## |
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 |
|
E |
165 |
49 |
12292 |
◊ |
H |
x,y,z |
1_555 |
169 |
50 |
12863 |
1537.9 |
-17.3 |
0.210 |
23 |
0 |
0 |
0.528 |
2 |
2 |
|
G |
161 |
49 |
12405 |
◊ |
F |
x,y,z |
1_555 |
162 |
50 |
12554 |
1523.3 |
-17.3 |
0.220 |
24 |
0 |
0 |
0.470 |
3 |
|
D |
160 |
50 |
12463 |
◊ |
A |
x,y,z |
1_555 |
162 |
50 |
12627 |
1518.1 |
-17.5 |
0.223 |
25 |
0 |
0 |
0.470 |
Average: |
1520.7 |
-17.4 |
0.222 |
25 |
0 |
0 |
0.470 |
3 |
4 |
|
C |
160 |
50 |
12736 |
◊ |
B |
x,y,z |
1_555 |
158 |
49 |
12298 |
1515.8 |
-18.2 |
0.176 |
22 |
0 |
0 |
0.526 |
4 |
5 |
|
B |
139 |
36 |
12298 |
◊ |
A |
x,y,z |
1_555 |
138 |
35 |
12627 |
1268.9 |
-12.0 |
0.379 |
26 |
2 |
0 |
0.501 |
6 |
|
D |
138 |
35 |
12463 |
◊ |
C |
x,y,z |
1_555 |
136 |
35 |
12736 |
1221.5 |
-12.9 |
0.328 |
22 |
2 |
0 |
0.501 |
7 |
|
H |
131 |
35 |
12863 |
◊ |
G |
x,y,z |
1_555 |
130 |
34 |
12405 |
1209.4 |
-13.8 |
0.248 |
24 |
2 |
0 |
0.501 |
Average: |
1233.2 |
-12.9 |
0.318 |
24 |
2 |
0 |
0.501 |
5 |
8 |
|
E |
126 |
32 |
12292 |
◊ |
F |
x,y,z |
1_555 |
124 |
35 |
12554 |
1196.0 |
-11.9 |
0.296 |
24 |
2 |
0 |
0.401 |
6 |
9 |
|
D |
65 |
19 |
12463 |
◊ |
G |
x-1/2,y-1/2,z-1 |
3_444 |
64 |
18 |
12405 |
673.8 |
-3.3 |
0.626 |
4 |
2 |
0 |
0.000 |
7 |
10 |
|
[NAD]C:503 |
42 |
1 |
859 |
f |
C |
x,y,z |
1_555 |
71 |
27 |
12736 |
529.4 |
-4.9 |
0.536 |
9 |
0 |
0 |
0.351 |
11 |
|
[NAD]B:502 |
40 |
1 |
846 |
f |
B |
x,y,z |
1_555 |
75 |
27 |
12298 |
528.2 |
-3.5 |
0.666 |
10 |
0 |
0 |
0.351 |
12 |
|
[NAD]A:501 |
40 |
1 |
856 |
f |
A |
x,y,z |
1_555 |
74 |
28 |
12627 |
528.1 |
-4.0 |
0.601 |
9 |
0 |
0 |
0.351 |
13 |
|
[NAD]D:504 |
40 |
1 |
855 |
f |
D |
x,y,z |
1_555 |
73 |
28 |
12463 |
524.5 |
-3.3 |
0.695 |
10 |
0 |
0 |
0.351 |
14 |
|
[NAD]H:508 |
41 |
1 |
862 |
f |
H |
x,y,z |
1_555 |
80 |
28 |
12863 |
524.3 |
-3.8 |
0.596 |
9 |
0 |
0 |
0.351 |
15 |
|
[NAD]G:507 |
39 |
1 |
851 |
f |
G |
x,y,z |
1_555 |
74 |
28 |
12405 |
523.4 |
-3.3 |
0.684 |
11 |
0 |
0 |
0.351 |
16 |
|
[NAD]F:506 |
40 |
1 |
854 |
f |
F |
x,y,z |
1_555 |
67 |
27 |
12554 |
508.3 |
-3.7 |
0.549 |
11 |
0 |
0 |
0.351 |
Average: |
523.7 |
-3.8 |
0.618 |
10 |
0 |
0 |
0.351 |
8 |
17 |
|
[NAD]E:505 |
38 |
1 |
859 |
f |
E |
x,y,z |
1_555 |
71 |
28 |
12292 |
511.8 |
-3.8 |
0.582 |
9 |
0 |
0 |
0.150 |
9 |
18 |
|
F |
29 |
9 |
12554 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
12298 |
239.1 |
-2.0 |
0.500 |
2 |
0 |
0 |
0.000 |
10 |
19 |
|
C |
16 |
4 |
12736 |
◊ |
A |
-x+1,y,-z |
2_655 |
22 |
8 |
12627 |
177.5 |
0.6 |
0.509 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
E |
21 |
9 |
12292 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
4_646 |
18 |
5 |
12863 |
140.4 |
-1.8 |
0.424 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
A |
13 |
5 |
12627 |
◊ |
E |
x,y-1,z |
1_545 |
17 |
6 |
12292 |
139.2 |
-2.5 |
0.257 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
A |
18 |
5 |
12627 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
21 |
11 |
12463 |
138.3 |
-1.4 |
0.509 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
F |
11 |
3 |
12554 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
12627 |
135.7 |
0.2 |
0.410 |
4 |
0 |
0 |
0.000 |
15 |
24 |
|
B |
17 |
3 |
12298 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
19 |
4 |
12463 |
133.0 |
-0.7 |
0.613 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
B |
13 |
5 |
12298 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
18 |
5 |
12736 |
129.0 |
-2.0 |
0.355 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
E |
17 |
4 |
12292 |
◊ |
G |
-x+3/2,y-1/2,-z+1 |
4_646 |
18 |
3 |
12405 |
129.0 |
-0.3 |
0.650 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
D |
10 |
6 |
12463 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
5 |
12736 |
128.5 |
-0.3 |
0.537 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
E |
10 |
5 |
12292 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
12405 |
116.0 |
-3.5 |
0.058 |
0 |
0 |
0 |
0.036 |
20 |
29 |
|
C |
11 |
5 |
12736 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
12627 |
113.5 |
-2.1 |
0.225 |
0 |
0 |
0 |
0.026 |
30 |
|
D |
