## |
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 |
|
2G |
235 |
61 |
17329 |
x |
G |
x,y,z |
1_555 |
271 |
68 |
17329 |
2472.6 |
-25.1 |
0.228 |
35 |
8 |
0 |
0.983 |
2 |
2 |
|
D |
252 |
65 |
17738 |
◊ |
C |
x,y,z |
1_555 |
228 |
62 |
17746 |
2365.9 |
-21.7 |
0.315 |
33 |
10 |
0 |
1.000 |
3 |
|
F |
240 |
61 |
17598 |
◊ |
A |
x,y,z |
1_555 |
255 |
66 |
17576 |
2354.1 |
-22.4 |
0.254 |
30 |
8 |
0 |
1.000 |
Average: |
2360.0 |
-22.1 |
0.285 |
32 |
9 |
0 |
1.000 |
3 |
4 |
|
C |
251 |
66 |
17746 |
◊ |
B |
x,y,z |
1_555 |
227 |
61 |
17755 |
2356.3 |
-20.8 |
0.326 |
32 |
9 |
0 |
0.991 |
5 |
|
F |
253 |
66 |
17598 |
◊ |
E |
x,y,z |
1_555 |
230 |
61 |
17724 |
2352.8 |
-21.7 |
0.271 |
31 |
9 |
0 |
0.991 |
6 |
|
E |
253 |
65 |
17724 |
◊ |
D |
x,y,z |
1_555 |
227 |
60 |
17738 |
2346.3 |
-23.4 |
0.243 |
33 |
10 |
0 |
0.991 |
7 |
|
B |
246 |
64 |
17755 |
◊ |
A |
x,y,z |
1_555 |
223 |
60 |
17576 |
2301.4 |
-23.5 |
0.220 |
32 |
11 |
0 |
0.991 |
Average: |
2339.2 |
-22.3 |
0.265 |
32 |
10 |
0 |
0.991 |
4 |
8 |
|
G |
110 |
29 |
17329 |
x |
F |
x,y,z |
1_555 |
90 |
23 |
17598 |
894.8 |
-4.1 |
0.551 |
15 |
13 |
0 |
1.000 |
9 |
|
22C |
108 |
29 |
17746 |
x |
B |
x,y,z |
1_555 |
82 |
22 |
17755 |
893.1 |
-4.8 |
0.518 |
15 |
13 |
0 |
1.000 |
10 |
|
10D |
104 |
29 |
17738 |
x |
D |
x,y,z |
1_555 |
82 |
22 |
17738 |
891.2 |
-3.6 |
0.643 |
16 |
13 |
0 |
1.000 |
11 |
|
23E |
109 |
29 |
17724 |
x |
C |
x,y,z |
1_555 |
82 |
22 |
17746 |
887.0 |
-2.7 |
0.697 |
16 |
15 |
0 |
1.000 |
Average: |
891.6 |
-3.8 |
0.603 |
16 |
14 |
0 |
1.000 |
5 |
12 |
|
2G |
85 |
22 |
17329 |
◊ |
A |
x,y,z |
1_555 |
110 |
29 |
17576 |
894.6 |
-3.1 |
0.668 |
15 |
15 |
0 |
0.286 |
6 |
13 |
|
2F |
114 |
30 |
17598 |
◊ |
A |
x,y,z |
1_555 |
81 |
22 |
17576 |
893.4 |
-2.1 |
0.717 |
17 |
17 |
0 |
0.358 |
14 |
|
2E |
83 |
22 |
17724 |
◊ |
B |
x,y,z |
1_555 |
107 |
29 |
17755 |
877.4 |
-4.1 |
0.619 |
18 |
14 |
0 |
0.358 |
Average: |
885.4 |
-3.1 |
0.668 |
18 |
16 |
0 |
0.358 |
7 |
15 |
|
2G |
83 |
27 |
17329 |
◊ |
F |
x,y,z |
1_555 |
85 |
24 |
17598 |
856.0 |
-12.1 |
0.101 |
8 |
0 |
0 |
1.000 |
8 |
16 |
|
22B |
70 |
22 |
17755 |
◊ |
B |
x,y,z |
1_555 |
71 |
22 |
17755 |
775.5 |
-15.6 |
0.023 |
6 |
0 |
0 |
1.000 |
9 |
17 |
|
23D |
67 |
22 |
17738 |
◊ |
C |
x,y,z |
1_555 |
69 |
22 |
17746 |
764.7 |
-14.8 |
0.027 |
5 |
0 |
0 |
1.000 |
18 |
|
2E |
68 |
22 |
17724 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
17576 |
743.9 |
-14.3 |
0.033 |
5 |
0 |
0 |
1.000 |
Average: |
754.3 |
-14.5 |
0.030 |
5 |
0 |
0 |
1.000 |
10 |
19 |
|
2B |
43 |
16 |
17755 |
◊ |
10A |
-x+2,y-1/2,-z+2 |
2_747 |
41 |
15 |
17576 |
359.0 |
0.7 |
0.796 |
5 |
0 |
0 |
0.000 |
11 |
20 |
|
20B |
34 |
11 |
17755 |
◊ |
59B |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
