## |
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 |
477 |
117 |
24041 |
◊ |
A |
x,y,z |
1_555 |
463 |
129 |
19859 |
4396.0 |
-55.0 |
0.010 |
54 |
18 |
0 |
0.534 |
2 |
|
D |
476 |
117 |
24258 |
◊ |
C |
x,y,z |
1_555 |
460 |
127 |
19584 |
4393.7 |
-53.7 |
0.014 |
56 |
19 |
0 |
0.534 |
Average: |
4394.8 |
-54.3 |
0.012 |
55 |
19 |
0 |
0.534 |
2 |
3 |
|
D |
318 |
80 |
24258 |
◊ |
B |
x,y,z |
1_555 |
317 |
80 |
24041 |
2863.4 |
-23.7 |
0.332 |
44 |
27 |
0 |
0.892 |
3 |
4 |
|
D |
144 |
36 |
24258 |
◊ |
A |
x,y,z |
1_555 |
150 |
39 |
19859 |
1276.7 |
-17.4 |
0.108 |
15 |
6 |
0 |
0.346 |
5 |
|
B |
141 |
36 |
24041 |
◊ |
C |
x,y,z |
1_555 |
152 |
39 |
19584 |
1275.4 |
-17.7 |
0.114 |
14 |
6 |
0 |
0.346 |
Average: |
1276.0 |
-17.6 |
0.111 |
15 |
6 |
0 |
0.346 |
4 |
6 |
|
C |
36 |
10 |
19584 |
◊ |
B |
x,y,z-1 |
1_554 |
38 |
9 |
24041 |
338.4 |
-1.5 |
0.558 |
3 |
4 |
0 |
0.000 |
7 |
|
D |
34 |
8 |
24258 |
◊ |
A |
x,y,z-1 |
1_554 |
38 |
10 |
19859 |
327.9 |
-1.6 |
0.519 |
3 |
4 |
0 |
0.000 |
Average: |
333.1 |
-1.5 |
0.539 |
3 |
4 |
0 |
0.000 |
5 |
8 |
|
C |
43 |
16 |
19584 |
◊ |
A |
x,y,z-1 |
1_554 |
42 |
16 |
19859 |
318.1 |
5.8 |
0.968 |
3 |
2 |
0 |
0.000 |
6 |
9 |
|
[ICG]A:502 |
17 |
1 |
489 |
f |
A |
x,y,z |
1_555 |
49 |
18 |
19859 |
315.4 |
-18.4 |
0.759 |
5 |
0 |
0 |
0.287 |
10 |
|
[ICG]C:502 |
17 |
1 |
489 |
f |
C |
x,y,z |
1_555 |
49 |
18 |
19584 |
313.9 |
-18.4 |
0.771 |
5 |
0 |
0 |
0.287 |
Average: |
314.6 |
-18.4 |
0.765 |
5 |
0 |
0 |
0.287 |
7 |
11 |
|
C |
36 |
18 |
19584 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
19 |
11 |
24258 |
205.9 |
0.5 |
0.686 |
1 |
1 |
0 |
0.000 |
12 |
|
B |
15 |
9 |
24041 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
23 |
13 |
19859 |
137.2 |
-0.4 |
0.610 |
1 |
1 |
0 |
0.000 |
Average: |
171.5 |
0.1 |
0.648 |
1 |
1 |
0 |
0.000 |
8 |
13 |
|
[HCA]A:501 |
12 |
1 |
344 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
19859 |
201.6 |
1.8 |
0.501 |
5 |
0 |
0 |
0.006 |
14 |
|
[HCA]C:501 |
13 |
1 |
342 |
f |
C |
x,y,z |
1_555 |
36 |
17 |
19584 |
200.2 |
1.8 |
0.506 |
4 |
0 |
0 |
0.006 |
Average: |
200.9 |
1.8 |
0.503 |
5 |
0 |
0 |
0.006 |
9 |
15 |
|
D |
20 |
8 |
24258 |
◊ |
A |
x-1,y,z-1 |
1_454 |
22 |
7 |
19859 |
194.5 |
-0.2 |
0.658 |
3 |
1 |
0 |
0.000 |
10 |
16 |
|
[CLF]C:506 |
12 |
1 |
453 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
19584 |
182.8 |
-18.2 |
0.069 |
0 |
0 |
0 |
0.254 |
17 |
|
[CLF]A:505 |
12 |
1 |
451 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
19859 |
182.1 |
-18.3 |
0.076 |
0 |
0 |
0 |
0.254 |
Average: |
182.4 |
-18.2 |
0.072 |
0 |
0 |
0 |
0.254 |
11 |
18 |
|
[CLF]A:505 |
12 |
1 |
451 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
24041 |
180.1 |
-17.6 |
0.088 |
0 |
0 |
0 |
0.115 |
19 |
|
[CLF]C:506 |
12 |
1 |
453 |
◊ |
D |
x,y,z |
1_555 |
25 |
11 |
24258 |
179.9 |
-17.5 |
0.086 |
0 |
0 |
0 |
0.115 |
Average: |
180.0 |
-17.5 |
0.087 |
0 |
0 |
0 |
0.115 |
12 |
20 |
|
A |
20 |
6 |
19859 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
22 |
7 |
19859 |
175.9 |
-0.2 |
0.623 |
1 |
0 |
0 |
0.000 |
21 |
|
C |
21 |
6 |
19584 |
x |
C |
-x,y-1/2,-z |
2_545 |
20 |
5 |
19584 |
159.5 |
-2.2 |
0.295 |
0 |
0 |
0 |
0.000 |
Average: |
167.7 |
-1.2 |
0.459 |
1 |
0 |
0 |
0.000 |
13 |
22 |
|
D |
23 |
9 |
24258 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
6 |
19584 |
166.2 |
-1.6 |
0.461 |
0 |
0 |
0 |
0.011 |
14 |
23 |
|
[IMD]B:602 |
5 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
24041 |
128.0 |
4.2 |
0.435 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[IMD]D:601 |
5 |
1 |
196 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
24258 |
126.1 |
4.3 |
0.502 |
2 |
0 |
0 |
0.000 |
16 |
25 |
|
[IMD]C:505 |
5 |
1 |
196 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
19584 |
110.9 |
2.4 |
0.342 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
B |
12 |
4 |
24041 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
4 |
24258 |
109.0 |
1.7 |
0.835 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[IMD]B:601 |
5 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
24041 |
107.0 |
4.2 |
0.448 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[IMD]D:602 |
5 |
1 |
197 |
◊ |
D |
x,y,z |
1_555 |
17 |
9 |
24258 |
106.2 |
3.6 |
0.369 |
2 |
0 |
0 |
0.000 |
20 |
29 |
|
[IMD]A:503 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
19859 |
87.4 |
2.8 |
0.242 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[IMD]C:503 |
5 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
19584 |
87.3 |
2.9 |
0.247 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[IMD]D:603 |
5 |
1 |
195 |
◊ |
A |
x,y,z-1 |
1_554 |
11 |
3 |
19859 |
73.2 |
