| ## |
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 |
186 |
48 |
11038 |
◊ |
C |
x,y,z |
1_555 |
201 |
56 |
18314 |
1834.7 |
-12.1 |
0.340 |
30 |
10 |
0 |
0.482 |
2 |
|
B |
188 |
46 |
10940 |
◊ |
A |
x,y,z |
1_555 |
202 |
56 |
18327 |
1819.9 |
-11.6 |
0.392 |
33 |
10 |
0 |
0.482 |
3 |
|
L |
189 |
46 |
10956 |
◊ |
K |
x,y,z |
1_555 |
199 |
55 |
18506 |
1810.5 |
-11.5 |
0.375 |
29 |
10 |
0 |
0.482 |
4 |
|
J |
198 |
50 |
10819 |
◊ |
I |
x,y,z |
1_555 |
206 |
57 |
18792 |
1810.1 |
-12.6 |
0.342 |
30 |
8 |
0 |
0.482 |
5 |
|
H |
186 |
48 |
11049 |
◊ |
G |
x,y,z |
1_555 |
196 |
53 |
18521 |
1799.5 |
-9.9 |
0.410 |
32 |
9 |
0 |
0.482 |
6 |
|
F |
182 |
49 |
10996 |
◊ |
E |
x,y,z |
1_555 |
196 |
56 |
18479 |
1745.8 |
-14.0 |
0.254 |
31 |
7 |
0 |
0.482 |
| Average: |
1803.4 |
-11.9 |
0.352 |
31 |
9 |
0 |
0.482 |
| 2 |
7 |
|
K |
173 |
48 |
18506 |
◊ |
I |
x,y,z |
1_555 |
175 |
40 |
18792 |
1624.2 |
-8.2 |
0.458 |
32 |
13 |
0 |
0.425 |
8 |
|
I |
173 |
44 |
18792 |
◊ |
G |
x,y,z |
1_555 |
176 |
39 |
18521 |
1614.6 |
-10.5 |
0.347 |
29 |
12 |
0 |
0.425 |
9 |
|
E |
177 |
40 |
18479 |
◊ |
A |
x,y,z |
1_555 |
167 |
44 |
18327 |
1599.5 |
-8.3 |
0.421 |
29 |
13 |
0 |
0.425 |
10 |
|
C |
168 |
47 |
18314 |
◊ |
A |
x,y,z |
1_555 |
172 |
40 |
18327 |
1596.1 |
-9.7 |
0.343 |
32 |
12 |
0 |
0.425 |
11 |
|
K |
174 |
40 |
18506 |
◊ |
G |
x,y,z |
1_555 |
169 |
43 |
18521 |
1595.6 |
-9.0 |
0.384 |
25 |
12 |
0 |
0.425 |
12 |
|
E |
163 |
44 |
18479 |
◊ |
C |
x,y,z |
1_555 |
169 |
38 |
18314 |
1574.1 |
-11.3 |
0.292 |
31 |
11 |
0 |
0.425 |
| Average: |
1600.7 |
-9.5 |
0.374 |
30 |
12 |
0 |
0.425 |
| 3 |
13 |
|
L |
168 |
41 |
10956 |
◊ |
J |
x,y,z |
1_555 |
161 |
44 |
10819 |
1568.5 |
-8.7 |
0.327 |
23 |
13 |
0 |
1.000 |
14 |
|
F |
166 |
41 |
10996 |
◊ |
D |
x,y,z |
1_555 |
160 |
44 |
11038 |
1554.8 |
-9.8 |
0.319 |
24 |
16 |
0 |
1.000 |
15 |
|
J |
170 |
41 |
10819 |
◊ |
H |
x,y,z |
1_555 |
163 |
44 |
11049 |
1550.2 |
-10.6 |
0.272 |
25 |
11 |
0 |
1.000 |
16 |
|
L |
160 |
44 |
10956 |
◊ |
H |
x,y,z |
1_555 |
166 |
41 |
11049 |
1547.5 |
-10.1 |
0.295 |
26 |
11 |
0 |
1.000 |
17 |
|
F |
158 |
46 |
10996 |
◊ |
B |
x,y,z |
1_555 |
163 |
41 |
10940 |
1535.7 |
-10.8 |
0.288 |
22 |
14 |
0 |
1.000 |
18 |
|
D |
163 |
40 |
11038 |
◊ |
B |
x,y,z |
1_555 |
157 |
43 |
10940 |
1520.7 |
-10.7 |
0.282 |
23 |
14 |
0 |
1.000 |
| Average: |
1546.2 |
-10.1 |
0.297 |
24 |
13 |
0 |
1.000 |
| 4 |
19 |
|
C |
71 |
26 |
18314 |
◊ |
I |
-x-1,y-1/2,-z-1 |
2_444 |
60 |
22 |
18792 |
568.5 |
1.7 |
0.825 |
1 |
0 |
0 |
0.000 |
| 5 |
20 |
|
K |
70 |
22 |
18506 |
◊ |
H |
x-1,y,z |
1_455 |
51 |
18 |
11049 |
469.7 |
0.9 |
0.770 |
6 |
1 |
0 |
0.000 |
21 |
|
D |
49 |
15 |
11038 |
◊ |
A |
x-1,y,z |
1_455 |
59 |
21 |
18327 |
409.8 |
0.4 |
0.735 |
1 |
0 |
0 |
0.000 |
| Average: |
439.7 |
0.6 |
0.753 |
4 |
1 |
0 |
0.000 |
| 6 |
22 |
|
E |
49 |
14 |
18479 |
◊ |
A |
x-1,y,z-1 |
1_454 |
40 |
14 |
18327 |
411.6 |
1.6 |
0.814 |
5 |
1 |
0 |
0.000 |
| 7 |
23 |
|
L |
29 |
7 |
10956 |
◊ |
I |
x,y,z |
1_555 |
36 |
13 |
18792 |
317.5 |
1.6 |
0.794 |
9 |
8 |
0 |
0.027 |
24 |
|
