## |
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 |
529 |
128 |
22911 |
◊ |
A |
x,y,z |
1_555 |
526 |
128 |
22932 |
4725.0 |
-33.3 |
0.361 |
87 |
19 |
0 |
0.411 |
2 |
2 |
|
F |
244 |
62 |
13987 |
◊ |
E |
x,y,z |
1_555 |
267 |
72 |
18240 |
2425.2 |
-22.0 |
0.113 |
47 |
26 |
0 |
0.620 |
3 |
|
C |
241 |
62 |
14050 |
◊ |
B |
x,y,z |
1_555 |
264 |
72 |
18110 |
2396.7 |
-24.6 |
0.071 |
41 |
17 |
0 |
0.620 |
Average: |
2411.0 |
-23.3 |
0.092 |
44 |
22 |
0 |
0.620 |
3 |
4 |
|
F |
232 |
57 |
13987 |
◊ |
D |
x,y,z |
1_555 |
273 |
61 |
22911 |
2282.1 |
-20.0 |
0.150 |
41 |
17 |
0 |
0.470 |
5 |
|
C |
230 |
57 |
14050 |
◊ |
A |
x,y,z |
1_555 |
277 |
61 |
22932 |
2277.4 |
-21.1 |
0.128 |
39 |
13 |
0 |
0.470 |
Average: |
2279.7 |
-20.6 |
0.139 |
40 |
15 |
0 |
0.470 |
4 |
6 |
|
E |
201 |
54 |
18240 |
◊ |
A |
x,y,z |
1_555 |
245 |
76 |
22932 |
2103.9 |
-30.3 |
0.011 |
20 |
3 |
0 |
0.392 |
7 |
|
B |
201 |
55 |
18110 |
◊ |
D |
x,y,z |
1_555 |
250 |
75 |
22911 |
2093.7 |
-29.5 |
0.014 |
19 |
3 |
0 |
0.392 |
Average: |
2098.8 |
-29.9 |
0.013 |
20 |
3 |
0 |
0.392 |
5 |
8 |
|
E |
196 |
58 |
18240 |
◊ |
B |
x,y,z |
1_555 |
194 |
58 |
18110 |
1979.2 |
-18.3 |
0.167 |
18 |
0 |
0 |
0.390 |
6 |
9 |
|
E |
162 |
45 |
18240 |
◊ |
D |
x,y,z |
1_555 |
129 |
33 |
22911 |
1242.3 |
-12.9 |
0.221 |
12 |
6 |
0 |
0.239 |
10 |
|
B |
159 |
45 |
18110 |
◊ |
A |
x,y,z |
1_555 |
127 |
33 |
22932 |
1228.0 |
-12.6 |
0.226 |
11 |
6 |
0 |
0.239 |
Average: |
1235.1 |
-12.8 |
0.224 |
12 |
6 |
0 |
0.239 |
7 |
11 |
|
F |
61 |
20 |
13987 |
◊ |
A |
x,y,z |
1_555 |
70 |
19 |
22932 |
539.8 |
-0.8 |
0.627 |
7 |
5 |
0 |
0.032 |
12 |
|
C |
62 |
19 |
14050 |
◊ |
D |
x,y,z |
1_555 |
65 |
18 |
22911 |
516.8 |
-1.3 |
0.593 |
7 |
0 |
0 |
0.032 |
Average: |
528.3 |
-1.0 |
0.610 |
7 |
3 |
0 |
0.032 |
8 |
13 |
|
[F43]A:554 |
39 |
1 |
1022 |
◊ |
A |
x,y,z |
1_555 |
41 |
16 |
22932 |
311.4 |
-3.7 |
0.278 |
4 |
0 |
0 |
0.061 |
14 |
|
[F43]D:552 |
37 |
1 |
1018 |
◊ |
D |
x,y,z |
1_555 |
41 |
16 |
22911 |
311.2 |
-3.8 |
0.266 |
4 |
0 |
0 |
0.061 |
Average: |
311.3 |
-3.7 |
0.272 |
4 |
0 |
0 |
0.061 |
9 |
15 |
|
[F43]D:552 |
36 |
1 |
1018 |
f |
A |
x,y,z |
1_555 |
46 |
16 |
22932 |
308.6 |
-4.2 |
0.345 |
7 |
0 |
0 |
0.095 |
16 |
|
[F43]A:554 |
36 |
1 |
1022 |
f |
D |
x,y,z |
1_555 |
47 |
16 |
22911 |
308.4 |
-4.2 |
0.355 |
7 |
0 |
0 |
0.095 |
Average: |
308.5 |
-4.2 |
0.350 |
7 |
0 |
0 |
0.095 |
10 |
17 |
|
F |
35 |
9 |
13987 |
◊ |
C |
x,y,z-1 |
1_554 |
39 |
11 |
14050 |
299.6 |
-2.2 |
0.404 |
1 |
5 |
0 |
0.000 |
11 |
18 |
|
A |
29 |
7 |
22932 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
23 |
9 |
22911 |
240.6 |
-0.9 |
0.573 |
4 |
2 |
0 |
0.000 |
12 |
19 |
|
[F43]A:554 |
19 |
1 |
1022 |
◊ |
F |
x,y,z |
1_555 |
28 |
11 |
13987 |
203.3 |
0.6 |
0.754 |
6 |
0 |
0 |
0.025 |
20 |
|
[F43]D:552 |
19 |
1 |
1018 |
◊ |
C |
x,y,z |
1_555 |
29 |
13 |
14050 |
203.0 |
0.5 |
0.752 |
6 |
0 |
0 |
0.025 |
Average: |
203.2 |
0.5 |
0.753 |
6 |
0 |
0 |
0.025 |
13 |
21 |
|
B |
21 |
7 |
18110 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
8 |
22932 |
162.0 |
-0.6 |
0.513 |
2 |
0 |
0 |
0.000 |
14 |
22 |
|
A |
14 |
6 |
22932 |
◊ |
E |
-x,y-1/2,-z-1 |
2_544 |
14 |
5 |
18240 |
138.4 |
0.5 |
0.714 |
2 |
0 |
0 |
0.000 |
15 |
23 |
|
F |
13 |
3 |
13987 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
18110 |
124.9 |
-4.6 |
0.020 |
0 |
0 |
0 |
0.049 |
24 |
|
C |
13 |
3 |
14050 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
18240 |
122.4 |
-4.5 |
0.021 |
0 |
0 |
0 |
0.049 |
Average: |
123.6 |
-4.5 |
0.021 |
0 |
0 |
0 |
0.049 |
16 |
25 |
|
A |
15 |
5 |
22932 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
8 |
3 |
18110 |
123.9 |
3.4 |
0.928 |
5 |
4 |
0 |
0.000 |
17 |
26 |
|
D |
14 |
6 |
22911 |
◊ |
F |
-x+1,y-1/2,-z-1 |
2_644 |
13 |
5 |
13987 |
122.6 |
-1.5 |
0.340 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[F43]A:554 |
15 |
1 |
1022 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
18240 |
104.1 |
-0.1 |
0.503 |
2 |
0 |
0 |
0.013 |
28 |
|
[F43]D:552 |
15 |
1 |
1018 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
18110 |
103.8 |
-0.1 |
0.518 |
2 |
0 |
0 |
0.013 |
Average: |
103.9 |
-0.1 |
0.510 |
2 |
0 |
0 |
0.013 |
19 |
29 |
|
B |
10 |
3 |
18110 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
4 |
22911 |
94.8 |
0.6 |
0.759 |
1 |
1 |
0 |
0.000 |
20 |
30 |
|
[K]A:1550 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
22932 |
79.3 |
-53.4 |
0.000 |
0 |
0 |
0 |
0.370 |
31 |
|
[K]A:1550 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
