## |
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 |
105 |
29 |
8593 |
◊ |
B |
x,y,z |
1_555 |
101 |
29 |
8594 |
1026.4 |
-9.5 |
0.494 |
8 |
0 |
0 |
0.137 |
2 |
|
F |
97 |
29 |
8435 |
◊ |
A |
x,y,z |
1_555 |
96 |
29 |
8583 |
982.3 |
-8.0 |
0.559 |
8 |
0 |
0 |
0.137 |
3 |
|
E |
97 |
29 |
8495 |
◊ |
D |
x,y,z |
1_555 |
99 |
29 |
8601 |
981.3 |
-8.1 |
0.567 |
7 |
0 |
0 |
0.137 |
Average: |
996.7 |
-8.6 |
0.540 |
8 |
0 |
0 |
0.137 |
2 |
4 |
|
F |
52 |
13 |
8435 |
x |
F |
-y+1/2,x-1/2,z |
3_545 |
47 |
15 |
8435 |
495.8 |
-4.8 |
0.445 |
5 |
3 |
0 |
0.119 |
5 |
|
E |
50 |
14 |
8495 |
x |
A |
x,y,z |
1_555 |
47 |
14 |
8583 |
482.6 |
-5.3 |
0.400 |
5 |
3 |
0 |
0.119 |
6 |
|
B |
45 |
13 |
8594 |
x |
B |
-y+1/2,x-1/2,z |
3_545 |
48 |
13 |
8594 |
479.8 |
-5.2 |
0.394 |
5 |
3 |
0 |
0.119 |
7 |
|
D |
45 |
14 |
8601 |
x |
A |
-y+1/2,x-1/2,z |
3_545 |
47 |
13 |
8583 |
471.0 |
-4.7 |
0.442 |
5 |
3 |
0 |
0.119 |
8 |
|
E |
44 |
13 |
8495 |
x |
C |
x,y,z |
1_555 |
48 |
13 |
8593 |
461.0 |
-4.4 |
0.454 |
5 |
3 |
0 |
0.119 |
9 |
|
D |
53 |
12 |
8601 |
x |
C |
-y+1/2,x-1/2,z |
3_545 |
42 |
13 |
8593 |
454.7 |
-4.9 |
0.420 |
5 |
3 |
0 |
0.119 |
Average: |
474.2 |
-4.9 |
0.426 |
5 |
3 |
0 |
0.119 |
3 |
10 |
|
F |
50 |
12 |
8435 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
48 |
12 |
8583 |
440.5 |
-8.0 |
0.206 |
0 |
2 |
0 |
0.173 |
11 |
|
F |
47 |
11 |
8435 |
◊ |
E |
x,y,z |
1_555 |
49 |
12 |
8495 |
440.0 |
-8.5 |
0.166 |
1 |
0 |
0 |
0.173 |
12 |
|
E |
47 |
11 |
8495 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
49 |
12 |
8583 |
438.7 |
-7.9 |
0.208 |
1 |
1 |
0 |
0.173 |
13 |
|
D |
48 |
12 |
8601 |
◊ |
B |
-y+1/2,x-1/2,z |
3_545 |
49 |
13 |
8594 |
437.2 |
-8.1 |
0.204 |
1 |
3 |
0 |
0.173 |
14 |
|
D |
48 |
12 |
8601 |
◊ |
C |
x,y,z |
1_555 |
49 |
12 |
8593 |
433.7 |
-6.8 |
0.288 |
1 |
2 |
0 |
0.173 |
15 |
|
C |
48 |
12 |
8593 |
◊ |
B |
-y+1/2,x-1/2,z |
3_545 |
49 |
12 |
8594 |
431.6 |
-7.7 |
0.222 |
2 |
2 |
0 |
0.173 |
Average: |
436.9 |
-7.8 |
0.216 |
1 |
2 |
0 |
0.173 |
4 |
16 |
|
C |
44 |
14 |
8593 |
◊ |
C |
-y,-x,-z |
8_555 |
44 |
14 |
8593 |
408.1 |
-0.2 |
0.822 |
0 |
0 |
0 |
0.000 |
5 |
17 |
|
F |
36 |
11 |
8435 |
◊ |
F |
-y,-x,-z+1 |
8_556 |
37 |
11 |
8435 |
302.2 |
-1.7 |
0.687 |
0 |
0 |
0 |
0.000 |
6 |
18 |
|
C |
17 |
6 |
8593 |
◊ |
B |
-y,-x,-z |
8_555 |
16 |
6 |
8594 |
177.5 |
-3.2 |
0.248 |
0 |
0 |
0 |
0.022 |
7 |
19 |
|
B |
15 |
6 |
8594 |
◊ |
B |
-y,-x,-z |
8_555 |
14 |
6 |
8594 |
125.4 |
2.0 |
0.928 |
4 |
4 |
0 |
0.002 |
8 |
20 |
|
F |
11 |
5 |
8435 |
◊ |
A |
-y,-x,-z+1 |
8_556 |
14 |
4 |
8583 |
120.7 |
-3.5 |
0.125 |
0 |
0 |
0 |
0.000 |
9 |
21 |
|
E |
18 |
5 |
8495 |
◊ |
E |
-x+1,-y-1,z |
2_645 |
18 |
5 |
8495 |
109.7 |
0.1 |
0.775 |
0 |
0 |
0 |
0.000 |
10 |
22 |
|
D |
14 |
6 |
8601 |
◊ |
D |
-x+1,-y-1,z |
2_645 |
13 |
6 |
8601 |
82.6 |
-0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
11 |
23 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
8594 |
57.9 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.209 |
24 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
8583 |
56.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.209 |
25 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
8593 |
56.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.209 |
26 |
|
[FE]D:203 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
8601 |
55.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.209 |
27 |
|
[FE]F:201 |
1 |
1 |
137 |
cf |
F |
x,y,z |
1_555 |
13 |
8 |
8435 |
55.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.209 |
28 |
|
[FE]E:201 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
12 |
8 |
8495 |
55.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.209 |
Average: |
56.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.209 |
