## |
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 |
|
F |
375 |
95 |
13978 |
◊ |
E |
x,y,z |
1_555 |
360 |
82 |
11593 |
3661.7 |
-30.4 |
0.237 |
57 |
21 |
0 |
0.803 |
2 |
|
J |
377 |
95 |
13974 |
◊ |
I |
x,y,z |
1_555 |
353 |
84 |
11629 |
3657.2 |
-31.4 |
0.205 |
56 |
21 |
0 |
0.803 |
3 |
|
H |
384 |
95 |
13956 |
◊ |
G |
x,y,z |
1_555 |
361 |
83 |
11577 |
3656.3 |
-29.3 |
0.240 |
61 |
22 |
0 |
0.803 |
4 |
|
L |
374 |
95 |
13982 |
◊ |
K |
x,y,z |
1_555 |
361 |
83 |
11581 |
3648.2 |
-30.3 |
0.216 |
58 |
22 |
0 |
0.803 |
5 |
|
B |
373 |
95 |
13918 |
◊ |
A |
x,y,z |
1_555 |
362 |
85 |
11592 |
3645.7 |
-33.0 |
0.206 |
54 |
21 |
0 |
0.803 |
6 |
|
D |
369 |
94 |
13989 |
◊ |
C |
x,y,z |
1_555 |
360 |
84 |
11583 |
3636.2 |
-35.0 |
0.155 |
57 |
19 |
0 |
0.803 |
Average: |
3650.9 |
-31.6 |
0.210 |
57 |
21 |
0 |
0.803 |
2 |
7 |
|
J |
176 |
43 |
13974 |
◊ |
J |
-x,y,-z |
2_555 |
176 |
43 |
13974 |
1690.7 |
-31.2 |
0.039 |
8 |
0 |
0 |
0.597 |
8 |
|
D |
176 |
42 |
13989 |
◊ |
D |
-x,y,-z |
2_555 |
175 |
42 |
13989 |
1681.6 |
-31.9 |
0.035 |
8 |
0 |
0 |
0.597 |
9 |
|
H |
176 |
44 |
13956 |
◊ |
B |
x,y,z |
1_555 |
174 |
44 |
13918 |
1668.1 |
-30.4 |
0.042 |
8 |
0 |
0 |
0.597 |
10 |
|
L |
173 |
42 |
13982 |
◊ |
F |
-x,y,-z |
2_555 |
174 |
42 |
13978 |
1666.6 |
-30.9 |
0.036 |
7 |
0 |
0 |
0.597 |
Average: |
1676.7 |
-31.1 |
0.038 |
8 |
0 |
0 |
0.597 |
3 |
11 |
|
L |
43 |
11 |
13982 |
◊ |
J |
-x,y,-z |
2_555 |
52 |
19 |
13974 |
449.8 |
-4.2 |
0.262 |
7 |
0 |
0 |
0.180 |
12 |
|
J |
42 |
10 |
13974 |
◊ |
B |
x,y,z |
1_555 |
51 |
19 |
13918 |
448.7 |
-4.5 |
0.207 |
8 |
0 |
0 |
0.180 |
13 |
|
F |
42 |
11 |
13978 |
◊ |
D |
-x,y,-z |
2_555 |
53 |
20 |
13989 |
444.3 |
-4.2 |
0.234 |
10 |
0 |
0 |
0.180 |
14 |
|
H |
44 |
12 |
13956 |
◊ |
F |
-x,y,-z |
2_555 |
44 |
15 |
13978 |
435.2 |
-3.4 |
0.328 |
6 |
0 |
0 |
0.180 |
15 |
|
H |
46 |
17 |
13956 |
◊ |
D |
x,y,z |
1_555 |
43 |
11 |
13989 |
434.9 |
-3.4 |
0.311 |
8 |
0 |
0 |
0.180 |
16 |
|
L |
50 |
17 |
13982 |
◊ |
B |
-x,y,-z |
2_555 |
45 |
12 |
13918 |
432.4 |
-3.7 |
0.320 |
7 |
0 |
0 |
0.180 |
Average: |
440.9 |
-3.9 |
0.277 |
8 |
0 |
0 |
0.180 |
4 |
17 |
|
F |
38 |
11 |
13978 |
◊ |
D |
x,y,z |
1_555 |
38 |
13 |
13989 |
371.2 |
-1.6 |
0.683 |
4 |
1 |
0 |
0.095 |
18 |
|
J |
39 |
14 |
13974 |
◊ |
H |
x,y,z |
1_555 |
41 |
12 |
13956 |
367.5 |
-1.7 |
0.682 |
5 |
1 |
0 |
0.095 |
19 |
|
L |
36 |
11 |
13982 |
◊ |
J |
x,y,z |
1_555 |
38 |
12 |
13974 |
367.4 |
-1.6 |
0.670 |
4 |
1 |
0 |
0.095 |
20 |
|
F |
38 |
12 |
13978 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
13918 |
366.5 |
-1.7 |
0.667 |
4 |
1 |
0 |
0.095 |
21 |
|
L |
36 |
11 |
13982 |
◊ |
H |
x,y,z |
1_555 |
35 |
10 |
13956 |
364.3 |
-1.8 |
0.640 |
4 |
1 |
0 |
0.095 |
22 |
|
D |
34 |
12 |
13989 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
13918 |
360.8 |
-2.3 |
0.598 |
5 |
1 |
0 |
0.095 |
Average: |
366.3 |
-1.8 |
0.657 |
4 |
1 |
0 |
0.095 |
5 |
23 |
|
A |
36 |
12 |
11592 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
36 |
11 |
11583 |
303.3 |
1.1 |
0.786 |
4 |
1 |
0 |
0.000 |
6 |
24 |
|
G |
20 |
7 |
11577 |
◊ |
E |
x-1/2,y-1/2,z+1/2 |
3_445 |
