| ## |
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 |
423 |
92 |
15929 |
◊ |
A |
x,y,z |
1_555 |
442 |
99 |
21036 |
4250.4 |
-55.5 |
0.010 |
56 |
12 |
0 |
0.778 |
2 |
|
E |
426 |
91 |
15765 |
◊ |
D |
x,y,z |
1_555 |
457 |
100 |
21053 |
4232.6 |
-55.5 |
0.009 |
52 |
10 |
0 |
0.778 |
| Average: |
4241.5 |
-55.5 |
0.010 |
54 |
11 |
0 |
0.778 |
| 2 |
3 |
|
C |
133 |
33 |
4847 |
◊ |
A |
x,y,z |
1_555 |
142 |
42 |
21036 |
1274.7 |
-16.8 |
0.042 |
18 |
3 |
0 |
0.500 |
4 |
|
F |
129 |
32 |
4819 |
◊ |
D |
x,y,z |
1_555 |
140 |
43 |
21053 |
1273.2 |
-14.5 |
0.083 |
16 |
4 |
0 |
0.500 |
| Average: |
1273.9 |
-15.7 |
0.063 |
17 |
4 |
0 |
0.500 |
| 3 |
5 |
|
H |
77 |
19 |
5964 |
◊ |
D |
x,y,z |
1_555 |
76 |
25 |
21053 |
742.8 |
-6.8 |
0.203 |
5 |
0 |
0 |
0.126 |
6 |
|
I |
79 |
19 |
5951 |
◊ |
A |
x,y,z |
1_555 |
75 |
25 |
21036 |
735.1 |
-6.8 |
0.198 |
6 |
0 |
0 |
0.126 |
| Average: |
738.9 |
-6.8 |
0.200 |
6 |
0 |
0 |
0.126 |
| 4 |
7 |
|
A |
78 |
21 |
21036 |
◊ |
D |
-x,y-1/2,-z+1/2 |
4_545 |
68 |
18 |
21053 |
664.2 |
3.7 |
0.941 |
11 |
11 |
0 |
0.000 |
| 5 |
8 |
|
E |
57 |
19 |
15765 |
◊ |
B |
x,y,z |
1_555 |
58 |
17 |
15929 |
529.4 |
-6.3 |
0.295 |
3 |
1 |
0 |
0.027 |
| 6 |
9 |
|
I |
46 |
11 |
5951 |
◊ |
E |
x,y,z |
1_555 |
44 |
10 |
15765 |
433.6 |
1.2 |
0.655 |
10 |
10 |
0 |
0.036 |
10 |
|
H |
42 |
11 |
5964 |
◊ |
B |
x,y,z |
1_555 |
42 |
8 |
15929 |
431.4 |
0.9 |
0.639 |
11 |
11 |
0 |
0.036 |
| Average: |
432.5 |
1.1 |
0.647 |
11 |
11 |
0 |
0.036 |
| 7 |
11 |
|
D |
47 |
14 |
21053 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
21036 |
431.7 |
-7.0 |
0.145 |
1 |
0 |
0 |
0.026 |
| 8 |
12 |
|
I |
24 |
7 |
5951 |
◊ |
D |
-x,y-1/2,-z+1/2 |
4_545 |
26 |
8 |
21053 |
221.9 |
-3.2 |
0.212 |
0 |
1 |
0 |
0.000 |
13 |
|
A |
31 |
9 |
21036 |
◊ |
H |
-x,y-1/2,-z+1/2 |
4_545 |
22 |
7 |
5964 |
221.5 |
-2.2 |
0.416 |
1 |
2 |
0 |
0.000 |
| Average: |
221.7 |
-2.7 |
0.314 |
1 |
2 |
0 |
0.000 |
| 9 |
14 |
|
C |
18 |
8 |
4847 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
7 |
21053 |
210.2 |
-2.0 |
0.372 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
B |
23 |
8 |
15929 |
◊ |
H |
-x-1,y-1/2,-z+1/2 |
4_445 |
22 |
9 |
5964 |
182.1 |
0.0 |
0.687 |
3 |
1 |
0 |
0.000 |
| 11 |
16 |
|
[PEG]D:503 |
7 |
1 |
245 |
f |
D |
x,y,z |
1_555 |
32 |
14 |
21053 |
133.6 |
3.3 |
0.497 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[PEG]A:503 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
33 |
14 |
21036 |
116.8 |
2.7 |
0.556 |
1 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[FES]H:201 |
4 |
1 |
235 |
f |
H |
x,y,z |
1_555 |
17 |
8 |
5964 |
114.7 |
-15.4 |
0.625 |
2 |
0 |
0 |
0.228 |
| 14 |
19 |
|
[FES]I:201 |
4 |
1 |
235 |
f |
I |
x,y,z |
1_555 |
17 |
8 |
5951 |
114.0 |
-15.3 |
0.612 |
2 |
0 |
0 |
0.208 |
| 15 |
20 |
|
E |
11 |
5 |
15765 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
5 |
21053 |
101.7 |
0.3 |
0.737 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
E |
8 |
2 |
15765 |
◊ |
F |
x-1/2,-y-1/2,-z+1 |
3_446 |
8 |
4 |
4819 |
66.6 |
0.3 |
0.693 |
1 |
1 |
0 |
0.000 |
| 17 |
22 |
|
I |
8 |
4 |
5951 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
4_445 |
8 |
4 |
15765 |
63.4 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[FE]D:502 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
21053 |
