## |
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 |
|
G |
452 |
119 |
18320 |
◊ |
B |
x,y,z |
1_555 |
452 |
121 |
18297 |
4286.4 |
-44.9 |
0.017 |
69 |
19 |
0 |
0.628 |
2 |
|
I |
447 |
120 |
18406 |
◊ |
E |
x,y,z |
1_555 |
446 |
118 |
18226 |
4249.5 |
-45.8 |
0.013 |
64 |
20 |
0 |
0.628 |
3 |
|
J |
447 |
116 |
18325 |
◊ |
D |
x,y,z |
1_555 |
443 |
120 |
18233 |
4243.4 |
-44.4 |
0.020 |
66 |
20 |
0 |
0.628 |
4 |
|
F |
444 |
124 |
18084 |
◊ |
C |
x,y,z |
1_555 |
445 |
118 |
18140 |
4235.8 |
-44.9 |
0.032 |
68 |
19 |
0 |
0.628 |
5 |
|
H |
442 |
117 |
18079 |
◊ |
A |
x,y,z |
1_555 |
442 |
119 |
17944 |
4193.4 |
-45.9 |
0.051 |
70 |
19 |
0 |
0.628 |
Average: |
4241.7 |
-45.2 |
0.027 |
67 |
19 |
0 |
0.628 |
2 |
6 |
|
J |
65 |
20 |
18325 |
◊ |
C |
x,y,z |
1_555 |
68 |
20 |
18140 |
652.8 |
1.7 |
0.850 |
14 |
20 |
0 |
0.053 |
7 |
|
F |
70 |
19 |
18084 |
◊ |
B |
x,y,z |
1_555 |
67 |
19 |
18297 |
647.7 |
0.9 |
0.814 |
14 |
20 |
0 |
0.053 |
8 |
|
G |
69 |
19 |
18320 |
◊ |
A |
x,y,z |
1_555 |
64 |
18 |
17944 |
641.8 |
2.7 |
0.912 |
13 |
19 |
0 |
0.053 |
9 |
|
H |
66 |
19 |
18079 |
◊ |
E |
x,y,z |
1_555 |
67 |
20 |
18226 |
627.3 |
1.8 |
0.858 |
14 |
20 |
0 |
0.053 |
10 |
|
I |
66 |
19 |
18406 |
◊ |
D |
x,y,z |
1_555 |
65 |
19 |
18233 |
621.8 |
1.0 |
0.811 |
14 |
21 |
0 |
0.053 |
Average: |
638.3 |
1.6 |
0.849 |
14 |
20 |
0 |
0.053 |
3 |
11 |
|
[CAP]H:600 |
20 |
1 |
484 |
f |
H |
x,y,z |
1_555 |
50 |
22 |
18079 |
295.5 |
-5.0 |
0.679 |
17 |
0 |
0 |
0.213 |
12 |
|
[CAP]E:600 |
20 |
1 |
485 |
f |
E |
x,y,z |
1_555 |
51 |
23 |
18226 |
292.2 |
-5.1 |
0.645 |
20 |
0 |
0 |
0.213 |
13 |
|
[CAP]G:600 |
20 |
1 |
485 |
f |
G |
x,y,z |
1_555 |
52 |
24 |
18320 |
289.7 |
-5.1 |
0.609 |
18 |
0 |
0 |
0.213 |
14 |
|
[CAP]D:600 |
20 |
1 |
485 |
f |
D |
x,y,z |
1_555 |
51 |
24 |
18233 |
289.1 |
-5.0 |
0.644 |
18 |
0 |
0 |
0.213 |
15 |
|
[CAP]J:600 |
20 |
1 |
481 |
f |
J |
x,y,z |
1_555 |
50 |
23 |
18325 |
288.6 |
-5.4 |
0.602 |
17 |
0 |
0 |
0.213 |
16 |
|
[CAP]C:600 |
20 |
1 |
483 |
f |
C |
x,y,z |
1_555 |
52 |
24 |
18140 |
286.8 |
-5.0 |
0.630 |
19 |
0 |
0 |
0.213 |
17 |
|
[CAP]I:600 |
20 |
1 |
481 |
f |
I |
x,y,z |
1_555 |
52 |
23 |
18406 |
286.0 |
-5.0 |
0.624 |
18 |
0 |
0 |
0.213 |
18 |
|
[CAP]F:600 |
20 |
1 |
483 |
f |
F |
x,y,z |
1_555 |
49 |
23 |
18084 |
285.7 |
-5.1 |
0.630 |
18 |
0 |
0 |
0.213 |
19 |
|
[CAP]B:600 |
20 |
1 |
482 |
f |
B |
x,y,z |
1_555 |
49 |
22 |
18297 |
285.0 |
-4.9 |
0.629 |
18 |
0 |
0 |
0.213 |
20 |
|
[CAP]A:600 |
20 |
1 |
476 |
f |
A |
x,y,z |
1_555 |
51 |
24 |
17944 |
284.5 |
-4.6 |
0.686 |
17 |
0 |
0 |
0.213 |
Average: |
288.3 |
-5.0 |
0.638 |
18 |
0 |
0 |
0.213 |
4 |
21 |
|
B |
28 |
8 |
18297 |
◊ |
I |
x,y,z-1 |
1_554 |
28 |
9 |
18406 |
249.7 |
-0.7 |
0.566 |
3 |
2 |
0 |
0.000 |
5 |
22 |
|
J |
30 |
8 |
18325 |
◊ |
F |
x,y,z |
1_555 |
25 |
7 |
18084 |
237.2 |
-0.5 |
0.540 |
4 |
5 |
0 |
0.049 |
23 |
|
J |
27 |
8 |
18325 |
◊ |
I |
x,y,z |
1_555 |
30 |
8 |
18406 |
231.5 |
-1.2 |
0.454 |
4 |
3 |
0 |
0.049 |
24 |
|
C |
27 |
8 |
18140 |
◊ |
B |
x,y,z |
1_555 |
32 |
8 |
18297 |
231.3 |
-1.4 |
0.435 |
4 |
3 |
0 |
0.049 |
25 |
|
E |
27 |
8 |
18226 |
◊ |
D |
x,y,z |
1_555 |
34 |
9 |
18233 |
227.6 |
-1.9 |
0.396 |
2 |
4 |
0 |
0.049 |
26 |
|
D |
26 |
8 |
18233 |
◊ |
C |
x,y,z |
1_555 |
31 |
8 |
18140 |
225.7 |
-1.1 |
0.472 |
4 |
4 |
0 |
0.049 |
27 |
|
B |
26 |
8 |
18297 |
◊ |
A |
x,y,z |
1_555 |
34 |
9 |
17944 |
224.5 |
-1.3 |
0.468 |
2 |
4 |
0 |
0.049 |
28 |
|
H |
25 |
8 |
18079 |
◊ |
G |
x,y,z |
1_555 |
31 |
8 |
18320 |
224.0 |
-1.6 |
0.437 |
3 |
3 |
0 |
