## |
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 |
173 |
49 |
11181 |
◊ |
E |
x,y,z |
1_555 |
169 |
55 |
11352 |
1600.3 |
-22.9 |
0.029 |
16 |
1 |
0 |
0.576 |
2 |
|
D |
170 |
47 |
11074 |
◊ |
C |
x,y,z |
1_555 |
168 |
51 |
11446 |
1579.8 |
-22.7 |
0.036 |
13 |
1 |
0 |
0.576 |
3 |
|
B |
165 |
47 |
11188 |
◊ |
A |
x,y,z |
1_555 |
169 |
51 |
11354 |
1553.1 |
-23.9 |
0.027 |
16 |
1 |
0 |
0.576 |
4 |
|
H |
165 |
46 |
11099 |
◊ |
G |
x,y,z |
1_555 |
167 |
50 |
11279 |
1518.7 |
-21.8 |
0.065 |
14 |
1 |
0 |
0.576 |
Average: |
1563.0 |
-22.8 |
0.039 |
15 |
1 |
0 |
0.576 |
2 |
5 |
|
B |
60 |
15 |
11188 |
◊ |
H |
x-1,y,z |
1_455 |
54 |
19 |
11099 |
512.0 |
-5.4 |
0.446 |
6 |
0 |
0 |
0.000 |
6 |
|
F |
47 |
14 |
11181 |
◊ |
D |
x,y,z-1 |
1_554 |
46 |
16 |
11074 |
469.7 |
-4.8 |
0.388 |
6 |
0 |
0 |
0.000 |
Average: |
490.8 |
-5.1 |
0.417 |
6 |
0 |
0 |
0.000 |
3 |
7 |
|
A |
46 |
13 |
11354 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
50 |
13 |
11352 |
426.5 |
-1.4 |
0.548 |
7 |
7 |
0 |
0.000 |
4 |
8 |
|
[LTX]E:301 |
38 |
1 |
1006 |
f |
E |
x,y,z |
1_555 |
54 |
16 |
11352 |
425.8 |
-1.5 |
0.423 |
4 |
0 |
0 |
0.112 |
9 |
|
[LTX]A:301 |
35 |
1 |
996 |
f |
A |
x,y,z |
1_555 |
52 |
16 |
11354 |
420.4 |
-2.1 |
0.356 |
4 |
0 |
0 |
0.112 |
10 |
|
[LTX]C:301 |
35 |
1 |
972 |
f |
C |
x,y,z |
1_555 |
50 |
17 |
11446 |
408.4 |
-3.1 |
0.369 |
5 |
0 |
0 |
0.112 |
11 |
|
[LTX]G:302 |
34 |
1 |
980 |
f |
G |
x,y,z |
1_555 |
48 |
17 |
11279 |
404.5 |
-1.3 |
0.546 |
6 |
0 |
0 |
0.112 |
Average: |
414.8 |
-2.0 |
0.423 |
5 |
0 |
0 |
0.112 |
5 |
12 |
|
B |
48 |
15 |
11188 |
◊ |
G |
x,y,z |
1_555 |
48 |
15 |
11279 |
411.4 |
-1.0 |
0.658 |
4 |
0 |
0 |
0.000 |
13 |
|
F |
38 |
12 |
11181 |
◊ |
C |
x,y,z |
1_555 |
49 |
14 |
11446 |
375.5 |
0.2 |
0.751 |
4 |
0 |
0 |
0.000 |
Average: |
393.4 |
-0.4 |
0.705 |
4 |
0 |
0 |
0.000 |
6 |
14 |
|
G |
40 |
12 |
11279 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
11 |
11188 |
376.1 |
-0.2 |
0.730 |
9 |
3 |
0 |
0.000 |
15 |
|
C |
36 |
11 |
11446 |
◊ |
F |
x-1,y,z |
1_455 |
38 |
11 |
11181 |
367.9 |
-1.2 |
0.624 |
7 |
5 |
0 |
0.000 |
Average: |
372.0 |
-0.7 |
0.677 |
8 |
4 |
0 |
0.000 |
7 |
16 |
|
B |
39 |
17 |
11188 |
◊ |
C |
x,y,z |
1_555 |
34 |
13 |
11446 |
324.5 |
-0.1 |
0.681 |
4 |
0 |
0 |
0.000 |
17 |
|
F |
40 |
18 |
11181 |
◊ |
G |
x,y,z |
1_555 |
38 |
12 |
11279 |
321.4 |
-0.0 |
0.745 |
4 |
0 |
0 |
0.000 |
Average: |
322.9 |
-0.1 |
0.713 |
4 |
0 |
0 |
0.000 |
8 |
18 |
|
E |
35 |
10 |
11352 |
◊ |
D |
x,y,z-1 |
1_554 |
26 |
