## |
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 |
93 |
27 |
11043 |
◊ |
C |
x,y,z |
1_555 |
95 |
27 |
11028 |
761.5 |
-9.4 |
0.057 |
10 |
0 |
0 |
0.127 |
2 |
|
B |
89 |
27 |
11042 |
◊ |
A |
x,y,z |
1_555 |
90 |
27 |
11073 |
757.4 |
-9.2 |
0.055 |
10 |
0 |
0 |
0.127 |
3 |
|
F |
91 |
27 |
11052 |
◊ |
E |
x,y,z |
1_555 |
94 |
28 |
11056 |
756.7 |
-9.2 |
0.058 |
10 |
0 |
0 |
0.127 |
Average: |
758.5 |
-9.3 |
0.057 |
10 |
0 |
0 |
0.127 |
2 |
4 |
|
C |
34 |
13 |
11028 |
◊ |
D |
x,y-1,z |
1_545 |
38 |
13 |
11043 |
358.9 |
-1.5 |
0.319 |
5 |
0 |
0 |
0.000 |
5 |
|
C |
37 |
13 |
11028 |
◊ |
D |
x-1,y,z |
1_455 |
35 |
13 |
11043 |
358.1 |
-1.4 |
0.327 |
5 |
0 |
0 |
0.000 |
6 |
|
A |
33 |
13 |
11073 |
◊ |
B |
x-1,y+1,z |
1_465 |
36 |
13 |
11042 |
356.5 |
-1.2 |
0.330 |
4 |
0 |
0 |
0.000 |
7 |
|
F |
36 |
13 |
11052 |
◊ |
E |
x-1,y,z |
1_455 |
37 |
13 |
11056 |
356.5 |
-1.4 |
0.325 |
5 |
0 |
0 |
0.000 |
8 |
|
F |
32 |
13 |
11052 |
◊ |
E |
x-1,y+1,z |
1_465 |
37 |
13 |
11056 |
356.3 |
-1.2 |
0.342 |
4 |
0 |
0 |
0.000 |
9 |
|
B |
35 |
13 |
11042 |
◊ |
A |
x,y-1,z |
1_545 |
35 |
13 |
11073 |
355.3 |
-1.2 |
0.332 |
4 |
0 |
0 |
0.000 |
Average: |
356.9 |
-1.3 |
0.329 |
5 |
0 |
0 |
0.000 |
3 |
10 |
|
C |
26 |
8 |
11028 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
11042 |
273.9 |
-1.1 |
0.393 |
1 |
0 |
0 |
0.000 |
11 |
|
F |
26 |
8 |
11052 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
11073 |
267.7 |
-0.9 |
0.430 |
0 |
0 |
0 |
0.000 |
12 |
|
E |
26 |
8 |
11056 |
◊ |
D |
x,y,z-1 |
1_554 |
25 |
7 |
11043 |
260.6 |
-1.6 |
0.312 |
0 |
0 |
0 |
0.000 |
Average: |
267.4 |
-1.2 |
0.378 |
0 |
0 |
0 |
0.000 |
4 |
13 |
|
E |
25 |
9 |
11056 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
11042 |
192.4 |
-0.6 |
0.461 |
1 |
0 |
0 |
0.000 |
14 |
|
F |
25 |
9 |
11052 |
◊ |
C |
x,y,z-1 |
1_554 |
24 |
8 |
11028 |
185.7 |
-0.6 |
0.468 |
1 |
0 |
0 |
0.000 |
15 |
|
D |
25 |
9 |
11043 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
11073 |
185.5 |
-0.5 |
0.483 |
1 |
0 |
0 |
0.000 |
Average: |
187.9 |
-0.6 |
0.471 |
1 |
0 |
0 |
0.000 |
5 |
16 |
|
F |
17 |
6 |
11052 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
6 |
11043 |
131.1 |
1.0 |
0.713 |
2 |
0 |
0 |
0.000 |
17 |
|
E |
15 |
6 |
11056 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11073 |
128.4 |
0.5 |
0.644 |
2 |
0 |
0 |
0.000 |
18 |
|
F |
14 |
6 |
11052 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
11042 |
126.3 |
1.1 |
0.720 |
1 |
0 |
0 |
0.000 |
19 |
|
D |
16 |
6 |
11043 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
11042 |
122.3 |
0.2 |
0.532 |
1 |
0 |
0 |
0.000 |
20 |
|
C |
16 |
6 |
11028 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
11073 |
119.3 |
0.1 |
0.529 |
1 |
0 |
0 |
0.000 |
21 |
|
E |
14 |
6 |
11056 |
◊ |
C |
x,y,z-1 |
1_554 |
14 |
6 |
11028 |
108.8 |
0.4 |
0.599 |
2 |
0 |
0 |
0.000 |
Average: |
122.7 |
0.5 |
0.623 |
2 |
0 |
0 |
0.000 |
6 |
22 |
|
