## |
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 |
86 |
26 |
8375 |
◊ |
C |
x,y,z |
1_555 |
80 |
22 |
7505 |
794.8 |
-10.9 |
0.326 |
7 |
0 |
0 |
0.260 |
2 |
|
E |
83 |
26 |
8528 |
◊ |
A |
x,y,z |
1_555 |
78 |
21 |
7390 |
793.5 |
-11.8 |
0.309 |
7 |
0 |
0 |
0.260 |
3 |
|
D |
86 |
26 |
8400 |
◊ |
B |
x,y,z |
1_555 |
80 |
21 |
7588 |
785.0 |
-10.8 |
0.333 |
8 |
0 |
0 |
0.260 |
Average: |
791.1 |
-11.2 |
0.323 |
7 |
0 |
0 |
0.260 |
2 |
4 |
|
C |
79 |
25 |
7505 |
◊ |
B |
x,y,z |
1_555 |
84 |
27 |
7588 |
720.9 |
-5.6 |
0.479 |
5 |
3 |
0 |
0.159 |
5 |
|
C |
82 |
25 |
7505 |
◊ |
A |
x,y,z |
1_555 |
78 |
25 |
7390 |
698.8 |
-6.8 |
0.375 |
6 |
3 |
0 |
0.159 |
6 |
|
B |
74 |
21 |
7588 |
◊ |
A |
x,y,z |
1_555 |
77 |
26 |
7390 |
681.2 |
-7.2 |
0.348 |
5 |
0 |
0 |
0.159 |
Average: |
700.3 |
-6.6 |
0.400 |
5 |
2 |
0 |
0.159 |
3 |
7 |
|
F |
42 |
13 |
8375 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
48 |
21 |
8400 |
404.6 |
-3.0 |
0.741 |
3 |
0 |
0 |
0.285 |
8 |
|
F |
48 |
22 |
8375 |
◊ |
E |
x,y-1,z |
1_545 |
40 |
14 |
8528 |
381.0 |
-3.7 |
0.614 |
2 |
0 |
0 |
0.285 |
9 |
|
E |
48 |
22 |
8528 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
41 |
15 |
8400 |
378.8 |
-3.3 |
0.663 |
2 |
0 |
0 |
0.285 |
Average: |
388.1 |
-3.3 |
0.672 |
2 |
0 |
0 |
0.285 |
4 |
10 |
|
E |
23 |
7 |
8528 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
23 |
7 |
8528 |
250.4 |
-9.1 |
0.042 |
0 |
0 |
0 |
0.048 |
11 |
|
F |
20 |
7 |
8375 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
20 |
7 |
8400 |
225.9 |
-8.4 |
0.037 |
0 |
0 |
0 |
0.048 |
Average: |
238.2 |
-8.8 |
0.040 |
0 |
0 |
0 |
0.048 |
5 |
12 |
|
F |
26 |
8 |
8375 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
7390 |
204.9 |
0.5 |
0.852 |
1 |
0 |
0 |
0.000 |
13 |
|
D |
24 |
8 |
8400 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
7505 |
198.3 |
0.6 |
0.840 |
0 |
0 |
0 |
0.000 |
14 |
|
E |
23 |
8 |
8528 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
7588 |
171.6 |
0.2 |
0.793 |
1 |
0 |
0 |
0.000 |
Average: |
191.6 |
0.4 |
0.828 |
1 |
0 |
0 |
0.000 |
6 |
15 |
|
[NAG]F:501 |
10 |
1 |
365 |
cf |
F |
x,y,z |
1_555 |
10 |
4 |
8375 |
94.3 |
3.3 |
0.429 |
0 |
0 |
0 |
0.000 |
16 |
|
[NAG]D:201 |
7 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
8 |
2 |
8400 |
86.0 |
2.9 |
0.559 |
0 |
0 |
0 |
0.000 |
Average: |
90.2 |
3.1 |
0.494 |
0 |
0 |
0 |
0.000 |
7 |
17 |
|
[SO4]A:605 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
7588 |
82.9 |
-10.4 |
0.908 |
1 |
0 |
0 |
0.197 |
8 |
18 |
|
D |
11 |
4 |
8400 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
7 |
3 |
7588 |
78.4 |
-1.3 |
0.275 |
0 |
0 |
0 |
0.000 |
19 |
|
C |
8 |
3 |
7505 |
◊ |
E |
-x+1,y-1,-z+1 |
2_646 |
10 |
4 |
8528 |
76.4 |
-1.3 |
0.305 |
0 |
0 |
0 |
0.000 |
20 |
|
F |
9 |
3 |
8375 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
3 |
7390 |
74.6 |
-1.3 |
0.330 |
0 |
0 |
0 |
0.000 |
Average: |
76.5 |
-1.3 |
0.303 |
0 |
0 |
0 |
0.000 |
9 |
21 |
|
[SO4]B:303 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
7505 |
77.0 |
-10.1 |
0.848 |
3 |
0 |
0 |
0.177 |
10 |
22 |
|
F |
11 |
4 |
8375 |
x |
E |
-x+1,y-1,-z+1 |
2_646 |
11 |
4 |
8528 |
76.5 |
-0.8 |
0.623 |
0 |
0 |
0 |
0.000 |
23 |
|
D |
11 |
4 |
8400 |
x |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
10 |
3 |
8400 |
74.4 |
-1.0 |
0.583 |
0 |
0 |
0 |
0.000 |
24 |
|
F |
8 |