22911 |
78.8 |
-53.5 |
0.000 |
0 |
0 |
0 |
0.370 |
Average: |
79.0 |
-53.5 |
0.000 |
0 |
0 |
0 |
0.370 |
21 |
32 |
|
D |
6 |
2 |
22911 |
x |
D |
-x+1,y-1/2,-z-1 |
2_644 |
9 |
3 |
22911 |
73.4 |
1.5 |
0.845 |
2 |
3 |
0 |
0.000 |
22 |
33 |
|
E |
10 |
5 |
18240 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
22932 |
67.4 |
-1.6 |
0.246 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[NA]A:564 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
22932 |
63.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.125 |
35 |
|
[NA]D:558 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
22911 |
63.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
63.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.125 |
24 |
36 |
|
E |
11 |
5 |
18240 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
4 |
22911 |
61.2 |
1.1 |
0.830 |
1 |
2 |
0 |
0.000 |
25 |
37 |
|
[CL]E:1444 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
18240 |
59.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.226 |
38 |
|
[CL]B:1444 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
18110 |
59.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
59.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.226 |
26 |
39 |
|
[MG]E:1500 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
7 |
18240 |
51.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.102 |
27 |
40 |
|
[MG]D:557 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
22911 |
49.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.090 |
41 |
|
[MG]A:563 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
22932 |
48.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
49.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.090 |
28 |
42 |
|
[CL]A:1551 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
22932 |
46.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.076 |
29 |
43 |
|
[MG]C:250 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
14050 |
46.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.100 |
44 |
|
[MG]F:250 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
13987 |
46.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
46.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.100 |
30 |
45 |
|
[NA]A:1502 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
22911 |
46.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.072 |
31 |
46 |
|
[NA]A:1502 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
22932 |
45.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.028 |
32 |
47 |
|
[CL]A:1551 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
22911 |
43.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.030 |
33 |
48 |
|
[MG]E:445 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
18240 |
41.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.070 |
34 |
49 |
|
[MG]B:445 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18110 |
40.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.066 |
35 |
50 |
|
C |
5 |
2 |
14050 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
3 |
18110 |
37.1 |
1.1 |
0.847 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
[MG]D:551 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
22911 |
35.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.049 |
52 |
|
[MG]A:553 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
22932 |
34.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
34.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.049 |
37 |
53 |
|
F |
3 |
1 |
13987 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
4 |
2 |
22911 |
34.0 |
0.8 |
0.846 |
0 |
0 |
0 |
0.000 |
38 |
54 |
|
B |
4 |
1 |
18110 |
f |
[MG]A:562 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
32.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.052 |
39 |
55 |
|
[MG]A:562 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
22911 |
31.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
[CL]E:1444 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
13987 |
29.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.047 |
57 |
|
[CL]B:1444 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14050 |
29.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
29.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.047 |
41 |
58 |
|
A |
4 |
2 |
22932 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
6 |
3 |
22911 |
28.5 |
0.6 |
0.803 |
0 |
0 |
0 |
0.000 |
42 |
59 |
|
[MG]D:1500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
