| ## |
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 |
324 |
89 |
12339 |
◊ |
A |
x,y,z |
1_555 |
309 |
70 |
12298 |
3116.5 |
-34.1 |
0.308 |
42 |
5 |
0 |
0.812 |
2 |
|
N |
325 |
91 |
12296 |
◊ |
M |
x,y,z |
1_555 |
304 |
71 |
12286 |
3113.9 |
-38.0 |
0.181 |
39 |
4 |
0 |
0.812 |
3 |
|
P |
321 |
88 |
12338 |
◊ |
O |
x,y,z |
1_555 |
305 |
71 |
12242 |
3067.0 |
-35.3 |
0.307 |
40 |
6 |
0 |
0.812 |
4 |
|
J |
325 |
87 |
12325 |
◊ |
I |
x,y,z |
1_555 |
300 |
69 |
12188 |
3053.0 |
-35.7 |
0.256 |
40 |
5 |
0 |
0.812 |
5 |
|
D |
321 |
87 |
12302 |
◊ |
C |
x,y,z |
1_555 |
310 |
70 |
12167 |
3045.6 |
-32.9 |
0.382 |
43 |
5 |
0 |
0.812 |
6 |
|
L |
327 |
90 |
12292 |
◊ |
K |
x,y,z |
1_555 |
303 |
70 |
12174 |
3042.3 |
-34.4 |
0.311 |
46 |
5 |
0 |
0.812 |
7 |
|
H |
309 |
87 |
12309 |
◊ |
G |
x,y,z |
1_555 |
304 |
70 |
12181 |
3042.0 |
-35.9 |
0.273 |
42 |
5 |
0 |
0.812 |
8 |
|
F |
318 |
87 |
12348 |
◊ |
E |
x,y,z |
1_555 |
308 |
70 |
12179 |
3034.0 |
-35.4 |
0.271 |
44 |
5 |
0 |
0.812 |
| Average: |
3064.3 |
-35.2 |
0.286 |
42 |
5 |
0 |
0.812 |
| 2 |
9 |
|
J |
119 |
32 |
12325 |
◊ |
D |
x,y,z |
1_555 |
125 |
34 |
12302 |
1143.1 |
-15.8 |
0.266 |
4 |
0 |
0 |
1.000 |
10 |
|
P |
120 |
33 |
12338 |
◊ |
F |
x,y-1,z |
1_545 |
119 |
32 |
12348 |
1121.3 |
-13.5 |
0.378 |
4 |
0 |
0 |
1.000 |
11 |
|
N |
119 |
32 |
12296 |
◊ |
H |
x,y,z |
1_555 |
119 |
33 |
12309 |
1119.6 |
-13.0 |
0.386 |
5 |
0 |
0 |
1.000 |
12 |
|
L |
119 |
32 |
12292 |
◊ |
B |
x,y,z |
1_555 |
116 |
32 |
12339 |
1113.7 |
-12.0 |
0.425 |
5 |
0 |
0 |
1.000 |
| Average: |
1124.4 |
-13.6 |
0.364 |
5 |
0 |
0 |
1.000 |
| 3 |
13 |
|
A |
85 |
21 |
12298 |
◊ |
G |
-y+1,x-y+1,z+1/3 |
2_665 |
82 |
21 |
12181 |
803.8 |
-14.3 |
0.132 |
4 |
0 |
0 |
0.415 |
14 |
|
I |
84 |
21 |
12188 |
◊ |
E |
x,y,z |
1_555 |
82 |
23 |
12179 |
797.0 |
-13.1 |
0.167 |
4 |
0 |
0 |
0.415 |
15 |
|
M |
79 |
19 |
12286 |
◊ |
K |
x,y,z |
1_555 |
78 |
20 |
12174 |
787.7 |
-13.5 |
0.134 |
4 |
0 |
0 |
0.415 |
16 |
|
C |
80 |
20 |
12167 |
◊ |
O |
-y,x-y,z+1/3 |
2_555 |
75 |
20 |
12242 |
775.9 |
-13.8 |
0.120 |
5 |
0 |
0 |
0.415 |
| Average: |
791.1 |
-13.7 |
0.138 |
4 |
0 |
0 |
0.415 |
| 4 |
17 |
|
I |
82 |
27 |
12188 |
◊ |
A |
x-1,y,z |
1_455 |
86 |
28 |
12298 |
756.4 |
-8.9 |
0.406 |
4 |
1 |
0 |
0.113 |
18 |
|
O |
83 |
28 |
12242 |
◊ |
M |
x,y,z |
1_555 |
83 |
28 |
12286 |
746.5 |
-7.2 |
0.525 |
3 |
0 |
0 |
0.113 |
| Average: |
751.4 |
-8.1 |
0.465 |
4 |
1 |
0 |
0.113 |
| 5 |
19 |
|
C |
22 |
7 |
12167 |
◊ |
M |
-y,x-y,z+1/3 |
2_555 |
38 |
12 |
12286 |
253.1 |
-3.7 |
0.200 |
0 |
0 |
0 |
0.088 |
20 |
|
O |
35 |
11 |
12242 |
◊ |
K |
x,y,z |
1_555 |
20 |
6 |
12174 |
243.9 |
-4.1 |
0.244 |
1 |
0 |
0 |
0.088 |
21 |
|
I |
35 |
13 |
12188 |
◊ |
G |
-y,x-y+1,z+1/3 |
2_565 |
19 |
7 |
12181 |
225.5 |
-4.0 |
0.258 |
1 |
0 |
0 |