2.1 |
0.244 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
C |
13 |
3 |
19584 |
◊ |
[IMD]B:603 |
x,y,z-1 |
1_554 |
5 |
1 |
197 |
72.9 |
2.3 |
0.244 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[ICG]C:502 |
7 |
1 |
489 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
342 |
67.9 |
-3.6 |
0.444 |
0 |
0 |
0 |
0.050 |
34 |
|
[ICG]A:502 |
7 |
1 |
489 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
7 |
1 |
344 |
67.4 |
-2.0 |
0.673 |
0 |
0 |
0 |
0.050 |
Average: |
67.7 |
-2.8 |
0.559 |
0 |
0 |
0 |
0.050 |
25 |
35 |
|
[IMD]B:603 |
5 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
19859 |
62.8 |
1.5 |
0.181 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[IMD]C:505 |
4 |
1 |
196 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
24258 |
62.2 |
1.0 |
0.193 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[IMD]D:603 |
5 |
1 |
195 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
19584 |
61.5 |
1.4 |
0.194 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[SE]B:605 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
24041 |
56.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.016 |
39 |
|
[SE]D:604 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
24258 |
55.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
55.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.016 |
29 |
40 |
|
[IMD]B:603 |
3 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
24041 |
52.7 |
0.8 |
0.219 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[IMD]D:603 |
3 |
1 |
195 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
24258 |
52.2 |
1.2 |
0.340 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
[FE2]B:604 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24258 |
46.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.204 |
43 |
|
[FE2]B:606 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
24041 |
45.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.204 |
Average: |
46.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.204 |
32 |
44 |
|
[SE]B:605 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19859 |
44.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.031 |
45 |
|
[SE]D:604 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
19584 |
44.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
44.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.031 |
33 |
46 |
|
[HCA]A:501 |
7 |
1 |
344 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24041 |
44.4 |
0.9 |
0.488 |
0 |
0 |
0 |
0.000 |
47 |
|
[HCA]C:501 |
7 |
1 |
342 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
24258 |
43.8 |
1.2 |
0.565 |
0 |
0 |
0 |
0.000 |
Average: |
44.1 |
1.1 |
0.526 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
19584 |
42.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.075 |
49 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
19859 |
41.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
41.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.075 |
35 |
50 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
24258 |
41.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.029 |
51 |
|
[CL]A:504 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
24041 |
40.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
40.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.029 |
36 |
52 |
|
B |
7 |
2 |
24041 |
x |
B |
x-1,y,z |
1_455 |
3 |
1 |
24041 |
40.1 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
37 |
53 |
|
[FE2]B:606 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
24258 |
39.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.175 |
54 |
|
[FE2]B:604 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
24041 |
39.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.175 |
Average: |
39.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.175 |
38 |
55 |
|
[FE2]B:606 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19859 |
31.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.021 |
56 |
|
[FE2]B:604 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
19584 |
31.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
31.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.021 |
39 |
57 |
|
[SE]B:605 |
1 |
1 |
137 |
f |
[CL]A:504 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.046 |
40 |
58 |
|
[SE]D:604 |
1 |
1 |
137 |
f |
[CL]C:504 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.047 |
41 |
59 |
|
[IMD]D:602 |
1 |
1 |
197 |
f |
C |
x-1,y,z |
1_455 |
1 |
1 |
19584 |
10.0 |
0.2 |
0.285 |
0 |
0 |
0 |
0.000 |
42 |
60 |
|
B |
1 |
1 |
24041 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
19584 |
7.0 |
0.3 |
0.864 |
0 |
0 |
0 |
0.000 |
|