22911 |
28.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.035 |
43 |
60 |
|
[MG]B:444 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
18110 |
27.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.043 |
44 |
61 |
|
[MG]E:444 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
18240 |
24.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.039 |
45 |
62 |
|
[MG]A:1501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
22932 |
24.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.034 |
46 |
63 |
|
[NA]A:564 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
22911 |
24.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.030 |
64 |
|
[NA]D:558 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
22932 |
24.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
24.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.030 |
47 |
65 |
|
E |
4 |
2 |
18240 |
◊ |
[MG]E:444 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
98 |
22.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
66 |
|
E |
3 |
1 |
18240 |
x |
E |
-x,y-1/2,-z-1 |
2_544 |
4 |
2 |
18240 |
21.4 |
-0.3 |
0.475 |
0 |
0 |
0 |
0.000 |
49 |
67 |
|
F |
4 |
1 |
13987 |
◊ |
[MG]C:250 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
20.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[MG]F:250 |
1 |
1 |
98 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
14050 |
19.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
19.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
69 |
|
[MG]C:251 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
14050 |
19.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[MG]A:1501 |
1 |
1 |
98 |
◊ |
F |
-x+1,y-1/2,-z-1 |
2_644 |
2 |
2 |
13987 |
9.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
14.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
71 |
|
[MG]A:562 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
22932 |
19.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
72 |
|
[MG]E:446 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
22932 |
18.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.028 |
73 |
|
[MG]A:1500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
22911 |
17.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
17.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.028 |
53 |
74 |
|
F |
1 |
1 |
13987 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
18110 |
17.5 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
54 |
75 |
|
A |
2 |
1 |
22932 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
2 |
2 |
14050 |
17.0 |
0.5 |
0.823 |
0 |
0 |
0 |
0.000 |
55 |
76 |
|
[MG]A:551 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
22932 |
16.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
56 |
77 |
|
[MG]A:1500 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
18110 |
15.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
78 |
|
[MG]E:446 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
18240 |
15.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
15.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
57 |
79 |
|
[MG]A:551 |
1 |
1 |
98 |
◊ |
F |
-x+1,y-1/2,-z-1 |
2_644 |
2 |
1 |
13987 |
15.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
80 |
|
A |
3 |
1 |
22932 |
◊ |
[MG]D:1500 |
-x+1,y-1/2,-z-1 |
2_644 |
1 |
1 |
98 |
13.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
81 |
|
A |
3 |
1 |
22932 |
◊ |
[MG]B:444 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
12.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
82 |
|
[MG]A:551 |
1 |
1 |
98 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
3 |
1 |
22911 |
12.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
|
[MG]A:1501 |
1 |
1 |
98 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
3 |
1 |
22911 |
9.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
11.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
84 |
|
[MG]A:551 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
22911 |
12.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.018 |
62 |
85 |
|
E |
2 |
1 |
18240 |
◊ |
[MG]D:551 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
10.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
86 |
|
[MG]C:251 |
1 |
1 |
98 |
f |
B |
-x,y-1/2,-z |
2_545 |
2 |
2 |
18110 |
8.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.012 |
64 |
87 |
|
[MG]E:445 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
14050 |
5.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
|