0.049 |
29 |
|
I |
26 |
8 |
18406 |
◊ |
H |
x,y,z |
1_555 |
30 |
8 |
18079 |
221.4 |
-2.0 |
0.387 |
3 |
4 |
0 |
0.049 |
30 |
|
E |
33 |
8 |
18226 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
17944 |
218.2 |
-2.2 |
0.370 |
3 |
4 |
0 |
0.049 |
31 |
|
G |
26 |
8 |
18320 |
◊ |
F |
x,y,z |
1_555 |
31 |
7 |
18084 |
218.2 |
-2.0 |
0.360 |
2 |
3 |
0 |
0.049 |
Average: |
226.0 |
-1.5 |
0.432 |
3 |
4 |
0 |
0.049 |
6 |
32 |
|
G |
21 |
8 |
18320 |
◊ |
I |
x-1,y,z-1 |
1_454 |
26 |
12 |
18406 |
169.9 |
1.0 |
0.764 |
2 |
2 |
0 |
0.000 |
33 |
|
B |
20 |
8 |
18297 |
◊ |
D |
x-1,y,z-1 |
1_454 |
27 |
12 |
18233 |
167.8 |
1.1 |
0.776 |
2 |
2 |
0 |
0.000 |
Average: |
168.8 |
1.1 |
0.770 |
2 |
2 |
0 |
0.000 |
7 |
34 |
|
E |
15 |
5 |
18226 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
5 |
18140 |
151.7 |
-0.5 |
0.571 |
2 |
0 |
0 |
0.000 |
35 |
|
H |
20 |
5 |
18079 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
5 |
18325 |
150.6 |
-0.7 |
0.558 |
2 |
0 |
0 |
0.000 |
Average: |
151.1 |
-0.6 |
0.565 |
2 |
0 |
0 |
0.000 |
8 |
36 |
|
A |
16 |
9 |
17944 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
18 |
7 |
18084 |
138.9 |
-0.8 |
0.557 |
2 |
0 |
0 |
0.000 |
9 |
37 |
|
F |
13 |
6 |
18084 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
3 |
18233 |
101.2 |
-0.5 |
0.508 |
0 |
0 |
0 |
0.000 |
38 |
|
G |
8 |
2 |
18320 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
4 |
18140 |
89.1 |
-0.3 |
0.568 |
1 |
0 |
0 |
0.000 |
Average: |
95.2 |
-0.4 |
0.538 |
1 |
0 |
0 |
0.000 |
10 |
39 |
|
[CAP]G:600 |
12 |
1 |
485 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
18297 |
97.9 |
-1.0 |
0.778 |
2 |
0 |
0 |
0.034 |
40 |
|
[CAP]D:600 |
12 |
1 |
485 |
◊ |
J |
x,y,z |
1_555 |
13 |
4 |
18325 |
97.8 |
-1.0 |
0.789 |
3 |
0 |
0 |
0.034 |
41 |
|
[CAP]B:600 |
12 |
1 |
482 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
18320 |
97.4 |
-1.1 |
0.773 |
2 |
0 |
0 |
0.034 |
42 |
|
[CAP]F:600 |
13 |
1 |
483 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
18140 |
96.9 |
-1.1 |
0.799 |
3 |
0 |
0 |
0.034 |
43 |
|
[CAP]C:600 |
12 |
1 |
483 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
18084 |
96.5 |
-1.0 |
0.781 |
2 |
0 |
0 |
0.034 |
44 |
|
[CAP]I:600 |
12 |
1 |
481 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
18226 |
96.5 |
-0.9 |
0.795 |
3 |
0 |
0 |
0.034 |
45 |
|
[CAP]E:600 |
12 |
1 |
485 |
◊ |
I |
x,y,z |
1_555 |
11 |
4 |
18406 |
96.3 |
-1.0 |
0.789 |
2 |
0 |
0 |
0.034 |
46 |
|
[CAP]J:600 |
12 |
1 |
481 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
18233 |
96.2 |
-1.0 |
0.785 |
2 |
0 |
0 |
0.034 |
47 |
|
[CAP]A:600 |
12 |
1 |
476 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
18079 |
96.0 |
-1.0 |
0.785 |
3 |
0 |
0 |
0.034 |
48 |
|
[CAP]H:600 |
12 |
1 |
484 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
17944 |
93.3 |
-0.9 |
0.819 |
2 |
0 |
0 |
0.034 |
Average: |
96.5 |
-1.0 |
0.789 |
2 |
0 |
0 |
0.034 |
11 |
49 |
|
E |
11 |
5 |
18226 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
18325 |
96.5 |
-0.6 |
0.505 |
0 |
0 |
0 |
0.000 |
12 |
50 |
|
[MG]H:500 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
18079 |
32.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.077 |
51 |
|
[MG]J:500 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
10 |
7 |
18325 |
31.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.077 |
52 |
|
[MG]I:500 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
8 |
6 |
18406 |
30.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.077 |
53 |
|
[MG]B:500 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