0.088 |
22 |
|
E |
15 |
5 |
12179 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
10 |
12298 |
193.8 |
-3.8 |
0.188 |
0 |
0 |
0 |
0.088 |
| Average: |
229.1 |
-3.9 |
0.222 |
1 |
0 |
0 |
0.088 |
| 6 |
23 |
|
H |
25 |
9 |
12309 |
◊ |
F |
x,y,z |
1_555 |
28 |
9 |
12348 |
248.4 |
-1.0 |
0.693 |
4 |
0 |
0 |
0.000 |
24 |
|
L |
24 |
9 |
12292 |
◊ |
D |
x,y,z |
1_555 |
27 |
9 |
12302 |
233.7 |
-0.3 |
0.758 |
4 |
0 |
0 |
0.000 |
| Average: |
241.0 |
-0.7 |
0.726 |
4 |
0 |
0 |
0.000 |
| 7 |
25 |
|
N |
20 |
8 |
12296 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
12181 |
149.8 |
1.7 |
0.879 |
4 |
6 |
0 |
0.013 |
26 |
|
B |
20 |
8 |
12339 |
◊ |
K |
x,y,z |
1_555 |
11 |
4 |
12174 |
147.6 |
1.8 |
0.889 |
4 |
6 |
0 |
0.013 |
27 |
|
L |
19 |
8 |
12292 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12298 |
146.3 |
1.8 |
0.892 |
4 |
7 |
0 |
0.013 |
28 |
|
P |
20 |
8 |
12338 |
◊ |
E |
x,y-1,z |
1_545 |
11 |
4 |
12179 |
145.7 |
2.7 |
0.943 |
5 |
6 |
0 |
0.013 |
29 |
|
J |
21 |
8 |
12325 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
12167 |
145.0 |
2.7 |
0.941 |
3 |
6 |
0 |
0.013 |
30 |
|
D |
19 |
8 |
12302 |
◊ |
I |
x,y,z |
1_555 |
11 |
4 |
12188 |
144.1 |
1.8 |
0.899 |
3 |
5 |
0 |
0.013 |
31 |
|
O |
12 |
4 |
12242 |
◊ |
F |
x,y-1,z |
1_545 |
20 |
8 |
12348 |
143.6 |
2.7 |
0.942 |
4 |
6 |
0 |
0.013 |
32 |
|
H |
21 |
8 |
12309 |
◊ |
M |
x,y,z |
1_555 |
12 |
4 |
12286 |
143.4 |
2.8 |
0.943 |
4 |
6 |
0 |
0.013 |
| Average: |
145.7 |
2.2 |
0.916 |
4 |
6 |
0 |
0.013 |
| 8 |
33 |
|
D |
8 |
2 |
12302 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
12298 |
100.6 |
0.7 |
0.806 |
3 |
1 |
0 |
0.000 |
34 |
|
F |
7 |
1 |
12348 |
◊ |
M |
x,y,z |
1_555 |
10 |
3 |
12286 |
75.5 |
-0.1 |
0.676 |
1 |
0 |
0 |
0.000 |
35 |
|
O |
8 |
4 |
12242 |
◊ |
H |
x,y-1,z |
1_545 |
4 |
1 |
12309 |
62.6 |
-0.2 |
0.577 |
1 |
0 |
0 |
0.000 |
36 |
|
L |
4 |
1 |
12292 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
12188 |
62.3 |
-0.3 |
0.545 |
1 |
0 |
0 |
0.000 |
| Average: |
75.3 |
0.0 |
0.651 |
2 |
0 |
0 |
0.000 |
| 9 |
37 |
|
E |
7 |
5 |
12179 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
12339 |
65.3 |
-0.8 |
0.465 |
0 |
0 |
0 |
0.007 |
38 |
|
C |
8 |
5 |
12167 |
◊ |
N |
-y,x-y,z+1/3 |
2_555 |
7 |
3 |
12296 |
60.7 |
-1.0 |
0.438 |
0 |
0 |
0 |
0.007 |
39 |
|
J |
8 |
4 |
12325 |
◊ |
G |
-y,x-y+1,z+1/3 |
2_565 |
7 |
4 |
12181 |
59.7 |
-1.3 |
0.376 |
0 |
0 |
0 |
0.007 |
40 |
|
P |
10 |
5 |
12338 |
◊ |
K |
x,y,z |
1_555 |
9 |
6 |
12174 |
47.7 |
-0.8 |
0.554 |
0 |
0 |
0 |
0.007 |
| Average: |
58.3 |
-1.0 |
0.458 |
0 |
0 |
0 |
0.007 |
| 10 |
41 |
|
[FE]E:301 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
4 |
3 |
12179 |
58.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.607 |
42 |
|
[FE]K:301 |
1 |
1 |
137 |
f |
K |
x,y,z |
1_555 |
4 |
