## |
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 |
85 |
24 |
19148 |
◊ |
C |
x,y,z |
1_555 |
84 |
23 |
19120 |
871.7 |
1.4 |
0.700 |
16 |
15 |
0 |
0.127 |
2 |
|
B |
87 |
23 |
19191 |
◊ |
A |
x,y,z |
1_555 |
83 |
22 |
19000 |
867.0 |
0.4 |
0.624 |
16 |
15 |
0 |
0.127 |
3 |
|
H |
80 |
22 |
19283 |
◊ |
F |
x,y,z |
1_555 |
83 |
25 |
19345 |
854.2 |
2.1 |
0.740 |
20 |
17 |
0 |
0.127 |
Average: |
864.3 |
1.3 |
0.688 |
17 |
16 |
0 |
0.127 |
2 |
4 |
|
G |
75 |
22 |
19212 |
◊ |
E |
x,y,z |
1_555 |
79 |
24 |
19444 |
777.8 |
2.2 |
0.735 |
14 |
15 |
0 |
0.000 |
3 |
5 |
|
E |
55 |
23 |
19444 |
◊ |
C |
x,y,z |
1_555 |
60 |
21 |
19120 |
503.5 |
-2.1 |
0.427 |
6 |
0 |
0 |
0.000 |
6 |
|
F |
65 |
21 |
19345 |
◊ |
A |
x,y,z |
1_555 |
47 |
20 |
19000 |
485.9 |
-3.6 |
0.308 |
5 |
0 |
0 |
0.000 |
7 |
|
G |
43 |
18 |
19212 |
◊ |
A |
x,y,z-1 |
1_554 |
60 |
21 |
19000 |
481.3 |
-0.6 |
0.531 |
5 |
0 |
0 |
0.000 |
8 |
|
H |
56 |
19 |
19283 |
◊ |
C |
x,y,z |
1_555 |
49 |
19 |
19120 |
467.6 |
-3.0 |
0.340 |
5 |
0 |
0 |
0.000 |
Average: |
484.6 |
-2.3 |
0.401 |
5 |
0 |
0 |
0.000 |
4 |
9 |
|
D |
23 |
6 |
19148 |
◊ |
C |
x-1,y-1,z |
1_445 |
30 |
10 |
19120 |
268.7 |
1.4 |
0.705 |
3 |
6 |
0 |
0.000 |
10 |
|
D |
30 |
10 |
19148 |
◊ |
C |
x,y-1,z |
1_545 |
24 |
6 |
19120 |
256.0 |
2.0 |
0.765 |
2 |
6 |
0 |
0.000 |
11 |
|
A |
31 |
10 |
19000 |
◊ |
B |
x,y-1,z |
1_545 |
21 |
5 |
19191 |
237.1 |
0.4 |
0.615 |
2 |
3 |
0 |
0.000 |
12 |
|
A |
19 |
6 |
19000 |
◊ |
B |
x-1,y-1,z |
1_445 |
16 |
5 |
19191 |
163.7 |
1.2 |
0.605 |
1 |
1 |
0 |
0.000 |
Average: |
231.4 |
1.3 |
0.673 |
2 |
4 |
0 |
0.000 |
5 |
13 |
|
E |
26 |
12 |
19444 |
◊ |
A |
x,y,z-1 |
1_554 |
32 |
13 |
19000 |
262.1 |
0.1 |
0.603 |
2 |
1 |
0 |
0.000 |
6 |
14 |
|
E |
27 |
9 |
19444 |
◊ |
C |
x-1,y,z |
1_455 |
26 |
8 |
19120 |
251.6 |
-1.0 |
0.464 |
4 |
0 |
0 |
0.000 |
15 |
|
G |
22 |
8 |
19212 |
◊ |
A |
x-1,y,z-1 |
1_454 |
23 |
8 |
19000 |
224.4 |
-0.8 |
0.451 |
3 |
0 |
0 |
0.000 |
Average: |
238.0 |
-0.9 |
0.457 |
4 |
0 |
0 |
0.000 |
7 |
16 |
|
A |
27 |
10 |
19000 |
◊ |
F |
x-1,y,z |
1_455 |
31 |
10 |
19345 |
235.7 |
-0.6 |
0.464 |
2 |
0 |
0 |
0.000 |
8 |
17 |
|
F |
27 |
10 |
19345 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
19191 |
214.0 |
-0.1 |
0.576 |
3 |
3 |
0 |
0.000 |
18 |
|
H |
25 |
10 |
19283 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
19148 |
199.6 |
0.2 |
0.615 |
2 |
3 |
0 |
0.000 |
Average: |
206.8 |
0.1 |
0.596 |
3 |
3 |
0 |
0.000 |
9 |
19 |
|
G |
22 |
10 |
19212 |
◊ |
C |
x,y,z |
1_555 |
26 |
10 |
19120 |
196.3 |
0.9 |
0.691 |
3 |
1 |
0 |
0.000 |
10 |
20 |
|
B |
20 |
7 |
19191 |
◊ |
E |
x-1,y,z+1 |
1_456 |
23 |
9 |
19444 |
194.0 |
-1.5 |
0.371 |
1 |
0 |
0 |
0.000 |
21 |
|
D |
13 |
6 |
19148 |
◊ |
G |
x-1,y,z |
1_455 |
20 |
9 |
19212 |
153.4 |
-1.2 |
0.340 |
1 |
0 |
0 |
0.000 |
Average: |
173.7 |
-1.3 |
0.355 |
1 |
0 |
0 |
0.000 |
11 |
22 |
|
[GOL]C:504 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
19120 |
151.7 |
-0.7 |
0.484 |
4 |
0 |
0 |
0.016 |