[EDO]B:262 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
11042 |
102.0 |
3.4 |
0.463 |
3 |
0 |
0 |
0.000 |
7 |
23 |
|
[EDO]E:262 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
11056 |
101.2 |
3.2 |
0.455 |
3 |
0 |
0 |
0.000 |
8 |
24 |
|
[EDO]A:262 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
11073 |
100.9 |
3.2 |
0.450 |
2 |
0 |
0 |
0.000 |
9 |
25 |
|
[EDO]F:262 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
11052 |
100.1 |
3.1 |
0.455 |
3 |
0 |
0 |
0.000 |
10 |
26 |
|
[EDO]D:262 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
11043 |
99.5 |
3.2 |
0.457 |
2 |
0 |
0 |
0.000 |
27 |
|
[EDO]C:262 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
11028 |
99.4 |
3.3 |
0.457 |
2 |
0 |
0 |
0.000 |
Average: |
99.5 |
3.3 |
0.457 |
2 |
0 |
0 |
0.000 |
11 |
28 |
|
[SO4]D:258 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
11043 |
95.5 |
-14.7 |
0.674 |
5 |
0 |
0 |
0.156 |
12 |
29 |
|
[SO4]E:258 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
11056 |
95.2 |
-14.9 |
0.674 |
5 |
0 |
0 |
0.155 |
13 |
30 |
|
[SO4]A:258 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11073 |
94.9 |
-15.1 |
0.668 |
5 |
0 |
0 |
0.156 |
14 |
31 |
|
[SO4]B:258 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11042 |
94.9 |
-14.8 |
0.667 |
5 |
0 |
0 |
0.153 |
15 |
32 |
|
[SO4]F:258 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
11052 |
94.8 |
-14.9 |
0.665 |
5 |
0 |
0 |
0.155 |
16 |
33 |
|
[SO4]C:258 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11028 |
94.8 |
-14.8 |
0.670 |
5 |
0 |
0 |
0.156 |
17 |
34 |
|
[SO4]E:260 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
11056 |
75.6 |
-11.6 |
0.618 |
4 |
0 |
0 |
0.120 |
18 |
35 |
|
[SO4]A:260 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11073 |
75.0 |
-11.4 |
0.622 |
4 |
0 |
0 |
0.119 |
19 |
36 |
|
[SO4]B:260 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
11042 |
74.9 |
-11.5 |
0.613 |
4 |
0 |
0 |
0.120 |
37 |
|
[SO4]D:260 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
11043 |
73.7 |
-11.3 |
0.647 |
4 |
0 |
0 |
0.120 |
Average: |
74.3 |
-11.4 |
0.630 |
4 |
0 |
0 |
0.120 |
20 |
38 |
|
[SO4]C:260 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
11028 |
74.9 |
-11.4 |
0.636 |
4 |
0 |
0 |
0.121 |
21 |
39 |
|
[SO4]F:260 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
11052 |
74.5 |
-11.3 |
0.640 |
4 |
0 |
0 |
0.118 |
22 |
40 |
|
[FMT]A:263 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11042 |
67.3 |
-0.3 |
0.331 |
1 |
0 |
0 |
0.007 |
41 |
|
[FMT]F:263 |
3 |
1 |
148 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
11056 |
66.7 |
-0.2 |
0.338 |
1 |
0 |
0 |
0.007 |
Average: |
67.0 |
-0.3 |
0.334 |
1 |
0 |
0 |
0.007 |
23 |
42 |
|
[FMT]C:264 |
3 |
1 |
148 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
11043 |
67.0 |
-0.4 |
0.334 |
1 |
0 |
0 |
0.007 |
24 |
43 |
|
[FMT]B:264 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11073 |
66.9 |
-0.2 |
0.340 |