3 |
8375 |
x |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
3 |
8528 |
56.8 |
-0.9 |
0.568 |
0 |
0 |
0 |
0.000 |
Average: |
69.3 |
-0.9 |
0.591 |
0 |
0 |
0 |
0.000 |
11 |
25 |
|
[SO4]C:302 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
7505 |
73.7 |
-10.7 |
0.630 |
1 |
0 |
0 |
0.174 |
12 |
26 |
|
[SO4]A:604 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
7390 |
71.8 |
-9.1 |
0.858 |
2 |
0 |
0 |
0.163 |
13 |
27 |
|
[SO4]D:204 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
7505 |
66.2 |
-8.1 |
0.849 |
1 |
0 |
0 |
0.133 |
14 |
28 |
|
[CL]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7390 |
64.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.135 |
15 |
29 |
|
[NAG]E:201 |
8 |
1 |
364 |
cf |
E |
x,y,z |
1_555 |
5 |
2 |
8528 |
61.5 |
1.9 |
0.348 |
0 |
0 |
0 |
0.000 |
16 |
30 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
7505 |
60.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.139 |
31 |
|
[CL]E:202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7390 |
60.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.139 |
32 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
7588 |
55.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.139 |
Average: |
58.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.139 |
17 |
33 |
|
[GOL]A:601 |
4 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
7588 |
60.9 |
-0.5 |
0.528 |
0 |
0 |
0 |
0.003 |
18 |
34 |
|
[SO4]B:303 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
7588 |
60.9 |
-8.2 |
0.795 |
1 |
0 |
0 |
0.050 |
19 |
35 |
|
[GOL]A:601 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
7505 |
59.4 |
0.0 |
0.611 |
2 |
0 |
0 |
0.014 |
20 |
36 |
|
[GOL]A:601 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
7390 |
59.1 |
0.2 |
0.632 |
2 |
0 |
0 |
0.004 |
21 |
37 |
|
[NA]E:203 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
8528 |
59.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.173 |
22 |
38 |
|
[SO4]A:605 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
7 |
7390 |
57.8 |
-7.4 |
0.875 |
0 |
0 |
0 |
0.043 |
23 |
39 |
|
[NAG]E:201 |
6 |
1 |
364 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
5 |
3 |
7588 |
56.4 |
1.1 |
0.356 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
[SO4]A:604 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
7505 |
55.2 |
-7.2 |
0.785 |
1 |
0 |
0 |
0.044 |
25 |
41 |
|
E |
9 |
3 |
8528 |
◊ |
[SO4]D:203 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
187 |
55.1 |
-6.8 |
0.887 |
1 |
0 |
0 |
0.158 |
26 |
42 |
|
[SO4]D:203 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
8400 |
53.9 |
-6.9 |
0.876 |
1 |
0 |
0 |
0.160 |
27 |
43 |
|
F |
9 |
2 |
8375 |
f |
[SO4]D:203 |
x-1/2,y-1/2,z |
3_445 |
4 |
1 |
187 |
53.1 |
-7.0 |
0.790 |
1 |
0 |
0 |
0.178 |
28 |
44 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7588 |
51.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.114 |
29 |
45 |
|
[NAG]F:501 |
5 |
1 |
365 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
7505 |
51.4 |
1.1 |
0.400 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]D:201 |
4 |
1 |
364 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
6 |
3 |
7390 |
46.9 |
0.9 |
0.426 |
0 |
0 |
0 |
0.000 |
Average: |
49.2 |
1.0 |
0.413 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[SO4]D:204 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