13 |
17755 |
295.1 |
-2.7 |
0.488 |
1 |
0 |
0 |
0.000 |
12 |
21 |
|
30F |
28 |
11 |
17598 |
◊ |
24D |
-x+1,y-1/2,-z+2 |
2_647 |
34 |
12 |
17738 |
289.1 |
0.8 |
0.613 |
3 |
0 |
0 |
0.000 |
13 |
22 |
|
10E |
33 |
7 |
17724 |
◊ |
D |
x,y,z |
1_555 |
29 |
8 |
17738 |
283.1 |
-2.1 |
0.506 |
2 |
0 |
0 |
0.012 |
23 |
|
2G |
30 |
9 |
17329 |
◊ |
B |
x,y,z |
1_555 |
34 |
7 |
17755 |
271.3 |
-2.1 |
0.512 |
1 |
0 |
0 |
0.012 |
Average: |
277.2 |
-2.1 |
0.509 |
2 |
0 |
0 |
0.012 |
14 |
24 |
|
22D |
33 |
7 |
17738 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
17755 |
282.8 |
-2.0 |
0.519 |
2 |
0 |
0 |
0.006 |
15 |
25 |
|
2A |
37 |
8 |
17576 |
x |
A |
x,y,z |
1_555 |
30 |
8 |
17576 |
280.8 |
-1.3 |
0.578 |
2 |
0 |
0 |
0.005 |
16 |
26 |
|
23F |
32 |
7 |
17598 |
◊ |
C |
x,y,z |
1_555 |
28 |
9 |
17746 |
276.9 |
-2.0 |
0.479 |
2 |
0 |
0 |
0.006 |
17 |
27 |
|
20C |
34 |
16 |
17746 |
◊ |
59B |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
15 |
17755 |
276.1 |
1.1 |
0.814 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
2E |
30 |
9 |
17724 |
◊ |
C |
x,y,z |
1_555 |
37 |
7 |
17746 |
269.8 |
-1.6 |
0.567 |
2 |
0 |
0 |
0.005 |
19 |
29 |
|
5G |
32 |
7 |
17329 |
◊ |
F |
x,y,z |
1_555 |
28 |
9 |
17598 |
264.9 |
-2.2 |
0.442 |
2 |
0 |
0 |
0.007 |
20 |
30 |
|
2C |
20 |
13 |
17746 |
◊ |
10B |
-x+2,y-1/2,-z+2 |
2_747 |
28 |
12 |
17755 |
228.8 |
0.3 |
0.741 |
1 |
0 |
0 |
0.000 |
21 |
31 |
|
47F |
25 |
9 |
17598 |
◊ |
40D |
-x+2,y-1/2,-z+1 |
2_746 |
23 |
8 |
17738 |
225.1 |
2.4 |
0.827 |
3 |
0 |
0 |
0.000 |
22 |
32 |
|
2B |
25 |
9 |
17755 |
◊ |
10B |
-x+2,y-1/2,-z+2 |
2_747 |
25 |
10 |
17755 |
217.5 |
-1.5 |
0.547 |
1 |
0 |
0 |
0.000 |
33 |
|
2C |
15 |
6 |
17746 |
◊ |
10A |
-x+2,y-1/2,-z+2 |
2_747 |
6 |
4 |
17576 |
118.0 |
-0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
167.8 |
-0.8 |
0.587 |
1 |
0 |
0 |
0.000 |
23 |
34 |
|
11F |
29 |
12 |
17598 |
◊ |
18C |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
7 |
17746 |
187.7 |
-0.4 |
0.575 |
1 |
0 |
0 |
0.000 |
24 |
35 |
|
30D |
22 |
11 |
17738 |
◊ |
54E |
-x+1,y-1/2,-z+2 |
2_647 |
22 |
10 |
17724 |
145.9 |
-1.0 |
0.591 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
37E |
15 |
8 |
17724 |
◊ |
31A |
-x+2,y-1/2,-z+1 |
2_746 |
19 |
7 |
17576 |
145.9 |
0.8 |
0.711 |
1 |
0 |
0 |
0.000 |
26 |
37 |
|
20B |
18 |
10 |
17755 |
◊ |
59A |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
10 |
17576 |
142.0 |
2.3 |
0.873 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
11F |
15 |
6 |
17598 |
◊ |
18B |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
8 |
17755 |
134.8 |
1.0 |
0.786 |
2 |
0 |
0 |
0.000 |
28 |
39 |
|
F |
18 |
7 |
17598 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
17755 |