28 |
9 |
11593 |
227.4 |
-0.1 |
0.640 |
2 |
0 |
0 |
0.000 |
7 |
25 |
|
L |
26 |
7 |
13982 |
◊ |
A |
-x,y,-z |
2_555 |
18 |
4 |
11592 |
211.3 |
-2.7 |
0.179 |
3 |
2 |
0 |
0.049 |
26 |
|
F |
25 |
7 |
13978 |
◊ |
G |
-x,y,-z |
2_555 |
18 |
4 |
11577 |
208.9 |
-2.7 |
0.187 |
2 |
2 |
0 |
0.049 |
27 |
|
J |
25 |
8 |
13974 |
◊ |
K |
-x,y,-z |
2_555 |
17 |
3 |
11581 |
207.6 |
-2.6 |
0.165 |
3 |
2 |
0 |
0.049 |
28 |
|
H |
24 |
7 |
13956 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
11583 |
206.5 |
-2.7 |
0.177 |
2 |
2 |
0 |
0.049 |
29 |
|
D |
23 |
7 |
13989 |
◊ |
E |
-x,y,-z |
2_555 |
18 |
3 |
11593 |
204.6 |
-2.7 |
0.180 |
2 |
2 |
0 |
0.049 |
30 |
|
B |
27 |
7 |
13918 |
◊ |
I |
x,y,z |
1_555 |
17 |
3 |
11629 |
204.5 |
-2.7 |
0.169 |
3 |
2 |
0 |
0.049 |
Average: |
207.2 |
-2.7 |
0.176 |
3 |
2 |
0 |
0.049 |
8 |
31 |
|
I |
26 |
9 |
11629 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
21 |
9 |
11592 |
184.8 |
1.9 |
0.852 |
4 |
0 |
0 |
0.000 |
9 |
32 |
|
L |
17 |
8 |
13982 |
◊ |
G |
x,y,z |
1_555 |
19 |
6 |
11577 |
166.0 |
-1.8 |
0.397 |
0 |
0 |
0 |
0.019 |
33 |
|
J |
17 |
8 |
13974 |
◊ |
K |
x,y,z |
1_555 |
18 |
5 |
11581 |
162.2 |
-2.1 |
0.359 |
0 |
0 |
0 |
0.019 |
34 |
|
D |
18 |
8 |
13989 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
11593 |
162.2 |
-2.1 |
0.362 |
0 |
0 |
0 |
0.019 |
35 |
|
F |
18 |
8 |
13978 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
11592 |
160.2 |
-2.3 |
0.336 |
0 |
0 |
0 |
0.019 |
36 |
|
H |
18 |
8 |
13956 |
◊ |
I |
x,y,z |
1_555 |
18 |
5 |
11629 |
159.3 |
-2.1 |
0.368 |
0 |
0 |
0 |
0.019 |
37 |
|
B |
17 |
8 |
13918 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
11583 |
156.7 |
-2.1 |
0.355 |
0 |
0 |
0 |
0.019 |
Average: |
161.1 |
-2.1 |
0.363 |
0 |
0 |
0 |
0.019 |
10 |
38 |
|
E |
15 |
4 |
11593 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
11583 |
150.2 |
1.6 |
0.794 |
2 |
3 |
0 |
0.000 |
39 |
|
K |
14 |
6 |
11581 |
◊ |
G |
x,y,z |
1_555 |
15 |
4 |
11577 |
147.0 |
1.2 |
0.759 |
2 |
4 |
0 |
0.000 |
40 |
|
C |
15 |
4 |
11583 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
11592 |
144.1 |
1.3 |
0.766 |
2 |
3 |
0 |
0.000 |
41 |
|
I |
15 |
4 |
11629 |
◊ |
G |
x,y,z |
1_555 |
14 |
6 |
11577 |
143.1 |
1.4 |
0.797 |
2 |
3 |
0 |
0.000 |
42 |
|
K |
15 |
4 |
11581 |
◊ |
I |
x,y,z |
1_555 |
13 |
5 |
11629 |
135.8 |
1.2 |
0.755 |
2 |
3 |
0 |
0.000 |
43 |
|
E |
13 |
5 |
11593 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
11592 |
127.3 |
1.0 |
0.752 |
2 |
3 |
0 |
0.000 |
Average: |
141.2 |
1.3 |
0.770 |
2 |
3 |
0 |
0.001 |
11 |
44 |
|
H |
14 |
5 |
13956 |
◊ |
G |
-x,y,-z+1 |
2_556 |
12 |
4 |
11577 |
120.7 |
-1.0 |
0.482 |
0 |
0 |
0 |
0.000 |
12 |
45 |
|
J |
17 |
7 |
13974 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
15 |
5 |
11592 |
115.1 |
-0.6 |
0.572 |
0 |
0 |
0 |
0.000 |
13 |
46 |
|
[FE]F:600 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
11 |
8 |
13978 |
70.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.425 |
47 |
|
[FE]H:600 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
12 |
8 |
13956 |
69.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.425 |
