## |
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 |
370 |
96 |
13986 |
◊ |
C |
x,y,z |
1_555 |
360 |
85 |
11703 |
3611.1 |
-31.0 |
0.235 |
58 |
21 |
0 |
0.822 |
2 |
|
L |
373 |
95 |
14020 |
◊ |
K |
x,y,z |
1_555 |
353 |
84 |
11672 |
3599.9 |
-29.1 |
0.283 |
56 |
20 |
0 |
0.822 |
3 |
|
H |
370 |
95 |
13969 |
◊ |
G |
x,y,z |
1_555 |
357 |
85 |
11719 |
3597.3 |
-29.5 |
0.268 |
56 |
19 |
0 |
0.822 |
4 |
|
J |
365 |
96 |
13990 |
◊ |
I |
x,y,z |
1_555 |
353 |
85 |
11670 |
3590.5 |
-28.4 |
0.296 |
58 |
20 |
0 |
0.822 |
5 |
|
B |
375 |
96 |
13933 |
◊ |
A |
x,y,z |
1_555 |
354 |
84 |
11758 |
3587.4 |
-29.9 |
0.270 |
52 |
21 |
0 |
0.822 |
6 |
|
F |
373 |
95 |
13957 |
◊ |
E |
x,y,z |
1_555 |
347 |
83 |
11689 |
3572.2 |
-27.4 |
0.304 |
60 |
20 |
0 |
0.822 |
Average: |
3593.1 |
-29.2 |
0.276 |
57 |
20 |
0 |
0.822 |
2 |
7 |
|
J |
167 |
42 |
13990 |
◊ |
J |
-x,y,-z |
2_555 |
166 |
42 |
13990 |
1639.3 |
-31.5 |
0.028 |
8 |
0 |
0 |
0.604 |
8 |
|
D |
166 |
42 |
13986 |
◊ |
D |
-x,y,-z |
2_555 |
166 |
42 |
13986 |
1639.2 |
-31.9 |
0.025 |
6 |
0 |
0 |
0.604 |
9 |
|
L |
170 |
42 |
14020 |
◊ |
F |
-x,y,-z |
2_555 |
171 |
42 |
13957 |
1627.3 |
-31.9 |
0.030 |
6 |
0 |
0 |
0.604 |
10 |
|
H |
168 |
42 |
13969 |
◊ |
B |
x,y,z |
1_555 |
171 |
42 |
13933 |
1610.9 |
-30.8 |
0.036 |
8 |
0 |
0 |
0.604 |
Average: |
1629.2 |
-31.5 |
0.030 |
7 |
0 |
0 |
0.604 |
3 |
11 |
|
H |
43 |
17 |
13969 |
◊ |
D |
x,y,z |
1_555 |
37 |
11 |
13986 |
413.2 |
-3.0 |
0.295 |
10 |
0 |
0 |
0.178 |
12 |
|
J |
37 |
10 |
13990 |
◊ |
B |
x,y,z |
1_555 |
48 |
16 |
13933 |
412.4 |
-3.2 |
0.279 |
9 |
0 |
0 |
0.178 |
13 |
|
L |
50 |
17 |
14020 |
◊ |
B |
-x,y,-z |
2_555 |
38 |
10 |
13933 |
412.3 |
-3.3 |
0.302 |
8 |
0 |
0 |
0.178 |
14 |
|
F |
38 |
10 |
13957 |
◊ |
D |
-x,y,-z |
2_555 |
46 |
16 |
13986 |
411.6 |
-3.3 |
0.259 |
10 |
0 |
0 |
0.178 |
15 |
|
L |
37 |
11 |
14020 |
◊ |
J |
-x,y,-z |
2_555 |
47 |
17 |
13990 |
410.8 |
-3.4 |
0.275 |
7 |
0 |
0 |
0.178 |
16 |
|
H |
35 |
9 |
13969 |
◊ |
F |
-x,y,-z |
2_555 |
46 |
17 |
13957 |
407.7 |
-4.2 |
0.223 |
8 |
0 |
0 |
0.178 |
Average: |
411.3 |
-3.4 |
0.272 |
9 |
0 |
0 |
0.178 |
4 |
17 |
|
F |
37 |
13 |
13957 |
◊ |
D |
x,y,z |
1_555 |
38 |
11 |
13986 |
361.5 |
-1.8 |
0.669 |
6 |
1 |
0 |
0.111 |
18 |
|
J |
36 |
14 |
13990 |
◊ |
H |
x,y,z |
1_555 |
37 |
11 |
13969 |
357.0 |
-1.9 |
0.652 |
6 |
1 |
0 |
0.111 |
19 |
|
L |
36 |
12 |
14020 |
◊ |
J |
x,y,z |
1_555 |
34 |
11 |
13990 |
356.7 |
-1.6 |
0.672 |
6 |
1 |
0 |
0.111 |
20 |
|
L |
32 |
10 |
14020 |
◊ |
H |
x,y,z |
1_555 |
34 |
11 |
13969 |
355.7 |
-2.1 |
0.607 |
4 |
1 |
0 |
0.111 |
21 |
|
F |
35 |
10 |
13957 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
13933 |
349.4 |
-2.0 |
0.624 |
6 |
1 |
0 |
0.111 |
22 |
|
D |
33 |
12 |
13986 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
13933 |
347.4 |
-2.1 |
0.614 |
5 |
2 |
0 |
0.111 |
Average: |
354.6 |
-1.9 |
0.640 |
6 |
1 |
0 |
0.111 |
5 |
23 |
|
A |
34 |
12 |
