## |
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 |
375 |
95 |
14109 |
◊ |
C |
x,y,z |
1_555 |
363 |
84 |
11778 |
3664.3 |
-29.0 |
0.225 |
59 |
19 |
0 |
0.807 |
2 |
|
B |
373 |
95 |
14048 |
◊ |
A |
x,y,z |
1_555 |
358 |
84 |
11737 |
3660.5 |
-29.6 |
0.235 |
58 |
21 |
0 |
0.807 |
3 |
|
J |
376 |
94 |
14091 |
◊ |
I |
x,y,z |
1_555 |
359 |
84 |
11693 |
3652.8 |
-27.9 |
0.242 |
59 |
20 |
0 |
0.807 |
4 |
|
L |
377 |
95 |
14073 |
◊ |
K |
x,y,z |
1_555 |
361 |
84 |
11753 |
3648.9 |
-28.0 |
0.241 |
60 |
20 |
0 |
0.807 |
5 |
|
F |
373 |
94 |
14080 |
◊ |
E |
x,y,z |
1_555 |
360 |
83 |
11742 |
3641.9 |
-28.7 |
0.247 |
56 |
20 |
0 |
0.807 |
6 |
|
H |
372 |
95 |
14098 |
◊ |
G |
x,y,z |
1_555 |
361 |
83 |
11705 |
3639.1 |
-31.0 |
0.218 |
58 |
20 |
0 |
0.807 |
Average: |
3651.3 |
-29.0 |
0.235 |
58 |
20 |
0 |
0.807 |
2 |
7 |
|
D |
175 |
42 |
14109 |
◊ |
D |
-x,y,-z |
2_555 |
175 |
42 |
14109 |
1677.6 |
-32.3 |
0.025 |
6 |
0 |
0 |
0.609 |
8 |
|
J |
172 |
42 |
14091 |
◊ |
J |
-x,y,-z |
2_555 |
171 |
42 |
14091 |
1662.8 |
-31.2 |
0.028 |
6 |
0 |
0 |
0.609 |
9 |
|
L |
171 |
42 |
14073 |
◊ |
F |
-x,y,-z |
2_555 |
171 |
42 |
14080 |
1659.3 |
-31.8 |
0.025 |
6 |
0 |
0 |
0.609 |
10 |
|
H |
170 |
42 |
14098 |
◊ |
B |
x,y,z |
1_555 |
170 |
42 |
14048 |
1649.5 |
-31.3 |
0.027 |
6 |
0 |
0 |
0.609 |
Average: |
1662.3 |
-31.6 |
0.026 |
6 |
0 |
0 |
0.609 |
3 |
11 |
|
F |
44 |
12 |
14080 |
◊ |
D |
-x,y,-z |
2_555 |
45 |
16 |
14109 |
429.9 |
-3.6 |
0.318 |
8 |
0 |
0 |
0.167 |
12 |
|
H |
40 |
11 |
14098 |
◊ |
F |
-x,y,-z |
2_555 |
46 |
16 |
14080 |
427.1 |
-3.5 |
0.294 |
7 |
0 |
0 |
0.167 |
13 |
|
H |
45 |
15 |
14098 |
◊ |
D |
x,y,z |
1_555 |
40 |
11 |
14109 |
420.2 |
-3.1 |
0.319 |
7 |
0 |
0 |
0.167 |
14 |
|
J |
40 |
10 |
14091 |
◊ |
B |
x,y,z |
1_555 |
46 |
15 |
14048 |
419.5 |
-4.0 |
0.253 |
7 |
0 |
0 |
0.167 |
15 |
|
L |
39 |
10 |
14073 |
◊ |
J |
-x,y,-z |
2_555 |
47 |
16 |
14091 |
418.6 |
-3.7 |
0.269 |
6 |
0 |
0 |
0.167 |
16 |
|
L |
46 |
15 |
14073 |
◊ |
B |
-x,y,-z |
2_555 |
38 |
9 |
14048 |
414.8 |
-3.4 |
0.274 |
6 |
0 |
0 |
0.167 |
Average: |
421.7 |
-3.5 |
0.288 |
7 |
0 |
0 |
0.167 |
4 |
17 |
|
F |
34 |
10 |
14080 |
◊ |
D |
x,y,z |
1_555 |
37 |
11 |
14109 |
360.5 |
-1.4 |
0.675 |
5 |
1 |
0 |
0.096 |
18 |
|
L |
35 |
11 |
14073 |
◊ |
H |
x,y,z |
1_555 |
36 |
12 |
14098 |
355.9 |
-1.5 |
0.665 |
4 |
1 |
0 |
0.096 |
19 |
|
L |
31 |
10 |
14073 |
◊ |
J |
x,y,z |
1_555 |
34 |
11 |
14091 |
349.4 |
-1.2 |
0.675 |
5 |
1 |
0 |
0.096 |
20 |
|
D |
34 |
10 |
14109 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
14048 |
346.8 |
-1.6 |
0.660 |
5 |
1 |
0 |
0.096 |
21 |
|
J |
34 |
11 |
14091 |
◊ |
H |
x,y,z |
1_555 |
36 |
11 |
14098 |
346.6 |
-1.6 |
0.655 |
5 |
1 |
0 |
0.096 |
22 |
|
F |
35 |
11 |
14080 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
14048 |
345.8 |
-1.5 |
0.673 |
5 |
1 |
0 |
0.096 |
Average: |
350.8 |
-1.5 |
0.667 |
5 |
1 |
0 |
0.096 |
5 |
23 |
|
A |
34 |
12 |
11737 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
36 |
11 |
11778 |
293.8 |
0.9 |
0.768 |
5 |
1 |
0 |
0.000 |
6 |
24 |
|
J |
25 |
7 |
14091 |
◊ |
K |
