## |
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 |
|
C |
366 |
93 |
11831 |
◊ |
A |
x,y,z |
1_555 |
370 |
91 |
11932 |
3556.7 |
-33.2 |
0.711 |
93 |
9 |
0 |
1.000 |
2 |
|
R |
379 |
94 |
11947 |
◊ |
P |
x,y,z |
1_555 |
363 |
91 |
11615 |
3553.6 |
-33.3 |
0.663 |
96 |
6 |
0 |
1.000 |
3 |
|
B |
362 |
91 |
11494 |
◊ |
A |
x,y,z |
1_555 |
373 |
93 |
11932 |
3523.0 |
-34.6 |
0.670 |
93 |
1 |
0 |
1.000 |
4 |
|
Q |
360 |
89 |
11513 |
◊ |
P |
x,y,z |
1_555 |
358 |
91 |
11615 |
3420.0 |
-30.9 |
0.715 |
92 |
6 |
0 |
1.000 |
5 |
|
C |
357 |
90 |
11831 |
◊ |
B |
x,y,z |
1_555 |
361 |
90 |
11494 |
3418.0 |
-31.8 |
0.698 |
93 |
7 |
0 |
1.000 |
6 |
|
R |
350 |
89 |
11947 |
◊ |
Q |
x,y,z |
1_555 |
356 |
89 |
11513 |
3417.5 |
-32.1 |
0.704 |
89 |
5 |
0 |
1.000 |
Average: |
3481.5 |
-32.7 |
0.694 |
93 |
6 |
0 |
1.000 |
2 |
7 |
|
C |
42 |
9 |
11831 |
◊ |
R |
x-1,y,z |
1_455 |
40 |
9 |
11947 |
367.8 |
-2.3 |
0.692 |
9 |
11 |
0 |
0.024 |
8 |
|
A |
22 |
7 |
11932 |
◊ |
Q |
x-1,y,z |
1_455 |
23 |
7 |
11513 |
204.9 |
-2.1 |
0.571 |
3 |
0 |
0 |
0.024 |
9 |
|
B |
12 |
4 |
11494 |
◊ |
P |
x-1,y,z |
1_455 |
9 |
3 |
11615 |
75.4 |
0.2 |
0.705 |
0 |
0 |
0 |
0.024 |
Average: |
216.0 |
-1.4 |
0.656 |
4 |
4 |
0 |
0.024 |
3 |
10 |
|
Q |
42 |
15 |
11513 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
10 |
11932 |
315.5 |
1.4 |
0.896 |
6 |
0 |
0 |
0.000 |
4 |
11 |
|
R |
34 |
14 |
11947 |
◊ |
B |
x-1,y,z-1 |
1_454 |
34 |
12 |
11494 |
253.2 |
-0.2 |
0.790 |
7 |
0 |
0 |
0.000 |
5 |
12 |
|
Q |
18 |
6 |
11513 |
◊ |
C |
x,y,z-1 |
1_554 |
19 |
7 |
11831 |
176.4 |
-1.0 |
0.636 |
3 |
0 |
0 |
0.000 |
6 |
13 |
|
P |
23 |
9 |
11615 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
11932 |
168.3 |
-1.0 |
0.610 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
R |
18 |
7 |
11947 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
11494 |
158.1 |
-1.1 |
0.620 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
R |
17 |
8 |
11947 |
◊ |
C |
x-1,y,z-1 |
1_454 |
19 |
6 |
11831 |
150.6 |
-1.4 |
0.586 |
2 |
0 |
0 |
0.000 |
16 |
|
P |
17 |
6 |
11615 |
◊ |
B |
x-1,y,z-1 |
1_454 |
19 |
8 |
11494 |
150.0 |
-1.3 |
0.589 |
2 |
0 |
0 |
0.000 |
Average: |
150.3 |
-1.4 |
0.588 |
2 |
0 |
0 |
0.000 |
9 |
17 |
|
P |
15 |
4 |
11615 |
◊ |
R |
-x+2,y-1/2,-z+1 |
2_746 |
20 |
5 |
11947 |
148.3 |
-1.2 |
0.615 |
1 |
0 |
0 |
0.000 |
10 |
18 |
|
Q |
11 |
4 |
11513 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
11932 |
128.8 |
-1.3 |
0.501 |
2 |
3 |
0 |
0.000 |
11 |
19 |
|
P |
15 |
6 |
11615 |
◊ |
C |
x-1,y,z-1 |
1_454 |
17 |
6 |
11831 |
127.4 |
-1.0 |
0.620 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
Q |
15 |
4 |
11513 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
18 |
9 |
11831 |
126.7 |
-0.9 |
0.664 |
2 |
0 |
0 |
0.000 |
13 |
21 |
|
P |
12 |
4 |
11615 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
13 |
6 |
11831 |
121.4 |
-2.5 |
0.312 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
Q |
18 |
9 |
11513 |
◊ |
R |
-x+2,y-1/2,-z+1 |
2_746 |
10 |
5 |
11947 |
115.8 |
0.2 |
0.757 |
1 |
1 |
0 |
0.000 |
15 |
23 |
|
P |
7 |
1 |
11615 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
6 |
11932 |
111.9 |
-0.5 |
0.490 |
2 |
0 |
0 |
0.000 |
16 |
24 |
|
Q |
15 |
5 |
11513 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
13 |
5 |
11932 |
109.1 |
-1.2 |
0.541 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
R |
13 |
5 |
11947 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
12 |
4 |
11932 |
106.8 |
0.3 |
0.750 |
2 |
0 |
0 |
0.000 |
18 |
26 |
|
P |
8 |
4 |
11615 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
11494 |
102.4 |
1.5 |
0.887 |
3 |
2 |
0 |
0.000 |
19 |
27 |
|
B |
13 |
4 |
11494 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
2 |
11932 |
101.6 |
-0.2 |
0.585 |
2 |
0 |
0 |
0.000 |
20 |
28 |
|
R |
10 |
6 |
11947 |
x |
R |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
6 |
11947 |
90.2 |
-1.0 |
0.558 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
B |
15 |
7 |
11494 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
9 |
4 |
11932 |
89.7 |
0.9 |
0.782 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
P |
8 |
6 |
11615 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
17 |
8 |
11932 |
88.2 |
1.5 |
0.885 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
Q |
13 |
6 |
11513 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