9 |
11074 |
303.2 |
0.3 |
0.732 |
4 |
0 |
0 |
0.000 |
19 |
|
A |
31 |
8 |
11354 |
◊ |
H |
x-1,y,z |
1_455 |
26 |
9 |
11099 |
292.8 |
0.8 |
0.745 |
3 |
0 |
0 |
0.000 |
Average: |
298.0 |
0.6 |
0.738 |
4 |
0 |
0 |
0.000 |
9 |
20 |
|
[LTX]C:301 |
23 |
1 |
972 |
◊ |
D |
x,y,z |
1_555 |
39 |
11 |
11074 |
268.7 |
-3.9 |
0.302 |
0 |
0 |
0 |
0.106 |
21 |
|
[LTX]A:301 |
24 |
1 |
996 |
◊ |
B |
x,y,z |
1_555 |
35 |
10 |
11188 |
260.2 |
-4.8 |
0.242 |
0 |
0 |
0 |
0.106 |
22 |
|
[LTX]E:301 |
23 |
1 |
1006 |
◊ |
F |
x,y,z |
1_555 |
36 |
11 |
11181 |
259.9 |
-4.4 |
0.266 |
0 |
0 |
0 |
0.106 |
23 |
|
[LTX]G:302 |
22 |
1 |
980 |
◊ |
H |
x,y,z |
1_555 |
38 |
10 |
11099 |
256.6 |
-5.2 |
0.257 |
0 |
0 |
0 |
0.106 |
Average: |
261.3 |
-4.6 |
0.267 |
0 |
0 |
0 |
0.106 |
10 |
24 |
|
H |
24 |
9 |
11099 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
23 |
9 |
11074 |
226.2 |
1.1 |
0.848 |
4 |
0 |
0 |
0.000 |
11 |
25 |
|
[MES]F:501 |
12 |
1 |
335 |
◊ |
F |
x,y,z |
1_555 |
25 |
8 |
11181 |
181.0 |
3.9 |
0.145 |
0 |
0 |
0 |
0.000 |
26 |
|
[MES]H:502 |
12 |
1 |
338 |
◊ |
H |
x,y,z |
1_555 |
26 |
8 |
11099 |
178.5 |
4.3 |
0.157 |
0 |
0 |
0 |
0.000 |
27 |
|
[MES]B:502 |
12 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
11188 |
154.1 |
3.1 |
0.063 |
0 |
0 |
0 |
0.000 |
Average: |
171.2 |
3.8 |
0.122 |
0 |
0 |
0 |
0.000 |
12 |
28 |
|
F |
18 |
8 |
11181 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
11074 |
179.6 |
-0.7 |
0.628 |
1 |
0 |
0 |
0.000 |
29 |
|
H |
18 |
4 |
11099 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
11188 |
174.1 |
-1.3 |
0.553 |
1 |
0 |
0 |
0.000 |
Average: |
176.8 |
-1.0 |
0.591 |
1 |
0 |
0 |
0.000 |
13 |
30 |
|
[MES]D:502 |
11 |
1 |
336 |
◊ |
D |
x,y,z |
1_555 |
23 |
7 |
11074 |
166.4 |
3.4 |
0.131 |
0 |
0 |
0 |
0.000 |
14 |
31 |
|
B |
16 |
7 |
11188 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
18 |
7 |
11352 |
161.5 |
-1.7 |
0.279 |
1 |
0 |
0 |
0.000 |
15 |
32 |
|
D |
22 |
9 |
11074 |
◊ |
E |
x-1,y,z+1 |
1_456 |
20 |
6 |
11352 |
161.3 |
0.4 |
0.733 |
2 |
0 |
0 |
0.000 |
33 |
|
A |
13 |
5 |
11354 |
◊ |
H |
x-1,y,z+1 |
1_456 |
14 |
6 |
11099 |
114.1 |
1.9 |
0.881 |
2 |
1 |
0 |
0.000 |
Average: |
137.7 |
1.1 |
0.807 |
2 |
1 |
0 |
0.000 |
16 |
34 |
|
A |
16 |
7 |
11354 |
◊ |
E |
-x+1,y-1/2,-z-1 |
2_644 |
15 |
7 |
11352 |
138.5 |
1.9 |
0.845 |
3 |
0 |
0 |
0.000 |
17 |
35 |
|
A |
13 |
6 |
11354 |
◊ |
G |
x-1,y,z |
1_455 |
11 |
4 |
11279 |
110.5 |
-1.0 |
0.432 |
1 |
1 |
0 |
0.000 |
36 |
|
E |
10 |
6 |