48 |
|
[FE]L:600 |
1 |
1 |
137 |
f |
L |
x,y,z |
1_555 |
13 |
8 |
13982 |
68.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.425 |
49 |
|
[FE]B:600 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
11 |
7 |
13918 |
68.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.425 |
50 |
|
[FE]D:600 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
10 |
7 |
13989 |
66.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.425 |
51 |
|
[FE]J:600 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
12 |
7 |
13974 |
65.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.425 |
Average: |
68.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.425 |
14 |
52 |
|
H |
4 |
1 |
13956 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
11581 |
43.1 |
1.0 |
0.874 |
2 |
0 |
0 |
0.000 |
53 |
|
F |
3 |
1 |
13978 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
11583 |
42.6 |
1.0 |
0.887 |
2 |
0 |
0 |
0.000 |
54 |
|
B |
3 |
1 |
13918 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11593 |
41.5 |
1.0 |
0.900 |
2 |
0 |
0 |
0.000 |
55 |
|
D |
3 |
1 |
13989 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11592 |
41.0 |
1.0 |
0.886 |
2 |
0 |
0 |
0.000 |
56 |
|
J |
3 |
1 |
13974 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11577 |
40.8 |
1.0 |
0.891 |
2 |
0 |
0 |
0.000 |
57 |
|
L |
3 |
1 |
13982 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
11629 |
40.7 |
1.0 |
0.886 |
2 |
0 |
0 |
0.000 |
Average: |
41.6 |
1.0 |
0.887 |
2 |
0 |
0 |
0.000 |
15 |
58 |
|
I |
2 |
1 |
11629 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
11583 |
35.1 |
-1.1 |
0.090 |
0 |
0 |
0 |
0.000 |
16 |
59 |
|
A |
5 |
1 |
11592 |
◊ |
E |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
5 |
2 |
11593 |
34.8 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
17 |
60 |
|
[FE]L:600 |
1 |
1 |
137 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
11581 |
27.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.042 |
61 |
|
[FE]J:600 |
1 |
1 |
137 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
11629 |
26.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.042 |
62 |
|
[FE]D:600 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11583 |
26.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.042 |
63 |
|
[FE]H:600 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
11577 |
26.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.042 |
64 |
|
[FE]B:600 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11592 |
26.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.042 |
65 |
|
[FE]F:600 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
11593 |
24.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
26.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.042 |
18 |
66 |
|
B |
2 |
1 |
13918 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
3 |
2 |
11583 |
21.8 |
-0.7 |
0.257 |
0 |
0 |
0 |
0.000 |
19 |
67 |
|
B |
3 |
1 |
13918 |
◊ |
G |
-x,y,-z+1 |
2_556 |
2 |
2 |
11577 |
18.1 |
0.3 |
0.749 |
0 |
0 |
0 |
0.000 |
20 |
68 |
|
G |
2 |
1 |
11577 |
◊ |
G |
-x,y,-z+1 |
2_556 |
2 |
1 |
11577 |
17.8 |
0.4 |
0.799 |
0 |
0 |
0 |
0.000 |
|