12 |
29 |
|
[FE]E:204 |
1 |
1 |
137 |
x |
E |
x,y,z |
1_555 |
8 |
3 |
8495 |
55.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.104 |
30 |
|
[FE]B:206 |
1 |
1 |
137 |
x |
B |
x,y,z |
1_555 |
8 |
4 |
8594 |
41.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.104 |
31 |
|
[FE]E:205 |
1 |
1 |
137 |
x |
E |
-x+1,-y-1,z |
2_645 |
6 |
2 |
8495 |
22.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
39.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.104 |
13 |
32 |
|
[FE]B:201 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
8 |
5 |
8594 |
50.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.203 |
33 |
|
[FE]A:203 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
8583 |
49.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.203 |
34 |
|
[FE]E:203 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
8495 |
49.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.203 |
35 |
|
[FE]D:202 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
8601 |
49.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.203 |
36 |
|
[FE]F:203 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
3 |
3 |
8435 |
48.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.203 |
37 |
|
[FE]C:203 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
6 |
4 |
8593 |
48.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.203 |
Average: |
49.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.203 |
14 |
38 |
|
[FE]B:203 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
8594 |
48.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.198 |
39 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
8583 |
48.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.198 |
40 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
8593 |
47.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.198 |
41 |
|
[FE]D:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
8601 |
47.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.198 |
42 |
|
[FE]F:202 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
8435 |
47.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.198 |
43 |
|
[FE]E:202 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
6 |
5 |
8495 |
47.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.198 |
Average: |
47.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.198 |
15 |
44 |
|
[FE]E:206 |
1 |
1 |
137 |
x |
E |
x,y,z |
1_555 |
8 |
4 |
8495 |
46.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.146 |
45 |
|
[FE]E:205 |
1 |
1 |
137 |
x |
E |
x,y,z |
1_555 |
6 |
2 |
8495 |
39.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.146 |
Average: |
43.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.146 |
16 |
46 |
|
[FE]B:204 |
1 |
1 |
137 |
x |
B |
x,y,z |
1_555 |
8 |
4 |
8594 |
45.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.114 |
17 |
47 |
|
[FE]B:205 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8594 |
44.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.049 |
18 |
48 |
|
[FE]E:206 |
1 |
1 |
137 |
f |
[FE]E:206 |
-x+1,-y-1,z |
2_645 |
1 |
1 |
137 |
42.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.047 |
19 |
49 |
|
[FE]B:205 |
1 |
1 |
137 |
◊ |
B |
-y,-x,-z |
8_555 |
8 |
3 |
8594 |
37.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.039 |
20 |
50 |
|
[FE]B:206 |
1 |
1 |
137 |
◊ |
B |
-y,-x,-z |
8_555 |
7 |
3 |
8594 |
37.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.026 |
21 |
51 |
|
A |
8 |
5 |
8583 |
◊ |
A |
-y,-x,-z+1 |
8_556 |
8 |
5 |
8583 |
35.4 |
-0.9 |
0.474 |
0 |
0 |
0 |
0.000 |
22 |
52 |
|
[FE]E:205 |
1 |
1 |
137 |
fx |
[FE]E:204 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.070 |
23 |
53 |
|
E |
5 |
3 |
8495 |
◊ |
D |
-x+1,-y-1,z |
2_645 |
5 |
3 |