8400 |
51.0 |
-6.4 |
0.840 |
1 |
0 |
0 |
0.026 |
31 |
48 |
|
[CL]A:603 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7390 |
45.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.096 |
32 |
49 |
|
[NA]D:205 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
8400 |
43.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.204 |
33 |
50 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7588 |
42.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.091 |
34 |
51 |
|
[NA]D:205 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
7588 |
41.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.092 |
35 |
52 |
|
[NA]E:203 |
1 |
1 |
125 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
8 |
5 |
8400 |
41.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.112 |
36 |
53 |
|
[CL]D:202 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
8400 |
36.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.062 |
54 |
|
[CL]E:202 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
8528 |
32.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.062 |
55 |
|
[CL]C:301 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
8375 |
30.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
33.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.062 |
37 |
56 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
7390 |
35.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.024 |
38 |
57 |
|
[CL]A:603 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
7505 |
29.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.021 |
39 |
58 |
|
[SO4]B:303 |
3 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8400 |
24.2 |
-3.2 |
0.671 |
0 |
0 |
0 |
0.012 |
40 |
59 |
|
[SO4]A:604 |
4 |
1 |
188 |
f |
[CL]A:603 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.079 |
41 |
60 |
|
[SO4]C:302 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
7390 |
23.3 |
-3.3 |
0.558 |
0 |
0 |
0 |
0.019 |
42 |
61 |
|
[SO4]C:302 |
4 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
8375 |
18.8 |
-2.5 |
0.651 |
0 |
0 |
0 |
0.038 |
43 |
62 |
|
[SO4]A:604 |
2 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
8375 |
18.1 |
-2.4 |
0.669 |
0 |
0 |
0 |
0.009 |
44 |
63 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8528 |
18.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.008 |
45 |
64 |
|
[SO4]C:302 |
2 |
1 |
187 |
◊ |
[CL]A:603 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.015 |
46 |
65 |
|
[NAG]E:201 |
1 |
1 |
364 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
8528 |
9.7 |
-0.0 |
0.357 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
[NAG]D:201 |
2 |
1 |
364 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
2 |
2 |
8375 |
9.3 |
-0.1 |
0.302 |
0 |
0 |
0 |
0.000 |
48 |
67 |
|
D |
2 |
1 |
8400 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
7390 |
8.4 |
0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
68 |
|
E |
1 |
1 |
8528 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
7588 |
0.7 |
0.0 |
0.674 |
0 |
0 |
0 |
0.000 |
Average: |
4.6 |
0.0 |
0.677 |
0 |
0 |
0 |
0.000 |
49 |
69 |
|
[NAG]F:501 |
2 |
1 |
365 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
2 |
2 |
8400 |
6.3 |
-0.1 |
0.317 |
0 |
0 |
0 |
0.000 |
50 |
70 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
8528 |
4.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
|