11352 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
4 |
11446 |
107.9 |
-0.5 |
0.508 |
1 |
1 |
0 |
0.000 |
Average: |
109.2 |
-0.7 |
0.470 |
1 |
1 |
0 |
0.000 |
18 |
37 |
|
[SO4]D:501 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
11074 |
95.3 |
-12.1 |
0.950 |
3 |
0 |
0 |
0.270 |
19 |
38 |
|
[SO4]B:501 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
11188 |
91.9 |
-13.3 |
0.795 |
1 |
0 |
0 |
0.218 |
20 |
39 |
|
[SO4]H:501 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
11099 |
91.2 |
-13.2 |
0.767 |
2 |
0 |
0 |
0.288 |
21 |
40 |
|
B |
9 |
4 |
11188 |
◊ |
[LTX]G:302 |
x-1,y,z |
1_455 |
14 |
1 |
980 |
83.9 |
-0.2 |
0.598 |
1 |
0 |
0 |
0.000 |
41 |
|
F |
7 |
3 |
11181 |
◊ |
[LTX]C:301 |
x,y,z-1 |
1_554 |
9 |
1 |
972 |
77.8 |
-0.7 |
0.477 |
0 |
0 |
0 |
0.000 |
Average: |
80.8 |
-0.5 |
0.538 |
1 |
0 |
0 |
0.000 |
22 |
42 |
|
A |
12 |
6 |
11354 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
11074 |
81.9 |
1.3 |
0.830 |
1 |
1 |
0 |
0.000 |
23 |
43 |
|
G |
12 |
6 |
11279 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
11446 |
80.2 |
2.3 |
0.767 |
0 |
1 |
0 |
0.000 |
24 |
44 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
11181 |
77.1 |
-9.4 |
0.889 |
2 |
0 |
0 |
0.187 |
25 |
45 |
|
[SO4]G:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11188 |
75.1 |
-9.9 |
0.794 |
2 |
0 |
0 |
0.171 |
26 |
46 |
|
A |
7 |
4 |
11354 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
8 |
4 |
11181 |
73.0 |
-1.4 |
0.272 |
0 |
0 |
0 |
0.000 |
27 |
47 |
|
[LTX]A:301 |
13 |
1 |
996 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
11099 |
50.4 |
1.0 |
0.708 |
0 |
0 |
0 |
0.000 |
48 |
|
[LTX]E:301 |
2 |
1 |
1006 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
11074 |
10.4 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
Average: |
30.4 |
0.6 |
0.658 |
0 |
0 |
0 |
0.000 |
28 |
49 |
|
[SO4]C:302 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
11446 |
48.4 |
-4.9 |
0.954 |
2 |
0 |
0 |
0.000 |
29 |
50 |
|
[SO4]G:301 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
11279 |
47.4 |
-5.3 |
0.940 |
2 |
0 |
0 |
0.000 |
30 |
51 |
|
[SO4]E:302 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
11352 |
47.4 |
-6.1 |
0.483 |
0 |
0 |
0 |
0.111 |
31 |
52 |
|
G |
6 |
3 |
11279 |
◊ |
E |
-x+1,y-1/2,-z-1 |
2_644 |
5 |
3 |
11352 |
43.2 |
0.9 |
0.819 |
1 |
1 |
0 |
0.000 |
32 |
53 |
|
[SO4]E:302 |
5 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
11181 |
39.8 |
-4.2 |
0.898 |
1 |
0 |
0 |
0.084 |
33 |
54 |
|
A |
2 |
1 |