H |
30 |
7 |
11049 |
◊ |
K |
x,y,z |
1_555 |
36 |
12 |
18506 |
315.1 |
2.7 |
0.859 |
8 |
7 |
0 |
0.027 |
25 |
|
J |
30 |
7 |
10819 |
◊ |
G |
x,y,z |
1_555 |
36 |
12 |
18521 |
312.6 |
1.6 |
0.806 |
9 |
6 |
0 |
0.027 |
26 |
|
B |
30 |
8 |
10940 |
◊ |
E |
x,y,z |
1_555 |
35 |
11 |
18479 |
309.1 |
2.5 |
0.848 |
7 |
6 |
0 |
0.027 |
27 |
|
F |
31 |
7 |
10996 |
◊ |
C |
x,y,z |
1_555 |
36 |
13 |
18314 |
306.3 |
2.9 |
0.868 |
9 |
7 |
0 |
0.027 |
28 |
|
D |
29 |
7 |
11038 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
18327 |
306.2 |
2.7 |
0.840 |
10 |
7 |
0 |
0.027 |
| Average: |
311.1 |
2.3 |
0.836 |
9 |
7 |
0 |
0.027 |
| 8 |
29 |
|
C |
34 |
14 |
18314 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
39 |
12 |
18521 |
308.5 |
2.1 |
0.846 |
6 |
0 |
0 |
0.000 |
| 9 |
30 |
|
[DC4]A:1460 |
14 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
41 |
19 |
18327 |
245.1 |
-13.6 |
0.174 |
0 |
0 |
0 |
0.187 |
| 10 |
31 |
|
[DC4]C:1460 |
14 |
1 |
360 |
f |
C |
x,y,z |
1_555 |
42 |
18 |
18314 |
233.1 |
-14.0 |
0.112 |
0 |
0 |
0 |
0.191 |
| 11 |
32 |
|
H |
29 |
9 |
11049 |
◊ |
E |
x,y,z |
1_555 |
26 |
7 |
18479 |
231.6 |
-0.2 |
0.631 |
2 |
0 |
0 |
0.000 |
| 12 |
33 |
|
J |
20 |
8 |
10819 |
◊ |
F |
x,y,z-1 |
1_554 |
22 |
8 |
10996 |
213.8 |
0.9 |
0.709 |
2 |
0 |
0 |
0.000 |
34 |
|
H |
22 |
7 |
11049 |
◊ |
B |
x,y,z-1 |
1_554 |
20 |
7 |
10940 |
207.8 |
0.5 |
0.700 |
3 |
1 |
0 |
0.000 |
35 |
|
L |
22 |
7 |
10956 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
8 |
11038 |
204.8 |
1.2 |
0.767 |
3 |
1 |
0 |
0.000 |
| Average: |
208.8 |
0.9 |
0.725 |
3 |
1 |
0 |
0.000 |
| 13 |
36 |
|
K |
19 |
8 |
18506 |
◊ |
G |
x-1,y,z-1 |
1_454 |
16 |
8 |
18521 |
180.5 |
1.6 |
0.755 |
1 |
0 |
0 |
0.000 |
| 14 |
37 |
|
A |
18 |
10 |
18327 |
◊ |
I |
-x,y-1/2,-z-1 |
2_544 |
19 |
9 |
18792 |
147.9 |
-1.7 |
0.363 |
0 |
0 |
0 |
0.000 |
| 15 |
38 |
|
[FES]I:900 |
4 |
1 |
235 |
f |
I |
x,y,z |
1_555 |
17 |
9 |
18792 |
119.0 |
-15.9 |
0.617 |
1 |
0 |
0 |
0.298 |
39 |
|
[FES]G:900 |
4 |
1 |
236 |
f |
G |
x,y,z |
1_555 |
14 |
8 |
18521 |
117.0 |
-15.9 |
0.617 |
1 |
0 |
0 |
0.298 |
40 |
|
[FES]K:900 |
4 |
1 |
235 |
cf |
K |
x,y,z |
1_555 |
13 |
8 |
18506 |
116.9 |
-16.1 |
0.628 |
2 |
0 |
0 |
0.298 |
41 |
|
[FES]A:900 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
18327 |
112.9 |
-15.5 |
0.637 |
2 |
0 |
0 |
0.298 |
| Average: |
116.4 |
-15.8 |
0.625 |
2 |
0 |
0 |
0.298 |
| 16 |
42 |
|
[FES]E:900 |
4 |
1 |
235 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
18479 |
115.0 |
-15.5 |
0.628 |
2 |
0 |
0 |
0.275 |
43 |
|
[FES]C:900 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
18314 |
113.9 |
-15.5 |
0.632 |
2 |
0 |
0 |
0.275 |
| Average: |
114.5 |
-15.5 |
0.630 |
2 |
0 |
0 |
0.275 |
| 17 |
44 |
|
F |
5 |
1 |
10996 |
◊ |
G |
x,y,z |
1_555 |
16 |
5 |
18521 |
78.1 |
1.6 |
0.783 |
1 |
0 |
0 |
0.000 |
| 18 |
45 |
|
[FE2]G:901 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
13 |
8 |
18521 |
75.8 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.258 |
46 |
|
[FE2]E:901 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