11758 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
30 |
11 |
11703 |
295.6 |
1.9 |
0.851 |
7 |
1 |
0 |
0.000 |
6 |
24 |
|
F |
25 |
7 |
13957 |
◊ |
G |
-x,y,-z |
2_555 |
18 |
4 |
11719 |
218.2 |
-2.9 |
0.170 |
3 |
2 |
0 |
0.055 |
25 |
|
J |
23 |
7 |
13990 |
◊ |
K |
-x,y,-z |
2_555 |
17 |
3 |
11672 |
217.3 |
-2.5 |
0.169 |
3 |
2 |
0 |
0.055 |
26 |
|
B |
23 |
7 |
13933 |
◊ |
I |
x,y,z |
1_555 |
18 |
4 |
11670 |
213.6 |
-2.9 |
0.179 |
3 |
2 |
0 |
0.055 |
27 |
|
D |
24 |
7 |
13986 |
◊ |
E |
-x,y,-z |
2_555 |
18 |
4 |
11689 |
212.5 |
-3.1 |
0.167 |
3 |
2 |
0 |
0.055 |
28 |
|
H |
26 |
7 |
13969 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
11703 |
208.9 |
-2.8 |
0.192 |
3 |
2 |
0 |
0.055 |
29 |
|
L |
24 |
7 |
14020 |
◊ |
A |
-x,y,-z |
2_555 |
17 |
3 |
11758 |
207.2 |
-2.9 |
0.181 |
3 |
2 |
0 |
0.055 |
Average: |
213.0 |
-2.8 |
0.176 |
3 |
2 |
0 |
0.055 |
7 |
30 |
|
G |
18 |
6 |
11719 |
◊ |
E |
x-1/2,y-1/2,z+1/2 |
3_445 |
25 |
8 |
11689 |
201.7 |
0.1 |
0.642 |
2 |
0 |
0 |
0.000 |
8 |
31 |
|
I |
23 |
8 |
11670 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
21 |
8 |
11758 |
171.1 |
1.4 |
0.801 |
4 |
0 |
0 |
0.000 |
9 |
32 |
|
D |
17 |
8 |
13986 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
11689 |
158.8 |
-2.1 |
0.375 |
0 |
0 |
0 |
0.021 |
33 |
|
B |
16 |
8 |
13933 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
11703 |
153.5 |
-2.4 |
0.319 |
0 |
0 |
0 |
0.021 |
34 |
|
H |
16 |
8 |
13969 |
◊ |
I |
x,y,z |
1_555 |
19 |
5 |
11670 |
152.3 |
-2.1 |
0.366 |
0 |
0 |
0 |
0.021 |
35 |
|
J |
16 |
8 |
13990 |
◊ |
K |
x,y,z |
1_555 |
18 |
5 |
11672 |
151.7 |
-2.2 |
0.334 |
0 |
0 |
0 |
0.021 |
36 |
|
L |
18 |
8 |
14020 |
◊ |
G |
x,y,z |
1_555 |
18 |
6 |
11719 |
145.0 |
-2.4 |
0.345 |
0 |
0 |
0 |
0.021 |
37 |
|
F |
15 |
6 |
13957 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
11758 |
144.6 |
-2.4 |
0.296 |
0 |
0 |
0 |
0.021 |
Average: |
151.0 |
-2.3 |
0.339 |
0 |
0 |
0 |
0.021 |
10 |
38 |
|
E |
14 |
4 |
11689 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
11703 |
143.7 |
1.5 |
0.787 |
2 |
3 |
0 |
0.000 |
39 |
|
C |
14 |
4 |
11703 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
11758 |
143.5 |
1.2 |
0.779 |
1 |
2 |
0 |
0.000 |
40 |
|
K |
14 |
5 |
11672 |
◊ |
G |
x,y,z |
1_555 |
16 |
4 |
11719 |
139.0 |
1.2 |
0.768 |
2 |
3 |
0 |
0.000 |
41 |
|
K |
15 |
4 |
11672 |
◊ |
I |
x,y,z |
1_555 |
14 |
5 |
11670 |
137.7 |
1.2 |
0.750 |
2 |
3 |
0 |
0.000 |
42 |
|
I |
15 |
4 |
11670 |
◊ |
G |
x,y,z |
1_555 |
14 |
5 |
11719 |
133.9 |
1.1 |
0.772 |
1 |
2 |
0 |
0.000 |
43 |
|
E |
14 |
6 |
11689 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
11758 |
132.2 |
1.1 |
0.774 |
2 |
2 |
0 |
0.000 |
Average: |
138.3 |
1.2 |
0.772 |
2 |
3 |
0 |
0.000 |
11 |
44 |
|
[DHB]F:2550 |
11 |
1 |
290 |
f |
F |
x,y,z |
1_555 |
18 |
8 |
13957 |
128.6 |
3.0 |
0.411 |
4 |
0 |
0 |
0.000 |
45 |
|
[DHB]H:3550 |
11 |
1 |
285 |
f |
H |
x,y,z |
1_555 |
18 |
9 |
13969 |
127.8 |
2.8 |
0.450 |
4 |
0 |
