## |
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 |
|
G |
88 |
22 |
4841 |
◊ |
A |
x,y,z |
1_555 |
83 |
21 |
4714 |
863.1 |
-9.9 |
0.093 |
12 |
0 |
0 |
0.705 |
2 |
|
P |
78 |
20 |
4736 |
◊ |
I |
x,y,z |
1_555 |
78 |
21 |
4610 |
758.2 |
-9.4 |
0.071 |
10 |
0 |
0 |
0.705 |
3 |
|
E |
74 |
23 |
4601 |
◊ |
C |
x,y,z |
1_555 |
69 |
20 |
4686 |
728.6 |
-10.9 |
0.061 |
9 |
0 |
0 |
0.705 |
Average: |
783.3 |
-10.1 |
0.075 |
10 |
0 |
0 |
0.705 |
2 |
4 |
|
C |
49 |
14 |
4686 |
◊ |
P |
-y+1/2,x-1/2,z+1/4 |
3_545 |
36 |
13 |
4736 |
399.7 |
1.3 |
0.680 |
7 |
3 |
0 |
0.000 |
3 |
5 |
|
A |
42 |
11 |
4714 |
◊ |
A |
y,x,-z |
7_555 |
42 |
11 |
4714 |
359.6 |
-1.7 |
0.465 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
I |
47 |
13 |
4610 |
◊ |
G |
x,y,z |
1_555 |
44 |
12 |
4841 |
339.2 |
-3.9 |
0.274 |
2 |
0 |
0 |
0.273 |
7 |
|
I |
42 |
12 |
4610 |
◊ |
E |
x,y,z |
1_555 |
41 |
14 |
4601 |
310.3 |
-2.4 |
0.400 |
1 |
0 |
0 |
0.273 |
8 |
|
G |
41 |
13 |
4841 |
◊ |
E |
x,y,z |
1_555 |
37 |
9 |
4601 |
309.4 |
-2.7 |
0.338 |
1 |
0 |
0 |
0.273 |
Average: |
319.6 |
-3.0 |
0.338 |
1 |
0 |
0 |
0.273 |
5 |
9 |
|
G |
28 |
8 |
4841 |
◊ |
C |
y,x,-z |
7_555 |
30 |
9 |
4686 |
289.3 |
0.7 |
0.665 |
4 |
3 |
0 |
0.000 |
6 |
10 |
|
E |
39 |
9 |
4601 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
3_545 |
38 |
9 |
4610 |
284.6 |
0.2 |
0.606 |
5 |
0 |
0 |
0.000 |
7 |
11 |
|
I |
22 |
8 |
4610 |
◊ |
C |
x,y,z-1 |
1_554 |
27 |
9 |
4686 |
232.3 |
-1.2 |
0.457 |
4 |
0 |
0 |
0.000 |
8 |
12 |
|
[PT7]A:105 |
25 |
1 |
657 |
f |
A |
x,y,z |
1_555 |
37 |
11 |
4714 |
222.3 |
-2.6 |
0.270 |
0 |
0 |
0 |
0.119 |
13 |
|
[PT7]C:103 |
25 |
1 |
654 |
f |
C |
x,y,z |
1_555 |
34 |
11 |
4686 |
217.3 |
-2.5 |
0.263 |
0 |
0 |
0 |
0.119 |
14 |
|
[PT7]P:104 |
24 |
1 |
651 |
f |
P |
x,y,z |
1_555 |
35 |
12 |
4736 |
211.9 |
-2.2 |
0.255 |
0 |
0 |
0 |
0.119 |
Average: |
217.2 |
-2.5 |
0.263 |
0 |
0 |
0 |
0.119 |
9 |
15 |
|
C |
21 |
8 |
4686 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
4714 |
176.7 |
1.5 |
0.638 |
1 |
0 |
0 |
0.000 |
16 |
|
P |
24 |
9 |
4736 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
4714 |
174.8 |
1.3 |
0.688 |
1 |
0 |
0 |
0.000 |
17 |
|
P |
18 |
8 |
4736 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
4686 |
137.4 |
-0.3 |
0.529 |
0 |
0 |
0 |
0.000 |
Average: |
163.0 |
0.8 |
0.618 |
1 |
0 |
0 |
0.000 |
10 |
18 |
|
[PT7]C:103 |
18 |
1 |
654 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
4714 |
162.1 |
0.5 |
0.527 |
0 |
0 |
0 |
0.000 |
19 |
|
[PT7]A:105 |