18479 |
71.2 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.258 |
47 |
|
[FE2]K:901 |
1 |
1 |
137 |
f |
K |
x,y,z |
1_555 |
11 |
7 |
18506 |
71.2 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.258 |
48 |
|
[FE2]I:901 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
12 |
7 |
18792 |
70.9 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.258 |
49 |
|
[FE2]A:901 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
18327 |
59.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.258 |
50 |
|
[FE2]C:901 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
18314 |
55.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.258 |
| Average: |
67.3 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.258 |
| 19 |
51 |
|
J |
6 |
1 |
10819 |
◊ |
G |
x-1,y,z-1 |
1_454 |
10 |
4 |
18521 |
69.5 |
0.2 |
0.631 |
1 |
0 |
0 |
0.000 |
| 20 |
52 |
|
L |
9 |
3 |
10956 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
18479 |
58.3 |
1.5 |
0.844 |
0 |
0 |
0 |
0.000 |
| 21 |
53 |
|
F |
6 |
4 |
10996 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
18327 |
43.5 |
0.0 |
0.481 |
0 |
0 |
0 |
0.000 |
54 |
|
K |
3 |
2 |
18506 |
◊ |
J |
x-1,y,z |
1_455 |
7 |
4 |
10819 |
26.5 |
-0.4 |
0.351 |
0 |
0 |
0 |
0.000 |
| Average: |
35.0 |
-0.2 |
0.416 |
0 |
0 |
0 |
0.000 |
| 22 |
55 |
|
L |
4 |
2 |
10956 |
◊ |
A |
x-1,y,z-1 |
1_454 |
4 |
2 |
18327 |
42.9 |
-1.2 |
0.165 |
0 |
0 |
0 |
0.000 |
56 |
|
K |
8 |
4 |
18506 |
◊ |
B |
x-1,y,z-1 |
1_454 |
3 |
2 |
10940 |
33.8 |
-0.8 |
0.310 |
0 |
0 |
0 |
0.000 |
| Average: |
38.4 |
-1.0 |
0.238 |
0 |
0 |
0 |
0.000 |
| 23 |
57 |
|
[DC4]C:1460 |
10 |
1 |
360 |
f |
[FE2]C:901 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.065 |
| 24 |
58 |
|
F |
4 |
3 |
10996 |
◊ |
K |
x,y,z |
1_555 |
5 |
4 |
18506 |
32.2 |
0.9 |
0.809 |
1 |
0 |
0 |
0.000 |
| 25 |
59 |
|
B |
2 |
1 |
10940 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
18521 |
31.3 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
| 26 |
60 |
|
[DC4]A:1460 |
7 |
1 |
360 |
f |
[FE2]A:901 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.044 |
| 27 |
61 |
|
L |
5 |
1 |
10956 |
◊ |
F |
x,y,z-1 |
1_554 |
3 |
1 |
10996 |
24.9 |
-0.4 |
0.451 |
0 |
0 |
0 |
0.000 |
62 |
|
H |
2 |
2 |
11049 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
2 |
11038 |
16.3 |
-0.5 |
0.252 |
0 |
0 |
0 |
0.000 |
63 |
|
J |
2 |
1 |
10819 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
10940 |
15.8 |
-0.5 |
0.324 |
0 |
0 |
0 |
0.000 |
| Average: |
19.0 |
-0.5 |
0.342 |
0 |
0 |
0 |
0.000 |
| 28 |
64 |
|
L |
1 |
1 |
10956 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
10940 |
22.9 |
-0.7 |
0.080 |
0 |
0 |
0 |
0.000 |
65 |
|
J |
1 |
1 |
10819 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
11038 |
22.5 |
-0.7 |
0.080 |
0 |
0 |
0 |
0.000 |
66 |
|
H |
1 |
1 |
11049 |
◊ |
F |
x,y,z-1 |
1_554 |
1 |
1 |
10996 |
21.5 |
-0.7 |
0.095 |
0 |
0 |
0 |
0.000 |
| Average: |
22.3 |
-0.7 |
0.085 |
0 |
0 |
0 |
0.000 |
| 29 |
67 |
|
[FES]E:900 |
3 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18327 |