1 |
0 |
0 |
0.006 |
44 |
|
[FMT]D:263 |
3 |
1 |
148 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
11028 |
66.6 |
-0.2 |
0.337 |
1 |
0 |
0 |
0.006 |
Average: |
66.8 |
-0.2 |
0.339 |
1 |
0 |
0 |
0.006 |
25 |
45 |
|
[FMT]E:264 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
11052 |
66.8 |
-0.2 |
0.337 |
1 |
0 |
0 |
0.006 |
26 |
46 |
|
[FMT]B:263 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11042 |
66.2 |
-0.1 |
0.352 |
2 |
0 |
0 |
0.009 |
27 |
47 |
|
[FMT]C:263 |
3 |
1 |
148 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
11028 |
66.0 |
-0.4 |
0.347 |
0 |
0 |
0 |
0.003 |
28 |
48 |
|
[FMT]D:264 |
3 |
1 |
148 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
11043 |
65.8 |
-0.3 |
0.349 |
0 |
0 |
0 |
0.003 |
29 |
49 |
|
[FMT]E:263 |
3 |
1 |
148 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
11056 |
65.8 |
-0.4 |
0.347 |
0 |
0 |
0 |
0.003 |
30 |
50 |
|
[FMT]A:264 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11073 |
65.7 |
-0.3 |
0.353 |
0 |
0 |
0 |
0.003 |
31 |
51 |
|
[FMT]F:264 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
11052 |
65.6 |
-0.3 |
0.347 |
0 |
0 |
0 |
0.003 |
32 |
52 |
|
[SO4]F:261 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
11052 |
62.7 |
-7.7 |
0.720 |
2 |
0 |
0 |
0.077 |
33 |
53 |
|
[SO4]E:261 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
11056 |
62.3 |
-8.0 |
0.640 |
3 |
0 |
0 |
0.085 |
34 |
54 |
|
[SO4]C:261 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
11028 |
61.8 |
-7.8 |
0.593 |
3 |
0 |
0 |
0.084 |
35 |
55 |
|
[SO4]F:259 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
11052 |
61.7 |
-8.5 |
0.720 |
2 |
0 |
0 |
0.085 |
36 |
56 |
|
[SO4]A:259 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11073 |
61.4 |
-8.6 |
0.709 |
2 |
0 |
0 |
0.086 |
37 |
57 |
|
[SO4]E:259 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
11056 |
60.8 |
-8.5 |
0.719 |
2 |
0 |
0 |
0.085 |
38 |
58 |
|
[SO4]B:261 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
11042 |
60.4 |
-7.8 |
0.553 |
3 |
0 |
0 |
0.082 |
39 |
59 |
|
[SO4]A:261 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
11073 |
60.3 |
-7.5 |
0.686 |
3 |
0 |
0 |
0.079 |
40 |
60 |
|
[SO4]B:259 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
11042 |
59.3 |
-8.3 |
0.709 |
2 |
0 |
0 |
0.083 |
41 |
61 |
|
[SO4]C:259 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
11028 |
59.0 |
-8.2 |
0.699 |
2 |
0 |
0 |
0.084 |
42 |
62 |
|
[SO4]D:261 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
11043 |
58.9 |
-7.5 |
0.588 |
3 |
0 |
0 |
0.081 |
43 |
63 |
|
[SO4]D:259 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
11043 |
58.8 |
-8.2 |
0.707 |
2 |
0 |
0 |
0.084 |
44 |
64 |
|
[FMT]E:264 |
3 |
1 |
149 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
11056 |
39.7 |
0.1 |
0.398 |
1 |
0 |
0 |
0.003 |
45 |
65 |
|
[FMT]D:263 |
3 |
1 |
148 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
11043 |
39.7 |
0.1 |