0 |
0.000 |
46 |
|
[DHB]D:1550 |
11 |
1 |
286 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
13986 |
127.4 |
2.4 |
0.389 |
4 |
0 |
0 |
0.000 |
Average: |
127.9 |
2.7 |
0.417 |
4 |
0 |
0 |
0.000 |
12 |
47 |
|
[DHB]J:4550 |
11 |
1 |
288 |
f |
J |
x,y,z |
1_555 |
19 |
9 |
13990 |
128.2 |
2.5 |
0.397 |
5 |
0 |
0 |
0.000 |
48 |
|
[DHB]B:550 |
11 |
1 |
287 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
13933 |
126.9 |
2.8 |
0.449 |
4 |
0 |
0 |
0.000 |
Average: |
127.5 |
2.7 |
0.423 |
5 |
0 |
0 |
0.000 |
13 |
49 |
|
[DHB]L:5550 |
11 |
1 |
282 |
f |
L |
x,y,z |
1_555 |
18 |
9 |
14020 |
126.0 |
2.9 |
0.411 |
4 |
0 |
0 |
0.000 |
14 |
50 |
|
H |
14 |
5 |
13969 |
◊ |
G |
-x,y,-z+1 |
2_556 |
13 |
3 |
11719 |
115.6 |
-1.4 |
0.412 |
0 |
0 |
0 |
0.000 |
15 |
51 |
|
J |
15 |
6 |
13990 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
14 |
4 |
11758 |
107.9 |
0.2 |
0.717 |
1 |
0 |
0 |
0.000 |
16 |
52 |
|
[DHB]B:550 |
10 |
1 |
287 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
11758 |
90.4 |
1.0 |
0.283 |
1 |
0 |
0 |
0.000 |
53 |
|
[DHB]J:4550 |
10 |
1 |
288 |
◊ |
I |
x,y,z |
1_555 |
13 |
6 |
11670 |
90.1 |
1.0 |
0.246 |
2 |
0 |
0 |
0.000 |
Average: |
90.2 |
1.0 |
0.264 |
2 |
0 |
0 |
0.000 |
17 |
54 |
|
[DHB]L:5550 |
10 |
1 |
282 |
◊ |
K |
x,y,z |
1_555 |
15 |
7 |
11672 |
88.9 |
0.8 |
0.255 |
0 |
0 |
0 |
0.000 |
18 |
55 |
|
[DHB]F:2550 |
10 |
1 |
290 |
◊ |
E |
x,y,z |
1_555 |
14 |
7 |
11689 |
88.1 |
1.0 |
0.260 |
1 |
0 |
0 |
0.000 |
56 |
|
[DHB]H:3550 |
10 |
1 |
285 |
◊ |
G |
x,y,z |
1_555 |
12 |
7 |
11719 |
87.9 |
1.0 |
0.270 |
1 |
0 |
0 |
0.000 |
57 |
|
[DHB]D:1550 |
10 |
1 |
286 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
11703 |
85.6 |
0.9 |
0.215 |
0 |
0 |
0 |
0.000 |
Average: |
87.2 |
1.0 |
0.249 |
1 |
0 |
0 |
0.000 |
19 |
58 |
|
[FE]H:3600 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
13969 |
56.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.324 |
59 |
|
[FE]L:5600 |
1 |
1 |
137 |
f |
L |
x,y,z |
1_555 |
10 |
7 |
14020 |
56.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.324 |
60 |
|
[FE]D:1600 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
13986 |
55.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.324 |
61 |
|
[FE]F:2600 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
13957 |
55.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.324 |
62 |
|
[FE]B:600 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
13933 |
54.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.324 |
63 |
|
[FE]J:4600 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
12 |
7 |
13990 |
54.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.324 |
Average: |
55.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.324 |
20 |
64 |
|
J |
3 |
1 |
13990 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11719 |
41.2 |
1.0 |
0.892 |
2 |
0 |
0 |
0.000 |
65 |
|
D |
3 |
1 |
13986 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11758 |