133.1 |
1.5 |
0.819 |
3 |
1 |
0 |
0.000 |
40 |
|
E |
9 |
3 |
17724 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
17746 |
128.8 |
1.8 |
0.853 |
2 |
1 |
0 |
0.000 |
41 |
|
D |
8 |
3 |
17738 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
17755 |
121.1 |
1.6 |
0.801 |
3 |
1 |
0 |
0.000 |
42 |
|
E |
17 |
7 |
17724 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
17576 |
116.1 |
0.9 |
0.785 |
2 |
1 |
0 |
0.000 |
Average: |
124.8 |
1.4 |
0.814 |
3 |
1 |
0 |
0.000 |
29 |
43 |
|
F |
9 |
3 |
17598 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
17738 |
127.9 |
1.7 |
0.829 |
5 |
1 |
0 |
0.009 |
44 |
|
C |
7 |
2 |
17746 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
17576 |
112.1 |
1.0 |
0.790 |
1 |
0 |
0 |
0.009 |
Average: |
120.0 |
1.3 |
0.809 |
3 |
1 |
0 |
0.009 |
30 |
45 |
|
3G |
19 |
6 |
17329 |
x |
G |
x,y,z |
1_555 |
8 |
2 |
17329 |
115.3 |
1.2 |
0.828 |
4 |
1 |
0 |
0.017 |
31 |
46 |
|
27D |
9 |
4 |
17738 |
◊ |
49E |
x-1,y,z |
1_455 |
13 |
5 |
17724 |
95.7 |
-2.0 |
0.264 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
20C |
11 |
5 |
17746 |
◊ |
59A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
17576 |
76.6 |
0.9 |
0.792 |
1 |
0 |
0 |
0.000 |
33 |
48 |
|
15C |
9 |
5 |
17746 |
◊ |
59D |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
5 |
17738 |
74.5 |
-0.8 |
0.536 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
30F |
9 |
5 |
17598 |
◊ |
24E |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
5 |
17724 |
73.2 |
-0.3 |
0.575 |
2 |
0 |
0 |
0.000 |
35 |
50 |
|
20C |
4 |
2 |
17746 |
◊ |
60E |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
17724 |
65.4 |
-1.1 |
0.289 |
1 |
0 |
0 |
0.000 |
36 |
51 |
|
15C |
12 |
7 |
17746 |
◊ |
59C |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
17746 |
64.5 |
0.2 |
0.690 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
15B |
10 |
4 |
17755 |
◊ |
59B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
5 |
17755 |
60.5 |
-0.3 |
0.574 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
17E |
3 |
1 |
17724 |
◊ |
34C |
x-1,y,z |
1_455 |
7 |
2 |
17746 |
49.2 |
-0.6 |
0.287 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
41C |
7 |
3 |
17746 |
◊ |
10D |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
17738 |
47.4 |
0.3 |
0.605 |
1 |
0 |
0 |
0.000 |
40 |
55 |
|
41C |
4 |
2 |
17746 |
◊ |
10C |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
2 |
17746 |
47.1 |
0.5 |
0.732 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[SO4]A:1384 |
4 |
1 |
193 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
17576 |
42.5 |
-4.0 |
0.955 |
2 |
0 |
0 |
0.229 |
42 |
57 |
|
47C |
7 |
5 |
17746 |
◊ |
31D |
-x+2,y-1/2,-z+1 |
2_746 |
8 |
4 |
17738 |
41.9 |
-0.3 |
