## |
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 |
|
D |
326 |
86 |
19485 |
◊ |
C |
x,y,z |
1_555 |
324 |
83 |
22558 |
3125.7 |
-45.5 |
0.002 |
35 |
6 |
0 |
0.472 |
2 |
|
B |
323 |
85 |
19319 |
◊ |
A |
x,y,z |
1_555 |
326 |
82 |
22809 |
3107.8 |
-46.1 |
0.001 |
36 |
6 |
0 |
0.472 |
Average: |
3116.7 |
-45.8 |
0.001 |
36 |
6 |
0 |
0.472 |
2 |
3 |
|
D |
250 |
59 |
19485 |
◊ |
B |
x,y,z |
1_555 |
246 |
60 |
19319 |
2284.4 |
-5.5 |
0.743 |
51 |
27 |
0 |
0.612 |
3 |
4 |
|
D |
127 |
31 |
19485 |
◊ |
A |
x,y,z |
1_555 |
129 |
34 |
22809 |
1133.0 |
-10.3 |
0.295 |
11 |
8 |
0 |
0.267 |
5 |
|
B |
128 |
32 |
19319 |
◊ |
C |
x,y,z |
1_555 |
133 |
35 |
22558 |
1115.7 |
-10.5 |
0.288 |
14 |
8 |
0 |
0.267 |
Average: |
1124.3 |
-10.4 |
0.291 |
13 |
8 |
0 |
0.267 |
4 |
6 |
|
D |
31 |
12 |
19485 |
◊ |
A |
x,y,z-1 |
1_554 |
41 |
12 |
22809 |
344.7 |
-4.2 |
0.277 |
2 |
2 |
0 |
0.000 |
5 |
7 |
|
C |
48 |
13 |
22558 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
9 |
22809 |
341.3 |
-6.2 |
0.165 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
[ICS]A:602 |
17 |
1 |
488 |
f |
A |
x,y,z |
1_555 |
45 |
17 |
22809 |
313.0 |
-18.0 |
0.797 |
6 |
0 |
0 |
0.309 |
9 |
|
[ICS]C:602 |
17 |
1 |
487 |
f |
C |
x,y,z |
1_555 |
43 |
16 |
22558 |
310.4 |
-18.0 |
0.804 |
6 |
0 |
0 |
0.309 |
Average: |
311.7 |
-18.0 |
0.800 |
6 |
0 |
0 |
0.309 |
7 |
10 |
|
[HCA]A:601 |
13 |
1 |
345 |
f |
A |
x,y,z |
1_555 |
32 |
14 |
22809 |
199.7 |
1.0 |
0.462 |
5 |
0 |
0 |
0.027 |
11 |
|
[HCA]C:601 |
12 |
1 |
342 |
f |
C |
x,y,z |
1_555 |
32 |
14 |
22558 |
199.3 |
0.4 |
0.418 |
5 |
0 |
0 |
0.027 |
Average: |
199.5 |
0.7 |
0.440 |
5 |
0 |
0 |
0.027 |
8 |
12 |
|
[CLF]C:603 |
13 |
1 |
467 |
◊ |
D |
x,y,z |
1_555 |
23 |
11 |
19485 |
185.3 |
-18.1 |
0.086 |
0 |
0 |
0 |
0.138 |
13 |
|
[CLF]A:604 |
13 |
1 |
465 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
19319 |
183.3 |
-17.9 |
0.096 |
0 |
0 |
0 |
0.138 |
Average: |
184.3 |
-18.0 |
0.091 |
0 |
0 |
0 |
0.138 |
9 |
14 |
|
[CLF]A:604 |
12 |
1 |
465 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
22809 |
181.4 |
-18.8 |
0.096 |
0 |
0 |
0 |
0.280 |
15 |
|
[CLF]C:603 |
12 |
1 |
467 |
f |
C |
x,y,z |
1_555 |
29 |
11 |
22558 |
180.1 |
-18.8 |
0.094 |
0 |
0 |
0 |
0.280 |
Average: |
180.7 |
-18.8 |
0.095 |
0 |
0 |
0 |
0.280 |
10 |
16 |
|
C |
16 |
5 |
22558 |
◊ |
A |
x,y,z-1 |
1_554 |
26 |
6 |
22809 |
181.3 |
-3.1 |
0.146 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
C |
17 |
7 |
22558 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
20 |
7 |
22809 |
171.8 |
0.2 |
0.709 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
B |
21 |
6 |
19319 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
5 |
22809 |
149.5 |
0.2 |
0.686 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[MPD]A:603 |
7 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
22809 |
144.7 |
-9.0 |
0.797 |
1 |
0 |
0 |
0.125 |
14 |
20 |
|
D |
16 |
8 |
19485 |
◊ |
C |
x-1,y,z |
1_455 |
16 |
7 |
22558 |
136.6 |
0.5 |
0.700 |
1 |
1 |
0 |
0.000 |
15 |
21 |
|
C |
12 |
4 |
22558 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
4 |
19319 |
124.6 |
-1.9 |
0.251 |
1 |
1 |
0 |
0.000 |
16 |
22 |
|
D |
15 |
5 |
19485 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
10 |
3 |
22809 |
96.0 |
1.1 |
0.787 |
1 |
1 |
0 |
0.000 |
17 |
23 |
|
[ICS]A:602 |
7 |
1 |
488 |
f |
[HCA]A:601 |
x,y,z |
1_555 |
7 |
1 |
345 |
67.6 |
-3.6 |
0.424 |
0 |
0 |
0 |
0.047 |
24 |
|
[ICS]C:602 |
7 |
1 |
487 |
f |
[HCA]C:601 |
x,y,z |
1_555 |
7 |
1 |
342 |
66.9 |
-2.0 |
0.652 |
0 |
0 |
0 |
0.047 |
Average: |
67.2 |
-2.8 |
0.538 |
0 |
0 |
0 |
0.047 |
18 |
25 |
|
[FE2]B:502 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
19319 |
50.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.220 |
26 |
|
[FE2]B:501 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
19485 |
50.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.220 |
Average: |
50.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.220 |
19 |
27 |
|
[HCA]C:601 |
9 |
1 |
342 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
19485 |
48.2 |
0.6 |
0.432 |
0 |
0 |
0 |
0.000 |
28 |
|
[HCA]A:601 |
9 |
1 |
345 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
19319 |
47.9 |
0.9 |
0.466 |
0 |
0 |
0 |
0.000 |
Average: |
48.0 |
0.8 |
0.449 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[FE2]B:501 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
19319 |
38.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.168 |
30 |
|
[FE2]B:502 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
19485 |
38.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
38.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.168 |
21 |
31 |
|
[FE2]B:501 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
22558 |
31.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
32 |
|
[FE2]B:502 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
22809 |
30.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
30.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
22 |
33 |
|
D |
5 |
3 |
19485 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
19319 |
24.1 |
1.0 |
0.799 |
1 |
0 |
0 |
0.000 |
23 |
34 |
|
C |
1 |
1 |
22558 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
1 |
19485 |
5.7 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
B |
1 |
1 |
19319 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
22558 |
1.6 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
|