## |
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 |
|
E |
111 |
34 |
7654 |
◊ |
D |
x,y,z |
1_555 |
112 |
33 |
7890 |
992.7 |
-8.0 |
0.380 |
17 |
6 |
0 |
0.259 |
2 |
|
C |
107 |
30 |
7883 |
◊ |
A |
x,y,z |
1_555 |
106 |
33 |
8038 |
982.0 |
-9.7 |
0.290 |
14 |
5 |
0 |
0.259 |
3 |
|
F |
114 |
32 |
7757 |
◊ |
D |
x,y,z |
1_555 |
104 |
32 |
7890 |
949.6 |
-7.1 |
0.470 |
13 |
6 |
0 |
0.259 |
4 |
|
B |
96 |
30 |
7891 |
◊ |
A |
x,y,z |
1_555 |
107 |
33 |
8038 |
898.1 |
-6.7 |
0.407 |
14 |
5 |
0 |
0.259 |
5 |
|
C |
93 |
31 |
7883 |
◊ |
B |
x,y,z |
1_555 |
103 |
31 |
7891 |
884.5 |
-8.3 |
0.298 |
12 |
3 |
0 |
0.259 |
6 |
|
F |
89 |
26 |
7757 |
◊ |
E |
x,y,z |
1_555 |
97 |
27 |
7654 |
788.5 |
-7.8 |
0.308 |
9 |
2 |
0 |
0.259 |
Average: |
915.9 |
-7.9 |
0.359 |
13 |
5 |
0 |
0.259 |
2 |
7 |
|
E |
37 |
12 |
7654 |
x |
E |
-x+2,y-1/2,-z |
2_745 |
38 |
11 |
7654 |
350.3 |
-2.8 |
0.448 |
2 |
0 |
0 |
0.000 |
3 |
8 |
|
F |
37 |
10 |
7757 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
39 |
10 |
7890 |
324.1 |
-3.1 |
0.424 |
2 |
0 |
0 |
0.000 |
9 |
|
C |
38 |
10 |
7883 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
9 |
7891 |
314.2 |
-3.0 |
0.404 |
2 |
0 |
0 |
0.000 |
Average: |
319.1 |
-3.1 |
0.414 |
2 |
0 |
0 |
0.000 |
4 |
10 |
|
C |
36 |
11 |
7883 |
◊ |
B |
x,y-1,z |
1_545 |
28 |
9 |
7891 |
315.0 |
-0.4 |
0.508 |
1 |
2 |
0 |
0.000 |
11 |
|
F |
25 |
9 |
7757 |
◊ |
D |
x,y-1,z |
1_545 |
35 |
10 |
7890 |
276.6 |
-1.3 |
0.306 |
2 |
2 |
0 |
0.000 |
Average: |
295.8 |
-0.8 |
0.407 |
2 |
2 |
0 |
0.000 |
5 |
12 |
|
A |
39 |
9 |
8038 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
36 |
9 |
8038 |
309.1 |
-3.8 |
0.307 |
3 |
0 |
0 |
0.000 |
6 |
13 |
|
[CAR]D:900 |
21 |
1 |
455 |
f |
D |
x,y,z |
1_555 |
32 |
11 |
7890 |
230.8 |
-0.8 |
0.709 |
8 |
0 |
0 |
0.092 |
14 |
|
[CAR]B:900 |
18 |
1 |
455 |
f |
B |
x,y,z |
1_555 |
32 |
11 |
7891 |
230.2 |
-1.5 |
0.634 |
8 |
0 |
0 |
0.092 |
15 |
|
[CAR]C:900 |
18 |
1 |
457 |
f |
C |
x,y,z |
1_555 |
32 |
12 |
7883 |
229.2 |
-1.6 |
0.627 |
9 |
0 |
0 |
0.092 |
16 |
|
[CAR]E:900 |
19 |
1 |
451 |
f |
E |
x,y,z |
1_555 |
34 |
12 |
7654 |
226.1 |
-1.8 |
0.616 |
8 |
0 |
0 |
0.092 |
17 |
|
[CAR]A:900 |
18 |
1 |
455 |
f |
A |
x,y,z |
1_555 |
34 |
12 |
8038 |
223.6 |
-1.6 |
0.624 |
8 |
0 |
0 |
0.092 |
Average: |
228.0 |
-1.5 |
0.642 |
8 |
0 |
0 |
0.092 |
7 |
18 |
|
D |
23 |
8 |
7890 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
7891 |
208.8 |
-0.3 |
0.668 |
3 |
2 |
0 |
0.000 |
19 |
|
E |
23 |
7 |
7654 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
8038 |
196.1 |
1.0 |
0.779 |
2 |
2 |
0 |
0.000 |
Average: |
202.4 |
0.4 |
0.723 |
3 |
2 |
0 |
0.000 |
8 |
20 |
|
[GPP]B:901 |
18 |
1 |
518 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
7891 |
179.7 |
1.2 |
0.544 |
3 |
0 |
0 |
0.009 |
21 |
|
[GPP]F:902 |
17 |
1 |
506 |
◊ |
F |
x,y,z |
1_555 |
25 |
9 |
7757 |
171.2 |
0.3 |
0.527 |
4 |
0 |
0 |
0.009 |
Average: |
175.4 |
0.8 |
0.536 |
4 |
0 |
0 |
0.009 |
9 |
22 |
|
[GPP]F:902 |
17 |
1 |
506 |
◊ |
E |
x,y,z |
1_555 |
18 |
8 |
7654 |
152.2 |
-1.1 |
0.425 |
4 |
0 |
0 |
0.025 |
23 |
|
[GPP]B:901 |
15 |
1 |
518 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
8038 |
134.2 |
-2.4 |
0.367 |
4 |
0 |
0 |
0.025 |
Average: |
143.2 |
-1.8 |
0.396 |
4 |
0 |
0 |
0.025 |
10 |
24 |
|
[GPP]B:901 |
13 |
1 |
518 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
7883 |
139.0 |
-2.0 |
0.416 |
4 |
0 |
0 |
0.040 |
25 |
|
[GPP]F:902 |
14 |
1 |
506 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
7890 |
128.6 |
-2.7 |
0.384 |
5 |
0 |
0 |
0.040 |
Average: |
133.8 |
-2.4 |
0.400 |
5 |
0 |
0 |
0.040 |
11 |
26 |
|
F |
13 |
2 |
7757 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