10 |
5 |
12463 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
12298 |
112.3 |
-2.3 |
0.174 |
0 |
0 |
0 |
0.026 |
Average: |
112.9 |
-2.2 |
0.200 |
0 |
0 |
0 |
0.026 |
21 |
31 |
|
H |
12 |
4 |
12863 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
12863 |
110.0 |
-0.3 |
0.603 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
C |
10 |
5 |
12736 |
◊ |
C |
-x+1,y,-z |
2_655 |
10 |
5 |
12736 |
105.8 |
-0.5 |
0.567 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
D |
12 |
4 |
12463 |
◊ |
H |
x-1/2,y-1/2,z-1 |
3_444 |
10 |
2 |
12863 |
96.5 |
0.5 |
0.769 |
2 |
0 |
0 |
0.000 |
34 |
|
C |
7 |
1 |
12736 |
◊ |
G |
x-1/2,y-1/2,z-1 |
3_444 |
5 |
2 |
12405 |
59.4 |
-0.3 |
0.578 |
1 |
0 |
0 |
0.000 |
Average: |
77.9 |
0.1 |
0.673 |
2 |
0 |
0 |
0.000 |
24 |
35 |
|
H |
11 |
4 |
12863 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
12 |
5 |
12554 |
88.5 |
-0.8 |
0.469 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
H |
6 |
3 |
12863 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
12554 |
86.3 |
-1.7 |
0.188 |
0 |
0 |
0 |
0.018 |
26 |
37 |
|
G |
9 |
4 |
12405 |
◊ |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
10 |
5 |
12292 |
75.6 |
0.8 |
0.760 |
1 |
0 |
0 |
0.000 |
27 |
38 |
|
[NAD]D:504 |
8 |
1 |
855 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
8 |
3 |
12736 |
75.4 |
-2.5 |
0.379 |
1 |
0 |
0 |
0.000 |
28 |
39 |
|
F |
4 |
2 |
12554 |
◊ |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
7 |
2 |
12292 |
69.9 |
-1.0 |
0.305 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
D |
9 |
5 |
12463 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
8 |
3 |
12298 |
68.3 |
1.0 |
0.818 |
2 |
4 |
0 |
0.000 |
30 |
41 |
|
[MG]A:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
12627 |
51.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.302 |
42 |
|
[MG]F:406 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
6 |
12554 |
50.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.302 |
43 |
|
[MG]G:402 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
6 |
5 |
12405 |
50.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.302 |
44 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
12298 |
49.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.302 |
45 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
12463 |
46.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.302 |
Average: |
49.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.302 |
31 |
46 |
|
[MG]E:403 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
4 |
12292 |
49.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.172 |
32 |
47 |
|
[NAD]H:508 |
7 |
1 |
862 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
12863 |
37.9 |
-0.5 |
0.553 |
1 |
0 |
0 |
0.000 |
33 |
48 |
|
B |
3 |
2 |
12298 |
◊ |
H |
-x+1,y-1,-z+1 |
2_646 |
2 |
2 |
12863 |
29.8 |
0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
G |
4 |
3 |
12405 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
4_646 |
3 |
2 |
12863 |
21.3 |
-0.3 |
0.506 |
0 |
0 |
0 |
0.000 |
35 |
50 |
|
A |
4 |
3 |
12627 |
◊ |
[MG]D:401 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
98 |
19.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[MG]B:404 |
1 |
1 |
98 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
2 |
2 |
12736 |
13.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[MG]E:403 |
1 |
1 |
98 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
4_646 |
3 |
3 |
12863 |
7.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
13.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
B |
2 |
2 |
12298 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
4 |
3 |
12292 |
15.0 |
0.7 |
0.837 |
0 |
0 |
0 |
0.000 |
37 |
54 |
|
[NAD]G:507 |
1 |
1 |
851 |
◊ |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
12292 |
8.5 |
-0.3 |
0.380 |
0 |
0 |
0 |
0.000 |
38 |
55 |
|
E |
2 |
2 |
12292 |
◊ |
C |
-x+1,y,-z |
2_655 |
2 |
2 |
12736 |
3.9 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
39 |
56 |
|
[NAD]G:507 |
1 |
1 |
851 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
4_646 |
1 |
1 |
12863 |
2.1 |
-0.1 |
0.485 |
0 |
0 |
0 |
0.000 |
|