19 |
1 |
657 |
◊ |
P |
x,y,z |
1_555 |
21 |
8 |
4736 |
161.5 |
0.6 |
0.508 |
0 |
0 |
0 |
0.000 |
Average: |
161.8 |
0.6 |
0.517 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
E |
20 |
5 |
4601 |
◊ |
P |
-y+1/2,x-1/2,z+1/4 |
3_545 |
18 |
6 |
4736 |
160.3 |
1.5 |
0.728 |
4 |
0 |
0 |
0.000 |
12 |
21 |
|
P |
18 |
8 |
4736 |
x |
P |
-y+1/2,x-1/2,z+1/4 |
3_545 |
16 |
4 |
4736 |
142.6 |
0.6 |
0.627 |
2 |
2 |
0 |
0.000 |
13 |
22 |
|
[PT7]P:104 |
16 |
1 |
651 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
4686 |
125.1 |
-0.3 |
0.431 |
0 |
0 |
0 |
0.003 |
14 |
23 |
|
I |
17 |
6 |
4610 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
4714 |
116.6 |
-0.4 |
0.503 |
2 |
0 |
0 |
0.025 |
24 |
|
G |
18 |
6 |
4841 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
4686 |
111.4 |
-0.8 |
0.387 |
2 |
0 |
0 |
0.025 |
25 |
|
P |
14 |
4 |
4736 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
4601 |
109.3 |
-1.4 |
0.301 |
1 |
0 |
0 |
0.025 |
Average: |
112.4 |
-0.9 |
0.397 |
2 |
0 |
0 |
0.025 |
15 |
26 |
|
[GOL]A:104 |
6 |
1 |
224 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
4714 |
103.6 |
0.2 |
0.587 |
1 |
0 |
0 |
0.003 |
16 |
27 |
|
I |
14 |
7 |
4610 |
◊ |
P |
-y+1/2,x-1/2,z-3/4 |
3_544 |
13 |
6 |
4736 |
99.0 |
-1.7 |
0.275 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[GOL]A:103 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
4714 |
94.5 |
-0.7 |
0.438 |
0 |
0 |
0 |
0.016 |
18 |
29 |
|
[GOL]I:103 |
5 |
1 |
220 |
◊ |
I |
x,y,z |
1_555 |
11 |
5 |
4610 |
81.6 |
1.3 |
0.721 |
2 |
0 |
0 |
0.000 |
19 |
30 |
|
[GOL]I:102 |
6 |
1 |
222 |
f |
I |
x,y,z |
1_555 |
15 |
6 |
4610 |
76.5 |
-0.6 |
0.442 |
1 |
0 |
0 |
0.025 |
20 |
31 |
|
[SO4]P:102 |
5 |
1 |
188 |
f |
P |
x,y,z |
1_555 |
8 |
4 |
4736 |
75.7 |
-9.6 |
0.860 |
3 |
0 |
0 |
0.165 |
21 |
32 |
|
[SO4]A:102 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
4714 |
73.8 |
-9.3 |
0.940 |
4 |
0 |
0 |
0.249 |
22 |
33 |
|
[SO4]P:101 |
5 |
1 |
186 |
f |
P |
x,y,z |
1_555 |
8 |
4 |
4736 |
73.6 |
-8.3 |
0.942 |
4 |
0 |
0 |
0.152 |
23 |
34 |
|
[PT7]P:104 |
11 |
1 |
651 |
◊ |
[PT7]A:105 |
x,y,z |
1_555 |
12 |
1 |
657 |
71.9 |
2.6 |
0.662 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[GOL]C:101 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
4686 |
67.2 |
0.6 |
0.730 |
3 |
0 |
0 |
0.035 |
25 |
36 |
|
[SO4]A:101 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
4714 |
66.3 |
-8.5 |
0.878 |
4 |
0 |
0 |
0.230 |
26 |
37 |
|
[PT7]P:104 |
8 |
1 |
651 |
◊ |
[PT7]C:103 |
x,y,z |
1_555 |