12 |
23 |
|
[GOL]C:503 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
19120 |
144.8 |
-0.1 |
0.541 |
2 |
0 |
0 |
0.007 |
13 |
24 |
|
[GOL]G:502 |
6 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
21 |
13 |
19212 |
143.6 |
-1.9 |
0.273 |
4 |
0 |
0 |
0.019 |
14 |
25 |
|
[GOL]D:503 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
23 |
12 |
19148 |
142.5 |
-1.8 |
0.288 |
4 |
0 |
0 |
0.013 |
15 |
26 |
|
[GOL]E:502 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
21 |
12 |
19444 |
142.5 |
-2.0 |
0.253 |
4 |
0 |
0 |
0.023 |
27 |
|
[GOL]B:503 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
19191 |
140.6 |
-1.1 |
0.398 |
4 |
0 |
0 |
0.023 |
Average: |
141.5 |
-1.6 |
0.325 |
4 |
0 |
0 |
0.023 |
16 |
28 |
|
[GOL]A:502 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
19000 |
142.4 |
-0.6 |
0.466 |
5 |
0 |
0 |
0.020 |
17 |
29 |
|
[GOL]H:504 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
19 |
11 |
19283 |
140.1 |
-0.7 |
0.457 |
5 |
0 |
0 |
0.040 |
18 |
30 |
|
H |
17 |
7 |
19283 |
x |
H |
x-1,y,z |
1_455 |
14 |
5 |
19283 |
140.0 |
-1.5 |
0.261 |
0 |
0 |
0 |
0.000 |
31 |
|
D |
14 |
5 |
19148 |
x |
D |
x-1,y,z |
1_455 |
14 |
4 |
19148 |
137.9 |
-1.6 |
0.250 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
13 |
5 |
19191 |
x |
B |
x-1,y,z |
1_455 |
14 |
5 |
19191 |
132.5 |
-1.3 |
0.304 |
1 |
0 |
0 |
0.000 |
Average: |
136.8 |
-1.5 |
0.272 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
D |
17 |
5 |
19148 |
◊ |
E |
x-1,y-1,z |
1_445 |
11 |
2 |
19444 |
120.6 |
0.8 |
0.702 |
1 |
1 |
0 |
0.000 |
34 |
|
G |
5 |
1 |
19212 |
◊ |
B |
x,y-1,z-1 |
1_544 |
9 |
4 |
19191 |
56.6 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
Average: |
88.6 |
0.3 |
0.605 |
1 |
1 |
0 |
0.000 |
20 |
35 |
|
[GOL]H:503 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
14 |
6 |
19283 |
101.9 |
-0.8 |
0.411 |
1 |
0 |
0 |
0.018 |
21 |
36 |
|
[GOL]C:502 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
19120 |
95.1 |
-0.8 |
0.442 |
0 |
0 |
0 |
0.005 |
22 |
37 |
|
C |
10 |
5 |
19120 |
◊ |
H |
x-1,y,z |
1_455 |
16 |
5 |
19283 |
92.7 |
-1.0 |
0.327 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
[SO4]E:501 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
19444 |
83.0 |
-11.9 |
0.762 |
2 |
0 |
0 |
0.077 |
24 |
39 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
19000 |
81.9 |
-10.6 |
0.839 |
2 |
0 |
0 |
0.080 |
40 |
|
[SO4]D:502 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
19148 |
77.8 |
-11.3 |
0.731 |
3 |
0 |
0 |
0.080 |
Average: |
79.8 |
-10.9 |
0.785 |
3 |
0 |
0 |
0.080 |
25 |
41 |
|
[SO4]H:502 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
19283 |
80.7 |
-11.7 |
0.528 |
2 |
0 |
0 |
0.171 |
26 |
42 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
19191 |
78.4 |
-10.8 |
0.779 |
2 |
0 |
0 |
0.045 |
27 |
43 |
|
[SO4]F:502 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
19345 |
78.1 |
-10.1 |
0.824 |
3 |
0 |
0 |
0.155 |
28 |
44 |
|
[SO4]D:501 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
