.443 |
6 |
0 |
0 |
0.311 |
Average: |
358.6 |
-6.5 |
0.480 |
6 |
0 |
0 |
0.311 |
5 |
17 |
|
A |
27 |
9 |
8519 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
10 |
8597 |
262.5 |
-0.9 |
0.609 |
5 |
3 |
0 |
0.000 |
18 |
|
D |
31 |
8 |
8570 |
◊ |
E |
x-1,y,z |
1_455 |
27 |
8 |
8513 |
248.8 |
-0.8 |
0.605 |
4 |
3 |
0 |
0.000 |
Average: |
255.6 |
-0.9 |
0.607 |
5 |
3 |
0 |
0.000 |
6 |
19 |
|
A |
24 |
10 |
8519 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
31 |
11 |
8728 |
244.0 |
-3.2 |
0.292 |
0 |
0 |
0 |
0.000 |
7 |
20 |
|
D |
22 |
5 |
8570 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
7 |
8513 |
209.4 |
1.6 |
0.817 |
3 |
5 |
0 |
0.000 |
8 |
21 |
|
C |
18 |
5 |
8728 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
19 |
7 |
8500 |
166.6 |
-0.8 |
0.561 |
0 |
1 |
0 |
0.000 |
9 |
22 |
|
D |
13 |
5 |
8570 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
8597 |
109.5 |
-2.4 |
0.175 |
0 |
0 |
0 |
0.050 |
23 |
|
E |
14 |
5 |
8513 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
8728 |
108.8 |
-4.3 |
0.043 |
1 |
0 |
0 |
0.050 |
24 |
|
F |
9 |
3 |
8500 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8519 |
101.9 |
-4.7 |
0.020 |
2 |
0 |
0 |
0.050 |
Average: |
106.7 |
-3.8 |
0.079 |
1 |
0 |
0 |
0.050 |
10 |
25 |
|
[DTT]F:162 |
6 |
1 |
296 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
8513 |
105.4 |
-3.7 |
0.185 |
1 |
0 |
0 |
0.016 |
11 |
26 |
|
[DTT]B:162 |
6 |
1 |
301 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8597 |
99.8 |
-3.2 |
0.195 |
1 |
0 |
0 |
0.057 |
12 |
27 |
|
B |
7 |
2 |
8597 |
◊ |
[GDP]C:160 |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
1 |
541 |
94.6 |
-2.5 |
0.524 |
2 |
0 |
0 |
0.000 |
13 |
28 |
|
[DTT]B:162 |
6 |
1 |
301 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
8513 |
75.9 |
-1.3 |
0.525 |
0 |
0 |
0 |
0.021 |
14 |
29 |
|
[DTT]F:162 |
7 |
1 |
296 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
8597 |
68.1 |
-0.0 |
0.647 |
1 |
0 |
0 |
0.005 |
15 |
30 |
|
[DTT]B:162 |
4 |
1 |
301 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
8570 |
65.8 |
-2.9 |
0.213 |
0 |
0 |
0 |
0.012 |
16 |
31 |
|
[DTT]F:162 |
4 |
1 |
296 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
8728 |
57.0 |
-3.8 |
0.091 |
1 |
0 |
0 |
0.070 |
17 |
32 |
|
[MG]C:161 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
8728 |
53.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.191 |
33 |
|
[MG]D:161 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
8570 |
52.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.191 |
34 |
|
[MG]F:161 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
8500 |
52.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.191 |
35 |
|
[MG]B:161 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8597 |
49.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.191 |
36 |
|
[MG]A:161 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8519 |
48.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.191 |
37 |
|
[MG]E:161 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
8513 |
45.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.191 |
Average: |
50.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.191 |
18 |
38 |
|
[DTT]F:162 |
5 |
1 |
296 |
◊ |
F |
x,y,z |
1_555 |
10 |
2 |
8500 |
52.7 |
0.4 |
0.744 |
0 |
0 |
0 |
0.000 |
19 |
39 |
|
[DTT]B:162 |
6 |
1 |
301 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
8519 |
39.6 |
0.5 |
0.727 |
0 |
0 |
0 |
0.000 |
20 |
40 |
|
A |
2 |
1 |
8519 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
3 |
8597 |
36.5 |
-0.4 |
0.419 |
0 |
0 |
0 |
0.000 |
21 |
41 |
|
F |
6 |
3 |
8500 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
8513 |
36.1 |
0.3 |
0.667 |
0 |
0 |
0 |
0.000 |
22 |
42 |
|
[GDP]A:160 |
4 |
1 |
544 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
8728 |
35.7 |
-0.2 |
0.526 |
0 |
0 |
0 |
0.000 |
23 |
43 |
|
[GDP]E:160 |
3 |
1 |
535 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8570 |
35.3 |
0.7 |
0.754 |
1 |
0 |
0 |
0.000 |
44 |
|
[GDP]F:160 |
3 |
1 |
537 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
8513 |
35.0 |
0.7 |
0.739 |
1 |
0 |
0 |
0.000 |
45 |
|
[GDP]D:160 |
3 |
1 |
537 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
8500 |
33.7 |
0.7 |
0.753 |
1 |
0 |
0 |
0.000 |
46 |
|
[GDP]B:160 |
3 |
1 |
539 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8728 |
33.1 |
0.7 |
0.746 |
1 |
0 |
0 |
0.000 |
47 |
|
[GDP]C:160 |
3 |
1 |
541 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
8519 |
33.0 |
0.5 |
0.706 |
1 |
0 |
0 |
0.000 |
48 |
|
[GDP]A:160 |
3 |
1 |
544 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
8597 |
30.5 |
0.4 |
0.674 |
1 |
0 |
0 |
0.000 |
Average: |
33.4 |
0.6 |
0.729 |
1 |
0 |
0 |
0.000 |
24 |
49 |
|
[MG]A:161 |
1 |
1 |
98 |
f |
[GDP]A:160 |
x,y,z |
1_555 |
4 |
1 |
544 |
35.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.183 |
50 |
|
[MG]B:161 |
1 |
1 |
98 |
f |
[GDP]B:160 |
x,y,z |
1_555 |
3 |
1 |
539 |
34.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.183 |
51 |
|
[MG]D:161 |
1 |
1 |
98 |
f |
[GDP]D:160 |
x,y,z |
1_555 |
3 |
1 |
537 |
33.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.183 |
52 |
|
[MG]F:161 |
1 |
1 |
98 |
f |
[GDP]F:160 |
x,y,z |
1_555 |
3 |
1 |
537 |
33.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.183 |
53 |
|
[MG]C:161 |
1 |
1 |
98 |
f |
[GDP]C:160 |
x,y,z |
1_555 |
3 |
1 |
541 |
32.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.183 |
54 |
|
[MG]E:161 |
1 |
1 |
98 |
f |
[GDP]E:160 |
x,y,z |
1_555 |
3 |
1 |
535 |
32.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.183 |
Average: |
33.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.183 |
25 |
55 |
|
D |
3 |
2 |
8570 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
8500 |
16.9 |
0.4 |
0.772 |
0 |
0 |
0 |
0.000 |
26 |
56 |
|
B |
2 |
1 |
8597 |
◊ |
[MG]C:161 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
6.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
57 |
|
D |
1 |
1 |
8570 |
x |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
8570 |
1.3 |
0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
|