11 |
1 |
654 |
66.0 |
2.8 |
0.717 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[GOL]C:102 |
6 |
1 |
220 |
f |
P |
x,y,z |
1_555 |
8 |
3 |
4736 |
65.0 |
0.2 |
0.629 |
2 |
0 |
0 |
0.011 |
28 |
39 |
|
[PT7]C:103 |
11 |
1 |
654 |
◊ |
[PT7]A:105 |
x,y,z |
1_555 |
11 |
1 |
657 |
64.6 |
2.6 |
0.671 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[SO4]P:103 |
5 |
1 |
186 |
f |
P |
x,y,z |
1_555 |
12 |
4 |
4736 |
64.5 |
-7.6 |
0.907 |
3 |
0 |
0 |
0.135 |
30 |
41 |
|
[GOL]E:101 |
5 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
12 |
5 |
4841 |
63.8 |
-0.7 |
0.429 |
1 |
0 |
0 |
0.028 |
31 |
42 |
|
[SO4]P:103 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
4714 |
63.7 |
-7.2 |
0.798 |
1 |
0 |
0 |
0.079 |
32 |
43 |
|
[GOL]C:102 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
4686 |
63.7 |
0.5 |
0.554 |
2 |
0 |
0 |
0.004 |
33 |
44 |
|
[GOL]I:102 |
5 |
1 |
222 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
4601 |
63.5 |
-0.2 |
0.482 |
2 |
0 |
0 |
0.028 |
34 |
45 |
|
[GOL]E:101 |
5 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
4601 |
61.9 |
-0.7 |
0.400 |
1 |
0 |
0 |
0.028 |
35 |
46 |
|
[GOL]C:104 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
4686 |
61.8 |
0.1 |
0.569 |
3 |
0 |
0 |
0.058 |
36 |
47 |
|
[SO4]P:101 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
4714 |
61.4 |
-7.7 |
0.839 |
2 |
0 |
0 |
0.088 |
37 |
48 |
|
[SO4]A:101 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
4686 |
59.0 |
-7.0 |
0.810 |
1 |
0 |
0 |
0.077 |
38 |
49 |
|
[PT7]C:103 |
9 |
1 |
654 |
◊ |
G |
x,y,z |
1_555 |
9 |
2 |
4841 |
56.2 |
0.2 |
0.448 |
0 |
0 |
0 |
0.000 |
50 |
|
[PT7]A:105 |
9 |
1 |
657 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
4610 |
55.0 |
0.2 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
55.6 |
0.2 |
0.440 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
[SO4]A:102 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
4686 |
54.6 |
-7.9 |
0.592 |
1 |
0 |
0 |
0.086 |
40 |
52 |
|
[SO4]I:101 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
6 |
2 |
4610 |
48.0 |
-5.6 |
0.826 |
3 |
0 |
0 |
0.175 |
41 |
53 |
|
[GOL]C:104 |
5 |
1 |
219 |
◊ |
P |
x,y,z |
1_555 |
11 |
5 |
4736 |
47.0 |
0.2 |
0.604 |
0 |
0 |
0 |
0.000 |
42 |
54 |
|
[PT7]P:104 |
7 |
1 |
651 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
4601 |
45.2 |
0.3 |
0.480 |
0 |
0 |
0 |
0.000 |
43 |
55 |
|
C |
6 |
2 |
4686 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
3_545 |
5 |
2 |
4610 |
45.2 |
0.4 |