0.545 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
21E |
5 |
2 |
17724 |
◊ |
54A |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
17576 |
41.4 |
-0.3 |
0.489 |
1 |
0 |
0 |
0.000 |
44 |
59 |
|
47A |
2 |
2 |
17576 |
◊ |
40E |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
3 |
17724 |
38.0 |
-1.0 |
0.200 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
20A |
5 |
2 |
17576 |
◊ |
59G |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17329 |
37.7 |
-0.9 |
0.131 |
0 |
0 |
0 |
0.000 |
46 |
61 |
|
27E |
3 |
2 |
17724 |
◊ |
49D |
x-1,y,z |
1_455 |
5 |
3 |
17738 |
35.3 |
-0.6 |
0.331 |
0 |
0 |
0 |
0.000 |
47 |
62 |
|
42F |
5 |
3 |
17598 |
◊ |
5B |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
2 |
17755 |
34.3 |
0.3 |
0.722 |
0 |
0 |
0 |
0.000 |
48 |
63 |
|
[CL]G:1385 |
1 |
1 |
125 |
x |
G |
x,y,z |
1_555 |
3 |
1 |
17329 |
28.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.047 |
49 |
64 |
|
[SO4]A:1384 |
4 |
1 |
193 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
17598 |
28.4 |
-3.4 |
0.820 |
0 |
0 |
0 |
0.074 |
50 |
65 |
|
20B |
4 |
2 |
17755 |
◊ |
60G |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
17329 |
25.6 |
-0.1 |
0.536 |
0 |
0 |
0 |
0.000 |
51 |
66 |
|
11F |
4 |
1 |
17598 |
◊ |
18D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17738 |
25.0 |
-0.6 |
0.217 |
0 |
0 |
0 |
0.000 |
52 |
67 |
|
[SO4]A:1384 |
2 |
1 |
193 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
17738 |
23.1 |
-2.8 |
0.801 |
0 |
0 |
0 |
0.012 |
53 |
68 |
|
2A |
4 |
1 |
17576 |
◊ |
10F |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
17598 |
22.5 |
0.1 |
0.520 |
0 |
0 |
0 |
0.000 |
54 |
69 |
|
20A |
4 |
2 |
17576 |
◊ |
60G |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
17329 |
22.3 |
0.9 |
0.850 |
1 |
0 |
0 |
0.000 |
55 |
70 |
|
15B |
4 |
2 |
17755 |
◊ |
59D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
17738 |
22.2 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
56 |
71 |
|
47C |
2 |
2 |
17746 |
◊ |
31E |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
17724 |
20.7 |
0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
57 |
72 |
|
[SO4]A:1384 |
2 |
1 |
193 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17746 |
19.3 |
-2.4 |
0.821 |
0 |
0 |
0 |
0.029 |
58 |
73 |
|
2B |
3 |
1 |
17755 |
◊ |
6G |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
17329 |
19.1 |
-0.4 |
0.379 |
0 |
0 |
0 |
0.000 |
59 |
74 |
|
30A |
1 |
1 |
17576 |
◊ |
24E |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
17724 |
19.1 |
-0.6 |
0.146 |
0 |
0 |
0 |
0.000 |
60 |
75 |
|
17D |
5 |
3 |
17738 |
◊ |
34D |
x-1,y,z |
1_455 |
3 |
1 |
17738 |
18.8 |
-0.1 |
0.526 |
0 |
0 |
0 |
0.000 |
61 |
76 |
|
27C |
3 |
2 |
17746 |
◊ |
49E |
x-1,y,z |