18297 |
30.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.077 |
54 |
|
[MG]F:500 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
18084 |
30.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.077 |
55 |
|
[MG]C:500 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
18140 |
30.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.077 |
56 |
|
[MG]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
17944 |
30.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.077 |
57 |
|
[MG]E:500 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
18226 |
30.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.077 |
58 |
|
[MG]G:500 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
18320 |
30.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.077 |
59 |
|
[MG]D:500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
18233 |
30.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
30.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.077 |
13 |
60 |
|
[CAP]H:600 |
4 |
1 |
484 |
f |
[MG]H:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.055 |
61 |
|
[CAP]B:600 |
3 |
1 |
482 |
f |
[MG]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.055 |
62 |
|
[CAP]E:600 |
3 |
1 |
485 |
f |
[MG]E:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.055 |
63 |
|
[CAP]D:600 |
3 |
1 |
485 |
f |
[MG]D:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.055 |
64 |
|
[CAP]J:600 |
3 |
1 |
481 |
f |
[MG]J:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.055 |
65 |
|
[CAP]G:600 |
3 |
1 |
485 |
f |
[MG]G:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.055 |
66 |
|
[CAP]I:600 |
3 |
1 |
481 |
f |
[MG]I:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.055 |
67 |
|
[CAP]F:600 |
3 |
1 |
483 |
f |
[MG]F:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.055 |
68 |
|
[CAP]A:600 |
3 |
1 |
476 |
f |
[MG]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.055 |
69 |
|
[CAP]C:600 |
3 |
1 |
483 |
f |
[MG]C:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
28.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.055 |
14 |
70 |
|
[MG]A:500 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
18079 |
13.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
71 |
|
[MG]G:500 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18297 |
13.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
72 |
|
[MG]C:500 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
18084 |
13.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
73 |
|
[MG]J:500 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
18233 |
12.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
74 |
|
[MG]F:500 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18140 |
12.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
75 |
|
[MG]I:500 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
18226 |
12.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
76 |
|
[MG]E:500 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
18406 |
12.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
77 |
|
[MG]B:500 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
18320 |
12.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
78 |
|
[MG]D:500 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
18325 |
12.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
79 |
|
[MG]H:500 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17944 |
10.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
12.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
|