0.693 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
[SO4]I:101 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
4601 |
43.9 |
-5.2 |
0.837 |
1 |
0 |
0 |
0.143 |
45 |
57 |
|
[PT7]P:104 |
8 |
1 |
651 |
◊ |
[GOL]C:101 |
x,y,z |
1_555 |
6 |
1 |
219 |
42.9 |
-0.3 |
0.471 |
0 |
0 |
0 |
0.004 |
46 |
58 |
|
[GOL]E:101 |
4 |
1 |
219 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
4610 |
41.9 |
-0.3 |
0.494 |
0 |
0 |
0 |
0.009 |
47 |
59 |
|
[SO4]I:101 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
4841 |
40.3 |
-5.4 |
0.528 |
3 |
0 |
0 |
0.171 |
48 |
60 |
|
[GOL]I:102 |
4 |
1 |
222 |
f |
[GOL]E:101 |
x,y,z |
1_555 |
5 |
1 |
219 |
32.3 |
-0.3 |
0.433 |
0 |
0 |
0 |
0.007 |
49 |
61 |
|
[PT7]C:103 |
5 |
1 |
654 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
4601 |
27.9 |
-0.8 |
0.217 |
0 |
0 |
0 |
0.039 |
62 |
|
[PT7]P:104 |
4 |
1 |
651 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
4610 |
24.5 |
-0.8 |
0.280 |
0 |
0 |
0 |
0.039 |
63 |
|
[PT7]A:105 |
3 |
1 |
657 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
4841 |
24.2 |
-0.7 |
0.262 |
0 |
0 |
0 |
0.039 |
Average: |
25.5 |
-0.8 |
0.253 |
0 |
0 |
0 |
0.039 |
50 |
64 |
|
[GOL]I:103 |
3 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
4601 |
27.8 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
51 |
65 |
|
[GOL]C:104 |
4 |
1 |
219 |
◊ |
P |
-y+1/2,x-1/2,z+1/4 |
3_545 |
4 |
2 |
4736 |
27.7 |
0.5 |
0.710 |
2 |
0 |
0 |
0.000 |
52 |
66 |
|
[GOL]C:101 |
5 |
1 |
219 |
◊ |
P |
x,y,z |
1_555 |
4 |
3 |
4736 |
27.0 |
-0.4 |
0.356 |
0 |
0 |
0 |
0.005 |
53 |
67 |
|
[GOL]C:104 |
2 |
1 |
219 |
f |
[GOL]C:101 |
x,y,z |
1_555 |
2 |
1 |
219 |
26.2 |
-0.5 |
0.360 |
0 |
0 |
0 |
0.023 |
54 |
68 |
|
[GOL]A:104 |
2 |
1 |
224 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
4686 |
26.2 |
-0.6 |
0.327 |
0 |
0 |
0 |
0.028 |
55 |
69 |
|
[GOL]C:101 |
2 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
4601 |
25.8 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.003 |
56 |
70 |
|
[GOL]C:104 |
4 |
1 |
219 |
◊ |
[GOL]C:102 |
x,y,z |
1_555 |
2 |
1 |
220 |
24.8 |
0.3 |
0.676 |
1 |
0 |
0 |
0.001 |
57 |
71 |
|
[GOL]C:102 |
2 |
1 |
220 |
◊ |
[GOL]C:101 |
x,y,z |
1_555 |
2 |
1 |
219 |
23.1 |
-0.2 |
0.583 |
0 |
0 |
0 |
0.002 |
58 |
72 |
|
[GOL]C:104 |
4 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
4601 |
20.8 |
0.6 |
0.701 |
1 |
0 |
0 |
0.000 |
59 |
73 |
|
[SO4]P:103 |
3 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
4610 |
18.8 |
-2.3 |
0.832 |
0 |
0 |
0 |
0.034 |
60 |
74 |
|
[GOL]E:101 |
2 |
1 |