0.400 |
1 |
0 |
0 |
0.003 |
66 |
|
[FMT]B:264 |
3 |
1 |
149 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11042 |
39.3 |
0.1 |
0.401 |
1 |
0 |
0 |
0.003 |
Average: |
39.5 |
0.1 |
0.401 |
1 |
0 |
0 |
0.003 |
46 |
67 |
|
[FMT]C:264 |
3 |
1 |
148 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
11028 |
39.4 |
0.2 |
0.658 |
1 |
0 |
0 |
0.002 |
47 |
68 |
|
[FMT]A:263 |
3 |
1 |
149 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11073 |
39.2 |
0.2 |
0.401 |
1 |
0 |
0 |
0.003 |
48 |
69 |
|
[FMT]F:263 |
3 |
1 |
148 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
11052 |
39.1 |
0.1 |
0.402 |
1 |
0 |
0 |
0.003 |
49 |
70 |
|
[FMT]D:264 |
3 |
1 |
148 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
11028 |
32.7 |
-0.2 |
0.328 |
0 |
0 |
0 |
0.001 |
50 |
71 |
|
[FMT]B:263 |
3 |
1 |
148 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11073 |
30.9 |
-0.6 |
0.323 |
0 |
0 |
0 |
0.005 |
51 |
72 |
|
[FMT]A:264 |
3 |
1 |
149 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11042 |
30.1 |
-0.2 |
0.328 |
0 |
0 |
0 |
0.002 |
52 |
73 |
|
[FMT]E:263 |
3 |
1 |
148 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
11052 |
28.6 |
-0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
53 |
74 |
|
[FMT]C:263 |
3 |
1 |
148 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
11043 |
28.6 |
-0.1 |
0.331 |
0 |
0 |
0 |
0.001 |
54 |
75 |
|
[FMT]F:264 |
3 |
1 |
149 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
11056 |
28.3 |
-0.1 |
0.326 |
0 |
0 |
0 |
0.001 |
55 |
76 |
|
[FMT]F:264 |
3 |
1 |
149 |
f |
[FMT]E:264 |
x,y,z |
1_555 |
3 |
1 |
149 |
28.0 |
-0.2 |
0.259 |
0 |
0 |
0 |
0.002 |
56 |
77 |
|
[FMT]B:264 |
3 |
1 |
149 |
f |
[FMT]A:264 |
x,y,z |
1_555 |
3 |
1 |
149 |
27.8 |
-0.2 |
0.259 |
0 |
0 |
0 |
0.002 |
57 |
78 |
|
[FMT]F:263 |
3 |
1 |
148 |
f |
[FMT]E:263 |
x,y,z |
1_555 |
3 |
1 |
148 |
27.7 |
-0.1 |
0.259 |
0 |
0 |
0 |
0.001 |
58 |
79 |
|
[FMT]D:263 |
3 |
1 |
148 |
f |
[FMT]C:263 |
x,y,z |
1_555 |
3 |
1 |
148 |
27.5 |
-0.2 |
0.259 |
0 |
0 |
0 |
0.001 |
59 |
80 |
|
[FMT]B:263 |
3 |
1 |
148 |
f |
[FMT]A:263 |
x,y,z |
1_555 |
2 |
1 |
149 |
27.5 |
-0.2 |
0.380 |
0 |
0 |
0 |
0.002 |
60 |
81 |
|
[FMT]D:264 |
3 |
1 |
148 |
f |
[FMT]C:264 |
x,y,z |
1_555 |
2 |
1 |
148 |
26.6 |
-0.1 |
0.380 |
0 |
0 |
0 |
0.001 |
61 |
82 |
|
A |
1 |
1 |
11073 |
◊ |
[SO4]B:259 |
x-1,y+1,z |
1_465 |
1 |
1 |
184 |
1.2 |
-0.1 |
0.835 |
0 |
0 |
0 |
0.000 |
62 |
83 |
|
C |
1 |
1 |
11028 |
◊ |
[SO4]D:259 |
x,y-1,z |
1_545 |
1 |
1 |
184 |
1.1 |
-0.1 |
0.834 |
0 |
0 |
0 |
0.000 |
63 |
84 |
|
B |
1 |
1 |
11042 |
◊ |
[SO4]A:259 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
1.0 |
-0.1 |
0.829 |
0 |
0 |
0 |
0.000 |
64 |
85 |
|
[SO4]F:259 |
1 |
1 |
185 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
11056 |
0.5 |
-0.1 |
0.815 |
0 |
0 |
0 |
0.000 |
65 |
86 |
|
F |
1 |
1 |
11052 |
◊ |
[SO4]E:259 |
x-1,y+1,z |
1_465 |
1 |
1 |
185 |
0.4 |
-0.1 |
0.809 |
0 |
0 |
0 |
0.000 |
|