19148 |
77.0 |
-10.8 |
0.500 |
2 |
0 |
0 |
0.042 |
29 |
45 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
19191 |
75.9 |
-10.6 |
0.502 |
2 |
0 |
0 |
0.044 |
30 |
46 |
|
[SO4]H:501 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
14 |
5 |
19283 |
75.6 |
-10.6 |
0.801 |
2 |
0 |
0 |
0.156 |
31 |
47 |
|
[SO4]C:501 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
19120 |
75.1 |
-10.3 |
0.757 |
2 |
0 |
0 |
0.073 |
32 |
48 |
|
[SO4]G:501 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
13 |
5 |
19212 |
74.9 |
-11.0 |
0.760 |
3 |
0 |
0 |
0.066 |
33 |
49 |
|
[SO4]F:501 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
19345 |
74.9 |
-10.8 |
0.457 |
2 |
0 |
0 |
0.158 |
34 |
50 |
|
[GOL]G:503 |
5 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
19120 |
67.6 |
-0.6 |
0.442 |
1 |
0 |
0 |
0.000 |
35 |
51 |
|
[GOL]G:503 |
6 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
19212 |
62.3 |
0.4 |
0.637 |
2 |
0 |
0 |
0.002 |
36 |
52 |
|
[GOL]H:503 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
19120 |
59.9 |
0.6 |
0.706 |
1 |
0 |
0 |
0.000 |
37 |
53 |
|
[SO4]H:502 |
3 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
19345 |
47.2 |
-7.1 |
0.295 |
0 |
0 |
0 |
0.096 |
38 |
54 |
|
F |
4 |
2 |
19345 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
3 |
19148 |
45.8 |
-0.6 |
0.344 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
[SO4]F:501 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
19283 |
45.7 |
-5.4 |
0.882 |
1 |
0 |
0 |
0.079 |
40 |
56 |
|
[SO4]D:501 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
19120 |
41.8 |
-4.7 |
0.942 |
1 |
0 |
0 |
0.009 |
41 |
57 |
|
[SO4]B:501 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19000 |
36.1 |
-3.8 |
0.940 |
1 |
0 |
0 |
0.008 |
42 |
58 |
|
G |
3 |
1 |
19212 |
x |
G |
x-1,y,z |
1_455 |
3 |
1 |
19212 |
28.9 |
0.5 |
0.626 |
0 |
0 |
0 |
0.000 |
59 |
|
F |
4 |
2 |
19345 |
x |
F |
x-1,y,z |
1_455 |
3 |
2 |
19345 |
13.7 |
0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
60 |
|
C |
3 |
1 |
19120 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
19120 |
6.9 |
-0.2 |
0.357 |
0 |
0 |
0 |
0.000 |
61 |
|
A |
1 |
1 |
19000 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
19000 |
1.0 |
0.1 |
0.746 |
0 |
0 |
0 |
0.000 |
Average: |
12.6 |
0.1 |
0.565 |
0 |
0 |
0 |
0.000 |
43 |
62 |
|
G |
5 |
4 |
19212 |
◊ |
E |
x-1,y-1,z |
1_445 |
4 |
3 |
19444 |
24.3 |
0.9 |
0.833 |
0 |
0 |
0 |
0.000 |
44 |
63 |
|
[GOL]G:503 |
4 |
1 |
221 |
f |
[SO4]G:501 |
x,y,z |
1_555 |
4 |
1 |
185 |
21.5 |
-2.3 |
0.749 |
0 |
0 |
0 |
0.012 |
45 |
64 |
|
G |
1 |
1 |
19212 |
◊ |
E |
x,y-1,z |
1_545 |
2 |
1 |
19444 |
19.0 |
0.3 |
0.654 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
H |
1 |
1 |
19283 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
19191 |
16.3 |
-0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
F |
1 |
1 |
19345 |
◊ |
H |
x,y-1,z |
1_545 |
3 |
1 |
19283 |
9.8 |
0.4 |
0.796 |
0 |
0 |
0 |
0.000 |
|