-x,y,-z |
2_555 |
18 |
4 |
11753 |
213.0 |
-2.5 |
0.183 |
3 |
2 |
0 |
0.053 |
25 |
|
B |
26 |
7 |
14048 |
◊ |
I |
x,y,z |
1_555 |
17 |
3 |
11693 |
207.7 |
-2.8 |
0.176 |
3 |
2 |
0 |
0.053 |
26 |
|
L |
26 |
7 |
14073 |
◊ |
A |
-x,y,-z |
2_555 |
17 |
3 |
11737 |
207.4 |
-2.8 |
0.176 |
3 |
2 |
0 |
0.053 |
27 |
|
D |
25 |
7 |
14109 |
◊ |
E |
-x,y,-z |
2_555 |
17 |
3 |
11742 |
207.4 |
-2.8 |
0.176 |
3 |
2 |
0 |
0.053 |
28 |
|
F |
26 |
7 |
14080 |
◊ |
G |
-x,y,-z |
2_555 |
17 |
3 |
11705 |
207.1 |
-2.8 |
0.164 |
3 |
2 |
0 |
0.053 |
29 |
|
H |
25 |
7 |
14098 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
11778 |
207.0 |
-2.8 |
0.172 |
3 |
2 |
0 |
0.053 |
Average: |
208.3 |
-2.7 |
0.174 |
3 |
2 |
0 |
0.053 |
7 |
30 |
|
G |
17 |
6 |
11705 |
◊ |
E |
x-1/2,y-1/2,z+1/2 |
3_445 |
29 |
9 |
11742 |
211.6 |
-0.1 |
0.658 |
3 |
0 |
0 |
0.000 |
8 |
31 |
|
I |
25 |
8 |
11693 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
22 |
9 |
11737 |
175.3 |
1.7 |
0.839 |
4 |
0 |
0 |
0.000 |
9 |
32 |
|
L |
16 |
8 |
14073 |
◊ |
G |
x,y,z |
1_555 |
18 |
6 |
11705 |
157.9 |
-1.8 |
0.394 |
0 |
0 |
0 |
0.019 |
33 |
|
D |
16 |
8 |
14109 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
11742 |
155.8 |
-2.0 |
0.360 |
0 |
0 |
0 |
0.019 |
34 |
|
B |
16 |
8 |
14048 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
11778 |
154.8 |
-2.1 |
0.345 |
0 |
0 |
0 |
0.019 |
35 |
|
F |
17 |
9 |
14080 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
11737 |
153.9 |
-2.0 |
0.375 |
0 |
0 |
0 |
0.019 |
36 |
|
J |
17 |
8 |
14091 |
◊ |
K |
x,y,z |
1_555 |
17 |
5 |
11753 |
153.2 |
-2.1 |
0.341 |
0 |
0 |
0 |
0.019 |
37 |
|
H |
16 |
8 |
14098 |
◊ |
I |
x,y,z |
1_555 |
17 |
5 |
11693 |
149.2 |
-2.0 |
0.369 |
0 |
0 |
0 |
0.019 |
Average: |
154.1 |
-2.0 |
0.364 |
0 |
0 |
0 |
0.019 |
10 |
38 |
|
K |
16 |
6 |
11753 |
◊ |
G |
x,y,z |
1_555 |
15 |
4 |
11705 |
146.0 |
1.4 |
0.760 |
1 |
3 |
0 |
0.000 |
39 |
|
E |
15 |
4 |
11742 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
11778 |
144.5 |
1.7 |
0.784 |
2 |
3 |
0 |
0.000 |
40 |
|
C |
15 |
4 |
11778 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11737 |
141.3 |
1.4 |
0.780 |
2 |
3 |
0 |
0.000 |
41 |
|
I |
15 |
4 |
11693 |
◊ |
G |
x,y,z |
1_555 |
15 |
5 |
11705 |
140.3 |
1.4 |
0.788 |
1 |
3 |
0 |
0.000 |
42 |
|
K |
15 |
4 |
11753 |
◊ |
I |
x,y,z |
1_555 |
13 |
5 |
11693 |
134.8 |
1.3 |
0.757 |
2 |
3 |
0 |
0.000 |
43 |
|
E |
13 |
5 |
11742 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
11737 |
131.1 |
1.3 |
0.758 |
2 |
2 |
0 |
0.000 |
Average: |
139.7 |
1.4 |
0.771 |
2 |
3 |
0 |
0.000 |
11 |
44 |
|
H |
14 |
5 |
14098 |
◊ |
G |
-x,y,-z+1 |
2_556 |
11 |
3 |
11705 |
117.5 |
-1.4 |
0.398 |
0 |
0 |
0 |
0.000 |
12 |
45 |
|
J |
16 |
6 |
14091 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
14 |
5 |
11737 |
105.6 |
-0.6 |
0.564 |
0 |
0 |
0 |
0.000 |
13 |
46 |
|
[FE]H:600 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
14098 |
69.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.429 |
47 |
|
[FE]L:600 |
1 |
1 |
137 |
f |
L |
x,y,z |
1_555 |
12 |
7 |
14073 |
69.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.429 |