48.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.193 |
24 |
|
[FE]A:502 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
9 |
5 |
21036 |
47.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.193 |
| Average: |
48.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.193 |
| 19 |
25 |
|
[FE]D:501 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
21053 |
48.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.183 |
26 |
|
[FE]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
21036 |
48.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.183 |
| Average: |
48.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.183 |
| 20 |
27 |
|
A |
6 |
4 |
21036 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
4_445 |
7 |
4 |
15765 |
47.8 |
0.9 |
0.850 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
C |
5 |
2 |
4847 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
15765 |
43.4 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[PEG]A:503 |
3 |
1 |
221 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.060 |
| 23 |
30 |
|
B |
5 |
2 |
15929 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
21036 |
30.7 |
-0.2 |
0.493 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[PEG]D:503 |
3 |
1 |
245 |
f |
[FE]D:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.092 |
32 |
|
[PEG]D:503 |
2 |
1 |
245 |
f |
[FE]D:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
27.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.092 |
| 25 |
33 |
|
[PEG]A:503 |
2 |
1 |
221 |
f |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.053 |
| 26 |
34 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 27 |
35 |
|
[FE]D:502 |
1 |
1 |
137 |
f |
[FE]D:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.111 |
| 28 |
36 |
|
A |
5 |
3 |
21036 |
◊ |
C |
x-1/2,-y-1/2,-z |
3_445 |
3 |
2 |
4847 |
23.7 |
0.0 |
0.474 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
E |
3 |
1 |
15765 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
2 |
1 |
15929 |
22.6 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[FES]I:201 |
3 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
4 |
4 |
21036 |
21.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.019 |
| 31 |
39 |
|
E |
1 |
1 |
15765 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
21036 |
20.3 |
0.8 |
0.914 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
3 |
2 |
15929 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
21053 |
16.0 |
0.6 |
0.822 |
0 |
0 |
0 |
0.000 |
| Average: |
18.1 |
0.7 |
0.868 |
0 |
0 |
0 |
0.000 |
| 32 |
41 |
|
[FES]H:201 |
3 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
21053 |
18.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 33 |
42 |
|
C |
2 |
1 |
4847 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
4819 |
3.4 |
0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
| 34 |
43 |
|
I |
3 |
1 |
5951 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
21053 |
2.8 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
I |
1 |
1 |
5951 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
21036 |
2.4 |
0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
| 36 |
45 |
|
A |
1 |
1 |
21036 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
21053 |
0.5 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
|