1_455 |
3 |
2 |
17724 |
17.0 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
62 |
77 |
|
[SO4]A:1384 |
3 |
1 |
193 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
17724 |
16.9 |
-1.9 |
0.773 |
0 |
0 |
0 |
0.008 |
63 |
78 |
|
[SO4]A:1384 |
1 |
1 |
193 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17755 |
16.1 |
-2.1 |
0.709 |
0 |
0 |
0 |
0.025 |
64 |
79 |
|
27A |
1 |
1 |
17576 |
◊ |
49C |
x-1,y,z |
1_455 |
2 |
1 |
17746 |
15.6 |
-0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
65 |
80 |
|
17D |
1 |
1 |
17738 |
◊ |
34E |
x-1,y,z |
1_455 |
1 |
1 |
17724 |
15.3 |
0.3 |
0.422 |
0 |
0 |
0 |
0.000 |
66 |
81 |
|
47F |
2 |
2 |
17598 |
◊ |
40E |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
17724 |
14.8 |
0.3 |
0.735 |
0 |
0 |
0 |
0.000 |
67 |
82 |
|
2A |
3 |
2 |
17576 |
◊ |
10G |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
17329 |
12.0 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
68 |
83 |
|
2A |
2 |
2 |
17576 |
◊ |
6G |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
2 |
17329 |
11.8 |
0.5 |
0.812 |
0 |
0 |
0 |
0.000 |
69 |
84 |
|
F |
3 |
1 |
17598 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17746 |
10.8 |
0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
70 |
85 |
|
11G |
2 |
2 |
17329 |
◊ |
18G |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17329 |
10.6 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
71 |
86 |
|
11A |
1 |
1 |
17576 |
◊ |
18B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
17755 |
10.2 |
0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
72 |
87 |
|
47A |
2 |
2 |
17576 |
◊ |
40D |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
17738 |
10.0 |
0.5 |
0.829 |
0 |
0 |
0 |
0.000 |
73 |
88 |
|
52C |
2 |
1 |
17746 |
◊ |
4D |
x-1,y,z |
1_455 |
2 |
1 |
17738 |
7.6 |
0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
74 |
89 |
|
27D |
1 |
1 |
17738 |
◊ |
49D |
x-1,y,z |
1_455 |
1 |
1 |
17738 |
6.5 |
0.2 |
0.784 |
0 |
0 |
0 |
0.000 |
75 |
90 |
|
11E |
1 |
1 |
17724 |
◊ |
18C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17746 |
6.4 |
0.3 |
0.823 |
0 |
0 |
0 |
0.000 |
76 |
91 |
|
27C |
1 |
1 |
17746 |
◊ |
49F |
x-1,y,z |
1_455 |
2 |
1 |
17598 |
6.1 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
77 |
92 |
|
41B |
1 |
1 |
17755 |
◊ |
10D |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
17738 |
2.0 |
0.0 |
0.697 |
0 |
0 |
0 |
0.000 |
78 |
93 |
|
30E |
1 |
1 |
17724 |
◊ |
24D |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
17738 |
0.7 |
0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
79 |
94 |
|
47D |
1 |
1 |
17738 |
◊ |
31F |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
17598 |
0.3 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
|