8038 |
108.5 |
0.1 |
0.620 |
1 |
0 |
0 |
0.000 |
27 |
|
D |
12 |
4 |
7890 |
◊ |
C |
x,y,z |
1_555 |
12 |
2 |
7883 |
108.1 |
-0.8 |
0.445 |
0 |
0 |
0 |
0.000 |
Average: |
108.3 |
-0.3 |
0.533 |
1 |
0 |
0 |
0.000 |
12 |
28 |
|
[SO4]E:801 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
7654 |
104.9 |
-18.1 |
0.661 |
3 |
0 |
0 |
0.118 |
13 |
29 |
|
[SO4]B:801 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
7891 |
99.0 |
-14.2 |
0.824 |
3 |
0 |
0 |
0.090 |
14 |
30 |
|
[CAR]E:900 |
7 |
1 |
451 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
7890 |
76.4 |
-1.4 |
0.549 |
0 |
0 |
0 |
0.031 |
31 |
|
[CAR]A:900 |
8 |
1 |
455 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
7883 |
74.3 |
-1.8 |
0.516 |
0 |
0 |
0 |
0.031 |
32 |
|
[CAR]B:900 |
8 |
1 |
455 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
8038 |
70.4 |
-2.2 |
0.492 |
0 |
0 |
0 |
0.031 |
33 |
|
[CAR]D:900 |
8 |
1 |
455 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
7757 |
67.7 |
-1.4 |
0.585 |
0 |
0 |
0 |
0.031 |
34 |
|
[CAR]C:900 |
6 |
1 |
457 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
7891 |
50.3 |
-1.4 |
0.541 |
0 |
0 |
0 |
0.031 |
Average: |
67.8 |
-1.6 |
0.537 |
0 |
0 |
0 |
0.031 |
15 |
35 |
|
D |
8 |
2 |
7890 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
8038 |
58.6 |
0.9 |
0.831 |
2 |
2 |
0 |
0.000 |
16 |
36 |
|
C |
8 |
3 |
7883 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
3 |
8038 |
53.7 |
-1.1 |
0.402 |
0 |
0 |
0 |
0.000 |
37 |
|
E |
3 |
1 |
7654 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
7890 |
43.0 |
-1.0 |
0.183 |
0 |
0 |
0 |
0.000 |
Average: |
48.4 |
-1.1 |
0.292 |
0 |
0 |
0 |
0.000 |
17 |
38 |
|
[ZN]A:800 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
8038 |
51.7 |
-37.1 |
0.000 |
0 |
0 |
0 |
0.403 |
39 |
|
[ZN]D:800 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
7890 |
50.4 |
-35.8 |
0.000 |
0 |
0 |
0 |
0.403 |
40 |
|
[ZN]B:800 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
7891 |
43.9 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.403 |
41 |
|
[ZN]E:800 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
7654 |
41.2 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.403 |
Average: |
46.8 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.403 |
18 |
42 |
|
F |
4 |
2 |
7757 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
7883 |
44.6 |
-0.5 |
0.363 |
0 |
0 |
0 |
0.000 |
19 |
43 |
|
[GPP]B:901 |
4 |
1 |
518 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
7890 |
27.7 |
-1.4 |
0.362 |
0 |
0 |
0 |
0.000 |
20 |
44 |
|
[GPP]F:902 |
4 |
1 |
506 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8038 |
25.2 |
-1.4 |
0.381 |
0 |
0 |
0 |
0.000 |
21 |
45 |
|
[SO4]E:801 |
2 |
1 |
185 |
f |
[ZN]E:800 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.068 |
22 |
46 |
|
[SO4]B:801 |
1 |
1 |
186 |
f |
[ZN]B:800 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.060 |
23 |
47 |
|
[SO4]B:801 |
4 |
1 |
186 |
◊ |
[CAR]C:900 |
x,y,z |
1_555 |
2 |
1 |
457 |
13.4 |
-2.0 |
0.604 |
0 |
0 |
0 |
0.012 |
24 |
48 |
|
E |
2 |
2 |
7654 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
7890 |
10.1 |
0.4 |
0.809 |
0 |
0 |
0 |
0.000 |
25 |
49 |
|
[SO4]B:801 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7883 |
8.5 |
-0.9 |
0.764 |
0 |
0 |
0 |
0.005 |
26 |
50 |
|
[CAR]E:900 |
1 |
1 |
451 |
◊ |
[ZN]D:800 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.022 |
51 |
|
[CAR]B:900 |
1 |
1 |
455 |
◊ |
[ZN]A:800 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
5.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.022 |
27 |
52 |
|
[SO4]E:801 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
7757 |
1.7 |
-0.2 |
0.808 |
0 |
0 |
0 |
0.001 |
|