19.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.024 |
68 |
|
[FES]A:900 |
3 |
1 |
234 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
18314 |
19.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.024 |
69 |
|
[FES]C:900 |
3 |
1 |
235 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
18479 |
18.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
19.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 30 |
70 |
|
K |
2 |
1 |
18506 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
1 |
18521 |
18.8 |
0.4 |
0.820 |
0 |
0 |
0 |
0.000 |
71 |
|
C |
2 |
1 |
18314 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
18327 |
4.6 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
| Average: |
11.7 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
| 31 |
72 |
|
[FES]G:900 |
3 |
1 |
236 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
18792 |
17.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.023 |
73 |
|
[FES]I:900 |
3 |
1 |
235 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
18506 |
17.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.023 |
74 |
|
[FES]K:900 |
3 |
1 |
235 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
18521 |
13.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
15.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| 32 |
75 |
|
E |
1 |
1 |
18479 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
11038 |
17.1 |
0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
| 33 |
76 |
|
L |
3 |
2 |
10956 |
◊ |
G |
x-1,y,z-1 |
1_454 |
2 |
2 |
18521 |
16.9 |
0.5 |
0.812 |
0 |
0 |
0 |
0.000 |
| 34 |
77 |
|
L |
1 |
1 |
10956 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
10996 |
15.7 |
0.4 |
0.879 |
0 |
0 |
0 |
0.000 |
| 35 |
78 |
|
E |
1 |
1 |
18479 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
18327 |
12.2 |
0.7 |
0.925 |
0 |
0 |
0 |
0.000 |
79 |
|
K |
1 |
1 |
18506 |
◊ |
I |
x-1,y,z |
1_455 |
1 |
1 |
18792 |
7.9 |
0.4 |
0.894 |
0 |
0 |
0 |
0.000 |
| Average: |
10.0 |
0.5 |
0.909 |
0 |
0 |
0 |
0.000 |
| 36 |
80 |
|
H |
2 |
1 |
11049 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
10996 |
11.3 |
0.5 |
0.849 |
0 |
0 |
0 |
0.000 |
| 37 |
81 |
|
I |
1 |
1 |
18792 |
x |
I |
x-1,y,z |
1_455 |
1 |
1 |
18792 |
6.4 |
0.1 |
0.818 |
0 |
0 |
0 |
0.000 |
| 38 |
82 |
|
I |
3 |
1 |
18792 |
◊ |
G |
x-1,y,z-1 |
1_454 |
1 |
1 |
18521 |
6.3 |
-0.1 |
0.416 |
0 |
0 |
0 |
0.000 |
| 39 |
83 |
|
J |
1 |
1 |
10819 |
◊ |
K |
x,y,z-1 |
1_554 |
1 |
1 |
18506 |
5.4 |
0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
| 40 |
84 |
|
E |
2 |
1 |
18479 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
10940 |
3.0 |
0.1 |
0.703 |
0 |
0 |
0 |
0.000 |
| 41 |
85 |
|
[FE2]A:901 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
18479 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
86 |
|
[FE2]C:901 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18327 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
87 |
|
[FE2]I:901 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
18521 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|