3 |
12174 |
58.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.607 |
43 |
|
[FE]I:301 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
5 |
3 |
12188 |
58.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.607 |
44 |
|
[FE]A:301 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
12298 |
58.5 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.607 |
45 |
|
[FE]M:301 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
3 |
3 |
12286 |
58.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.607 |
46 |
|
[FE]G:301 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
4 |
3 |
12181 |
58.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.607 |
47 |
|
[FE]O:301 |
1 |
1 |
137 |
f |
O |
x,y,z |
1_555 |
3 |
3 |
12242 |
57.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.607 |
48 |
|
[FE]C:301 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
12167 |
57.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.607 |
| Average: |
58.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.607 |
| 11 |
49 |
|
[FE]C:301 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
12302 |
25.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.029 |
50 |
|
[FE]O:301 |
1 |
1 |
137 |
◊ |
P |
x,y,z |
1_555 |
5 |
2 |
12338 |
23.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
51 |
|
[FE]M:301 |
1 |
1 |
137 |
◊ |
N |
x,y,z |
1_555 |
5 |
3 |
12296 |
23.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.029 |
52 |
|
[FE]G:301 |
1 |
1 |
137 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
12309 |
22.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
53 |
|
[FE]I:301 |
1 |
1 |
137 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
12325 |
22.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
54 |
|
[FE]K:301 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
12292 |
22.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
55 |
|
[FE]A:301 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12339 |
22.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
56 |
|
[FE]E:301 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
12348 |
21.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
23.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
| 12 |
57 |
|
I |
1 |
1 |
12188 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
12339 |
19.0 |
-0.3 |
0.309 |
0 |
0 |
0 |
0.002 |
58 |
|
P |
2 |
1 |
12338 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
12286 |
19.0 |
-0.2 |
0.327 |
0 |
0 |
0 |
0.002 |
59 |
|
N |
2 |
1 |
12296 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
12242 |
18.9 |
-0.2 |
0.322 |
0 |
0 |
0 |
0.002 |
60 |
|
J |
2 |
1 |
12325 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
12298 |
15.9 |
-0.2 |
0.332 |
0 |
0 |
0 |
0.002 |
| Average: |
18.2 |
-0.2 |
0.322 |
0 |
0 |
0 |
0.002 |
|