3 |
11494 |
87.6 |
-1.3 |
0.511 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
R |
8 |
3 |
11947 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
11831 |
83.6 |
0.2 |
0.737 |
0 |
1 |
0 |
0.000 |
25 |
33 |
|
Q |
12 |
4 |
11513 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11494 |
83.1 |
1.0 |
0.834 |
1 |
1 |
0 |
0.000 |
26 |
34 |
|
Q |
12 |
7 |
11513 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
11831 |
82.0 |
-0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
R |
14 |
3 |
11947 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
9 |
7 |
11831 |
78.3 |
0.9 |
0.806 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
R |
12 |
5 |
11947 |
◊ |
C |
x,y,z-1 |
1_554 |
9 |
6 |
11831 |
77.2 |
0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
B |
11 |
3 |
11494 |
◊ |
R |
x-1,y,z |
1_455 |
4 |
1 |
11947 |
73.2 |
-0.2 |
0.509 |
1 |
1 |
0 |
0.006 |
38 |
|
C |
4 |
1 |
11831 |
◊ |
Q |
x-1,y,z |
1_455 |
11 |
4 |
11513 |
65.5 |
-0.9 |
0.400 |
0 |
0 |
0 |
0.006 |
39 |
|
A |
4 |
1 |
11932 |
◊ |
P |
x-1,y,z |
1_455 |
10 |
4 |
11615 |
62.4 |
-1.0 |
0.316 |
0 |
0 |
0 |
0.006 |
Average: |
67.0 |
-0.7 |
0.408 |
0 |
0 |
0 |
0.006 |
30 |
40 |
|
R |
8 |
4 |
11947 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
3 |
11494 |
72.3 |
0.1 |
0.704 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
R |
5 |
2 |
11947 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11932 |
66.8 |
1.9 |
0.867 |
4 |
0 |
0 |
0.000 |
32 |
42 |
|
Q |
6 |
2 |
11513 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
11831 |
66.7 |
-0.7 |
0.480 |
1 |
0 |
0 |
0.000 |
33 |
43 |
|
P |
3 |
1 |
11615 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
3 |
11831 |
62.7 |
2.6 |
0.943 |
3 |
0 |
0 |
0.000 |
34 |
44 |
|
B |
6 |
3 |
11494 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
3 |
11831 |
59.8 |
-0.8 |
0.497 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
P |
13 |
6 |
11615 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
11831 |
59.3 |
0.4 |
0.769 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
P |
9 |
4 |
11615 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
2 |
11494 |
59.0 |
-0.2 |
0.609 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
P |
5 |
1 |
11615 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
2 |
11932 |
56.8 |
0.3 |
0.627 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
R |
4 |
2 |
11947 |
◊ |
Q |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
4 |
11513 |
55.4 |
1.8 |
0.881 |
3 |
0 |
0 |
0.000 |
39 |
49 |
|
R |
4 |
2 |
11947 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
11494 |
52.4 |
1.0 |
0.631 |
1 |
0 |
0 |
0.000 |
40 |
50 |
|
C |
4 |
2 |
11831 |
x |
C |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
2 |
11831 |
44.5 |
1.2 |
0.887 |
2 |
1 |
0 |
0.000 |
41 |
51 |
|
B |
6 |
1 |
11494 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
2 |
11494 |
41.0 |
0.1 |
0.681 |
1 |
0 |
0 |
0.000 |
42 |
52 |
|
[FE2]P:135 |
1 |
1 |
137 |
◊ |
R |
x,y,z |
1_555 |
6 |
3 |
11947 |
37.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.056 |
53 |
|
[FE2]A:135 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11494 |
37.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.056 |
54 |
|
[FE2]P:135 |
1 |
1 |
137 |
◊ |
P |
x,y,z |
1_555 |
6 |
3 |
11615 |
37.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.056 |
55 |
|
[FE2]A:135 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11831 |
37.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.056 |
56 |
|
[FE2]A:135 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11932 |
37.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.056 |
57 |
|
[FE2]P:135 |
1 |
1 |
137 |
◊ |
Q |
x,y,z |
1_555 |
7 |
3 |
11513 |
36.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
37.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.056 |
43 |
58 |
|
[CL]A:136 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11494 |
37.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.050 |
59 |
|
[CL]P:137 |
1 |
1 |
125 |
◊ |
Q |
x,y,z |
1_555 |
10 |
4 |
11513 |
37.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.050 |
60 |
|
[CL]A:136 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11932 |
37.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.050 |
61 |
|
[CL]P:137 |
1 |
1 |
125 |
◊ |
R |
x,y,z |
1_555 |