40.5 |
0.9 |
0.888 |
2 |
0 |
0 |
0.000 |
66 |
|
H |
3 |
1 |
13969 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
11672 |
40.3 |
0.9 |
0.870 |
2 |
0 |
0 |
0.000 |
67 |
|
B |
3 |
1 |
13933 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11689 |
39.8 |
0.9 |
0.886 |
2 |
0 |
0 |
0.000 |
68 |
|
F |
3 |
1 |
13957 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11703 |
39.3 |
0.9 |
0.879 |
2 |
0 |
0 |
0.000 |
69 |
|
L |
3 |
1 |
14020 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
11670 |
38.1 |
0.9 |
0.878 |
2 |
0 |
0 |
0.000 |
Average: |
39.9 |
0.9 |
0.882 |
2 |
0 |
0 |
0.000 |
21 |
70 |
|
A |
5 |
1 |
11758 |
◊ |
E |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
6 |
2 |
11689 |
34.7 |
0.2 |
0.668 |
0 |
0 |
0 |
0.000 |
22 |
71 |
|
[DHB]F:2550 |
5 |
1 |
290 |
f |
[FE]F:2600 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.119 |
72 |
|
[DHB]H:3550 |
5 |
1 |
285 |
f |
[FE]H:3600 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.119 |
73 |
|
[DHB]D:1550 |
5 |
1 |
286 |
f |
[FE]D:1600 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.119 |
74 |
|
[DHB]L:5550 |
5 |
1 |
282 |
f |
[FE]L:5600 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.119 |
75 |
|
[DHB]B:550 |
5 |
1 |
287 |
f |
[FE]B:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.119 |
76 |
|
[DHB]J:4550 |
5 |
1 |
288 |
f |
[FE]J:4600 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
30.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.119 |
23 |
77 |
|
B |
2 |
1 |
13933 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
5 |
2 |
11703 |
28.1 |
-0.7 |
0.283 |
0 |
0 |
0 |
0.000 |
24 |
78 |
|
[FE]J:4600 |
1 |
1 |
137 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
11670 |
20.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.032 |
79 |
|
[FE]B:600 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
11758 |
18.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.032 |
80 |
|
[FE]D:1600 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
11703 |
16.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
81 |
|
[FE]H:3600 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
4 |
4 |
11719 |
15.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
82 |
|
[FE]F:2600 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
4 |
4 |
11689 |
14.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.032 |
83 |
|
[FE]L:5600 |
1 |
1 |
137 |
◊ |
K |
x,y,z |
1_555 |
5 |
4 |
11672 |
13.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
16.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.032 |
25 |
84 |
|
I |
2 |
1 |
11670 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
11703 |
18.4 |
-0.6 |
0.240 |
0 |
0 |
0 |
0.000 |
26 |
85 |
|
G |
1 |
1 |
11719 |
◊ |
G |
-x,y,-z+1 |
2_556 |
1 |
1 |
11719 |
16.1 |
0.4 |
0.857 |
0 |
0 |
0 |
0.000 |
27 |
86 |
|
B |
1 |
1 |
13933 |
◊ |
G |
-x,y,-z+1 |
2_556 |
1 |
1 |
11719 |
8.2 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
|