219 |
f |
[SO4]I:101 |
x,y,z |
1_555 |
4 |
1 |
184 |
18.4 |
-1.9 |
0.865 |
1 |
0 |
0 |
0.060 |
61 |
75 |
|
[SO4]A:101 |
4 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
4841 |
17.9 |
-1.9 |
0.796 |
0 |
0 |
0 |
0.042 |
62 |
76 |
|
[GOL]I:102 |
2 |
1 |
222 |
f |
[SO4]I:101 |
x,y,z |
1_555 |
3 |
1 |
184 |
17.8 |
-2.6 |
0.498 |
0 |
0 |
0 |
0.066 |
63 |
77 |
|
G |
3 |
2 |
4841 |
◊ |
A |
y,x,-z |
7_555 |
1 |
1 |
4714 |
15.0 |
0.7 |
0.824 |
0 |
0 |
0 |
0.000 |
64 |
78 |
|
[PT7]P:104 |
2 |
1 |
651 |
◊ |
[GOL]C:104 |
x,y,z |
1_555 |
1 |
1 |
219 |
14.4 |
-0.1 |
0.446 |
0 |
0 |
0 |
0.000 |
65 |
79 |
|
[PT7]A:105 |
2 |
1 |
657 |
◊ |
[SO4]P:101 |
x,y,z |
1_555 |
1 |
1 |
186 |
12.9 |
-1.9 |
0.590 |
0 |
0 |
0 |
0.019 |
66 |
80 |
|
[PT7]P:104 |
3 |
1 |
651 |
f |
[GOL]C:102 |
x,y,z |
1_555 |
2 |
1 |
220 |
12.9 |
-0.2 |
0.485 |
0 |
0 |
0 |
0.003 |
67 |
81 |
|
[PT7]C:103 |
2 |
1 |
654 |
◊ |
[SO4]A:102 |
x,y,z |
1_555 |
1 |
1 |
186 |
12.2 |
-1.8 |
0.598 |
0 |
0 |
0 |
0.019 |
68 |
82 |
|
[SO4]P:103 |
1 |
1 |
186 |
f |
[SO4]P:101 |
x,y,z |
1_555 |
3 |
1 |
186 |
12.1 |
-2.9 |
0.891 |
0 |
0 |
0 |
0.044 |
69 |
83 |
|
P |
4 |
2 |
4736 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
3_545 |
3 |
1 |
4610 |
12.0 |
0.4 |
0.695 |
0 |
0 |
0 |
0.000 |
70 |
84 |
|
[SO4]A:101 |
1 |
1 |
187 |
◊ |
G |
y,x,-z |
7_555 |
4 |
1 |
4841 |
10.8 |
-1.0 |
0.728 |
0 |
0 |
0 |
0.000 |
71 |
85 |
|
[SO4]A:102 |
2 |
1 |
186 |
f |
[SO4]A:101 |
x,y,z |
1_555 |
3 |
1 |
187 |
9.2 |
-2.1 |
0.976 |
0 |
0 |
0 |
0.046 |
72 |
86 |
|
E |
1 |
1 |
4601 |
◊ |
[SO4]P:103 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
186 |
7.0 |
-0.6 |
0.791 |
0 |
0 |
0 |
0.000 |
73 |
87 |
|
[GOL]C:102 |
1 |
1 |
220 |
◊ |
P |
-y+1/2,x-1/2,z+1/4 |
3_545 |
4 |
2 |
4736 |
6.6 |
0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
74 |
88 |
|
[SO4]P:102 |
1 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4714 |
6.1 |
-0.8 |
0.521 |
0 |
0 |
0 |
0.009 |
75 |
89 |
|
[PT7]C:103 |
2 |
1 |
654 |
◊ |
[SO4]A:101 |
x,y,z |
1_555 |
1 |
1 |
187 |
5.5 |
-0.7 |
0.630 |
0 |
0 |
0 |
0.008 |
76 |
90 |
|
[PT7]A:105 |
2 |
1 |
657 |
◊ |
[SO4]P:103 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.5 |
-0.5 |
0.642 |
0 |
0 |
0 |
0.006 |
77 |
91 |
|
[GOL]A:103 |
1 |
1 |
221 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
4736 |
4.1 |
0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
78 |
92 |
|
[PT7]P:104 |
2 |
1 |
651 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
4714 |
3.6 |
0.1 |
0.592 |
0 |
0 |
0 |
0.000 |
|