11354 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
11446 |
34.7 |
0.7 |
0.868 |
1 |
2 |
0 |
0.000 |
34 |
55 |
|
H |
3 |
1 |
11099 |
◊ |
[LTX]C:301 |
x,y,z-1 |
1_554 |
3 |
1 |
972 |
28.2 |
-0.3 |
0.397 |
0 |
0 |
0 |
0.000 |
35 |
56 |
|
D |
3 |
1 |
11074 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11188 |
23.1 |
1.0 |
0.858 |
1 |
0 |
0 |
0.000 |
36 |
57 |
|
D |
1 |
1 |
11074 |
◊ |
[LTX]G:302 |
x-1,y,z |
1_455 |
3 |
1 |
980 |
17.0 |
-0.0 |
0.295 |
0 |
0 |
0 |
0.000 |
37 |
58 |
|
H |
3 |
1 |
11099 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11354 |
16.8 |
-0.1 |
0.507 |
0 |
0 |
0 |
0.000 |
59 |
|
D |
1 |
1 |
11074 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11352 |
8.5 |
-0.2 |
0.340 |
0 |
0 |
0 |
0.000 |
Average: |
12.6 |
-0.2 |
0.423 |
0 |
0 |
0 |
0.000 |
38 |
60 |
|
H |
3 |
1 |
11099 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
11446 |
16.0 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
61 |
|
D |
1 |
1 |
11074 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
11279 |
4.3 |
0.2 |
0.801 |
0 |
0 |
0 |
0.000 |
Average: |
10.1 |
0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
[SO4]H:501 |
1 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
11279 |
15.6 |
-2.2 |
0.364 |
0 |
0 |
0 |
0.044 |
40 |
63 |
|
[SO4]B:501 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11354 |
14.1 |
-1.8 |
0.390 |
0 |
0 |
0 |
0.029 |
41 |
64 |
|
[SO4]D:501 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11446 |
14.1 |
-1.9 |
0.421 |
0 |
0 |
0 |
0.039 |
42 |
65 |
|
G |
4 |
1 |
11279 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
11446 |
11.1 |
0.4 |
0.748 |
0 |
0 |
0 |
0.000 |
43 |
66 |
|
[SO4]B:501 |
2 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
11279 |
10.4 |
-1.0 |
0.906 |
0 |
0 |
0 |
0.000 |
44 |
67 |
|
[MES]H:502 |
3 |
1 |
338 |
f |
G |
x,y,z |
1_555 |
2 |
2 |
11279 |
10.3 |
0.4 |
0.112 |
0 |
0 |
0 |
0.000 |
68 |
|
[MES]B:502 |
1 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
11354 |
2.3 |
-0.0 |
0.297 |
0 |
0 |
0 |
0.000 |
Average: |
6.3 |
0.2 |
0.205 |
0 |
0 |
0 |
0.000 |
45 |
69 |
|
[MES]F:501 |
1 |
1 |
335 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
11352 |
7.6 |
-0.0 |
0.257 |
0 |
0 |
0 |
0.000 |
46 |
70 |
|
[MES]D:502 |
3 |
1 |
336 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
11446 |
6.9 |
0.0 |
0.069 |
0 |
0 |
0 |
0.000 |
47 |
71 |
|
A |
1 |
1 |
11354 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
3 |
1 |
11352 |
4.7 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
|