8601 |
29.6 |
-0.2 |
0.569 |
0 |
0 |
0 |
0.000 |
24 |
54 |
|
[FE]E:206 |
1 |
1 |
137 |
fx |
[FE]E:205 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.130 |
25 |
55 |
|
[FE]B:204 |
1 |
1 |
137 |
f |
[FE]B:204 |
-y,-x,-z |
8_555 |
1 |
1 |
137 |
27.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.030 |
26 |
56 |
|
[FE]B:206 |
1 |
1 |
137 |
f |
[FE]B:205 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.054 |
27 |
57 |
|
[FE]B:205 |
1 |
1 |
137 |
fx |
[FE]B:204 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.106 |
28 |
58 |
|
[FE]C:203 |
1 |
1 |
137 |
f |
[FE]C:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.049 |
29 |
59 |
|
[FE]B:206 |
1 |
1 |
137 |
f |
[FE]B:204 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.051 |
30 |
60 |
|
[FE]D:202 |
1 |
1 |
137 |
f |
[FE]D:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.031 |
31 |
61 |
|
[FE]F:203 |
1 |
1 |
137 |
f |
[FE]F:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.030 |
32 |
62 |
|
[FE]B:203 |
1 |
1 |
137 |
f |
[FE]B:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.050 |
33 |
63 |
|
[FE]A:203 |
1 |
1 |
137 |
f |
[FE]A:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.030 |
34 |
64 |
|
[FE]E:203 |
1 |
1 |
137 |
f |
[FE]E:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.049 |
35 |
65 |
|
[FE]E:205 |
1 |
1 |
137 |
f |
[FE]E:205 |
-x+1,-y-1,z |
2_645 |
1 |
1 |
137 |
21.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.024 |
36 |
66 |
|
[FE]D:203 |
1 |
1 |
137 |
f |
[FE]D:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.029 |
37 |
67 |
|
[FE]E:202 |
1 |
1 |
137 |
f |
[FE]E:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.047 |
38 |
68 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.028 |
39 |
69 |
|
[FE]B:203 |
1 |
1 |
137 |
f |
[FE]B:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.047 |
40 |
70 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
[FE]C:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.044 |
41 |
71 |
|
[FE]F:202 |
1 |
1 |
137 |
f |
[FE]F:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.028 |
42 |
72 |
|
F |
3 |
3 |
8435 |
◊ |
F |
-x+1,-y,z |
2_655 |
3 |
3 |
8435 |
17.8 |
-0.6 |
0.353 |
0 |
0 |
0 |
0.004 |
73 |
|
B |
2 |
2 |
8594 |
◊ |
B |
-x+1,-y,z |
2_655 |
2 |
2 |
8594 |
14.5 |
-0.5 |
0.300 |
0 |
0 |
0 |
0.004 |
74 |
|
D |
2 |
2 |
8601 |
◊ |
E |
-y+1/2,x-1/2,z |
3_545 |
2 |
2 |
8495 |
14.1 |
-0.5 |
0.305 |
0 |
0 |
0 |
0.004 |
75 |
|
C |
2 |
2 |
8593 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8583 |
13.9 |
-0.4 |
0.307 |
0 |
0 |
0 |
0.004 |
Average: |
15.1 |
-0.5 |
0.316 |
0 |
0 |
0 |
0.004 |
43 |
76 |
|
[FE]C:203 |
1 |
1 |
137 |
f |
[FE]C:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.035 |
44 |
77 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
[FE]B:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.037 |
45 |
78 |
|
[FE]F:203 |
1 |
1 |
137 |
f |
[FE]F:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.022 |
46 |
79 |
|
[FE]E:203 |
1 |
1 |
137 |
f |
[FE]E:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
15.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.035 |
47 |
80 |
|
[FE]D:203 |
1 |
1 |
137 |
f |
[FE]D:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
15.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.021 |
48 |
81 |
|
[FE]A:203 |
1 |
1 |
137 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
15.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.021 |
49 |
82 |
|
[FE]E:206 |
1 |
1 |
137 |
fx |
[FE]E:204 |
x,y,z |
1_555 |
1 |
1 |
137 |
10.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.024 |
50 |
83 |
|
[FE]B:206 |
1 |
1 |
137 |
f |
[FE]B:204 |
-y,-x,-z |
8_555 |
1 |
1 |
137 |
8.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.018 |
|