48 |
|
[FE]B:600 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
14048 |
68.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.429 |
49 |
|
[FE]J:600 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
12 |
7 |
14091 |
67.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.429 |
50 |
|
[FE]F:600 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
14080 |
67.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.429 |
51 |
|
[FE]D:600 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
14109 |
66.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.429 |
Average: |
68.0 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.429 |
14 |
52 |
|
J |
3 |
1 |
14091 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11705 |
41.5 |
1.0 |
0.898 |
2 |
0 |
0 |
0.000 |
53 |
|
D |
3 |
1 |
14109 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11737 |
40.6 |
1.0 |
0.891 |
2 |
0 |
0 |
0.000 |
54 |
|
F |
3 |
1 |
14080 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11778 |
40.4 |
0.9 |
0.889 |
2 |
0 |
0 |
0.000 |
55 |
|
H |
3 |
1 |
14098 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
11753 |
40.4 |
1.0 |
0.890 |
2 |
0 |
0 |
0.000 |
56 |
|
B |
3 |
1 |
14048 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11742 |
40.2 |
1.0 |
0.892 |
2 |
0 |
0 |
0.000 |
57 |
|
L |
3 |
1 |
14073 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
11693 |
40.2 |
1.0 |
0.896 |
2 |
0 |
0 |
0.000 |
Average: |
40.5 |
1.0 |
0.893 |
2 |
0 |
0 |
0.000 |
15 |
58 |
|
A |
5 |
1 |
11737 |
◊ |
E |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
5 |
2 |
11742 |
35.9 |
0.2 |
0.657 |
0 |
0 |
0 |
0.000 |
16 |
59 |
|
I |
2 |
1 |
11693 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
11778 |
35.0 |
-1.1 |
0.091 |
0 |
0 |
0 |
0.000 |
17 |
60 |
|
[FE]D:600 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
11778 |
22.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
61 |
|
[FE]F:600 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
11742 |
20.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.037 |
62 |
|
[FE]J:600 |
1 |
1 |
137 |
◊ |
I |
x,y,z |
1_555 |
5 |
3 |
11693 |
17.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.037 |
63 |
|
[FE]H:600 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
11705 |
17.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.037 |
64 |
|
[FE]L:600 |
1 |
1 |
137 |
◊ |
K |
x,y,z |
1_555 |
6 |
4 |
11753 |
17.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.037 |
65 |
|
[FE]B:600 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11737 |
16.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
18.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.037 |
18 |
66 |
|
B |
2 |
1 |
14048 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
3 |
2 |
11778 |
17.5 |
-0.5 |
0.310 |
0 |
0 |
0 |
0.000 |
19 |
67 |
|
G |
1 |
1 |
11705 |
◊ |
G |
-x,y,-z+1 |
2_556 |
1 |
1 |
11705 |
14.1 |
0.3 |
0.839 |
0 |
0 |
0 |
0.000 |
20 |
68 |
|
B |
1 |
1 |
14048 |
◊ |
G |
-x,y,-z+1 |
2_556 |
1 |
1 |
11705 |
9.0 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
|