9 |
4 |
11947 |
37.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.050 |
62 |
|
[CL]A:136 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
11831 |
34.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.050 |
63 |
|
[CL]P:137 |
1 |
1 |
125 |
◊ |
P |
x,y,z |
1_555 |
7 |
3 |
11615 |
34.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
36.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.050 |
44 |
64 |
|
Q |
2 |
2 |
11513 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
11494 |
33.1 |
-1.1 |
0.253 |
0 |
0 |
0 |
0.000 |
45 |
65 |
|
P |
3 |
1 |
11615 |
x |
P |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
11615 |
32.5 |
0.1 |
0.417 |
0 |
0 |
0 |
0.000 |
46 |
66 |
|
Q |
6 |
4 |
11513 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
11932 |
31.3 |
-0.4 |
0.572 |
0 |
0 |
0 |
0.000 |
47 |
67 |
|
B |
3 |
2 |
11494 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
11831 |
26.1 |
-0.6 |
0.362 |
0 |
0 |
0 |
0.000 |
48 |
68 |
|
Q |
3 |
2 |
11513 |
x |
Q |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
11513 |
25.7 |
0.5 |
0.579 |
0 |
0 |
0 |
0.000 |
49 |
69 |
|
Q |
3 |
1 |
11513 |
◊ |
B |
-x+3,y-1/2,-z+2 |
2_847 |
7 |
3 |
11494 |
24.4 |
-0.4 |
0.545 |
0 |
0 |
0 |
0.000 |
50 |
70 |
|
[CA]P:136 |
1 |
1 |
85 |
◊ |
Q |
x,y,z |
1_555 |
5 |
2 |
11513 |
24.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
71 |
|
[CA]C:135 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11932 |
24.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
72 |
|
[CA]C:135 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11494 |
24.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
73 |
|
[CA]P:136 |
1 |
1 |
85 |
◊ |
R |
x,y,z |
1_555 |
5 |
2 |
11947 |
24.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.044 |
74 |
|
[CA]C:135 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11831 |
23.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
75 |
|
[CA]P:136 |
1 |
1 |
85 |
◊ |
P |
x,y,z |
1_555 |
5 |
2 |
11615 |
22.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
23.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.044 |
51 |
76 |
|
C |
4 |
2 |
11831 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
2 |
11932 |
23.0 |
0.6 |
0.690 |
0 |
0 |
0 |
0.000 |
52 |
77 |
|
P |
3 |
1 |
11615 |
◊ |
Q |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
3 |
11513 |
21.2 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
53 |
78 |
|
A |
1 |
1 |
11932 |
x |
A |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
11932 |
20.3 |
0.0 |
0.415 |
0 |
0 |
0 |
0.000 |
54 |
79 |
|
R |
3 |
2 |
11947 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
11932 |
15.4 |
-0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
55 |
80 |
|
R |
2 |
1 |
11947 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
11932 |
15.2 |
-0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
56 |
81 |
|
Q |
3 |
3 |
11513 |
◊ |
P |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
11615 |
12.5 |
0.1 |
0.645 |
0 |
0 |
0 |
0.000 |
57 |
82 |
|
[CA]P:136 |
1 |
1 |
85 |
f |
[CL]P:137 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.100 |
58 |
83 |
|
[CA]C:135 |
1 |
1 |
85 |
f |
[CL]A:136 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.100 |
59 |
84 |
|
P |
2 |
1 |
11615 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
11494 |
8.2 |
-0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
60 |
85 |
|
R |
2 |
1 |
11947 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
11831 |
6.3 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
61 |
86 |
|
P |
1 |
1 |
11615 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
11831 |
5.3 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
62 |
87 |
|
R |
1 |
1 |
11947 |
◊ |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
11932 |
1.9 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
88 |
|
Q |
1 |
1 |
11513 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
11494 |
0.4 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
Average: |
1.2 |
0.1 |
0.669 |
0 |
0 |
0 |
0.000 |
63 |
89 |
|
C |
1 |
1 |
11831 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
11494 |
1.5 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
64 |
90 |
|
P |
1 |
1 |
11615 |
◊ |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
11932 |
0.4 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
|