## |
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 |
66 |
16 |
7802 |
x |
D |
-y+1,x-y,z |
2_655 |
70 |
24 |
7802 |
674.5 |
-6.9 |
0.183 |
16 |
1 |
1 |
0.333 |
2 |
|
E |
65 |
16 |
7753 |
x |
E |
-y+1,x-y-1,z |
2_645 |
70 |
24 |
7753 |
674.1 |
-7.0 |
0.178 |
17 |
1 |
1 |
0.333 |
3 |
|
C |
70 |
24 |
7848 |
x |
C |
-y,x-y,z |
2_555 |
66 |
16 |
7848 |
668.8 |
-7.2 |
0.173 |
15 |
1 |
1 |
0.333 |
4 |
|
B |
71 |
24 |
7747 |
x |
B |
-y+1,x-y+1,z |
2_665 |
65 |
16 |
7747 |
668.4 |
-7.1 |
0.173 |
17 |
1 |
1 |
0.333 |
5 |
|
A |
70 |
24 |
7844 |
x |
A |
-y+1,x-y,z |
2_655 |
65 |
16 |
7844 |
668.2 |
-7.2 |
0.180 |
17 |
1 |
1 |
0.333 |
6 |
|
F |
63 |
16 |
7979 |
x |
F |
-y+2,x-y,z |
2_755 |
72 |
24 |
7979 |
665.6 |
-7.0 |
0.184 |
16 |
1 |
1 |
0.333 |
Average: |
669.9 |
-7.1 |
0.178 |
16 |
1 |
1 |
0.333 |
2 |
7 |
|
B |
41 |
13 |
7747 |
◊ |
F |
-y+1,x-y,z-1 |
2_654 |
36 |
12 |
7979 |
355.1 |
-3.4 |
0.311 |
6 |
0 |
0 |
0.070 |
8 |
|
D |
39 |
12 |
7802 |
◊ |
A |
-y+1,x-y,z+1 |
2_656 |
35 |
12 |
7844 |
353.5 |
-3.4 |
0.300 |
6 |
0 |
0 |
0.070 |
9 |
|
C |
36 |
13 |
7848 |
◊ |
E |
x-1,y,z-1 |
1_454 |
38 |
12 |
7753 |
349.0 |
-3.2 |
0.309 |
6 |
0 |
0 |
0.070 |
Average: |
352.5 |
-3.3 |
0.307 |
6 |
0 |
0 |
0.070 |
3 |
10 |
|
A |
34 |
10 |
7844 |
◊ |
D |
-y+1,x-y,z |
2_655 |
32 |
10 |
7802 |
307.4 |
4.9 |
0.941 |
11 |
3 |
0 |
0.000 |
11 |
|
E |
33 |
10 |
7753 |
◊ |
C |
-y+1,x-y,z |
2_655 |
34 |
10 |
7848 |
307.1 |
5.0 |
0.941 |
10 |
3 |
0 |
0.000 |
12 |
|
B |
33 |
10 |
7747 |
◊ |
F |
x-1,y,z |
1_455 |
31 |
10 |
7979 |
299.2 |
4.4 |
0.928 |
9 |
2 |
0 |
0.000 |
Average: |
304.5 |
4.8 |
0.937 |
10 |
3 |
0 |
0.000 |
4 |
13 |
|
[CL8]B:1141 |
21 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
28 |
12 |
7747 |
244.3 |
-15.3 |
0.195 |
0 |
0 |
0 |
0.358 |
14 |
|
[CL8]E:1141 |
20 |
1 |
556 |
f |
E |
x,y,z |
1_555 |
29 |
12 |
7753 |
243.7 |
-15.3 |
0.195 |
0 |
0 |
0 |
0.358 |
15 |
|
[CL8]F:1142 |
20 |
1 |
553 |
f |
F |
x,y,z |
1_555 |
29 |
12 |
7979 |
243.1 |
-15.1 |
0.203 |
0 |
0 |
0 |
0.358 |
16 |
|
[CL8]A:1141 |
20 |
1 |
550 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
7844 |
243.1 |
-15.3 |
0.197 |
0 |
0 |
0 |
0.358 |
17 |
|
[CL8]D:1141 |
20 |
1 |
548 |
f |
D |
x,y,z |
1_555 |
28 |
12 |
7802 |
242.3 |
-15.2 |
0.186 |
0 |
0 |
0 |
0.358 |
18 |
|
[CL8]C:1141 |
21 |
1 |
553 |
f |
C |
x,y,z |
1_555 |
28 |
12 |
7848 |
240.4 |
-15.3 |
0.203 |
0 |
0 |
0 |
0.358 |
Average: |
242.8 |
-15.3 |
0.196 |
0 |
0 |
0 |
0.358 |
5 |
19 |
|
F |
22 |
7 |
7979 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
7802 |
234.8 |
-0.2 |
0.559 |
2 |
0 |
0 |
0.000 |
6 |
20 |
|
B |
18 |
6 |
7747 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
7844 |
184.1 |
-1.5 |
0.381 |
3 |
0 |
0 |
0.000 |
7 |
21 |
|
F |
19 |
6 |
7979 |
◊ |
E |
x,y,z |
1_555 |
22 |
7 |
7753 |
183.9 |
-1.6 |
0.395 |
3 |
0 |
0 |
0.000 |
8 |
22 |
|
E |
18 |
6 |
7753 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
7802 |
174.7 |
-0.9 |
0.479 |
1 |
0 |
0 |
0.000 |
9 |
23 |
|
C |
14 |
5 |
7848 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
7844 |
162.2 |
0.5 |
0.685 |
2 |
0 |
0 |
0.000 |
10 |
24 |
|
C |
22 |
9 |
7848 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
7747 |
150.1 |
0.1 |
0.580 |
2 |
0 |
0 |
0.000 |
11 |
25 |
|
[EDO]A:1143 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
7844 |
95.5 |
3.3 |
0.481 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]E:1143 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
8 |
7753 |
95.4 |
3.4 |
0.491 |
2 |
0 |
0 |
0.000 |
27 |
|
[EDO]C:1143 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
7848 |
95.2 |
3.3 |
0.480 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]F:1144 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
11 |
8 |
7979 |
94.4 |
3.3 |
0.486 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]D:1143 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
7802 |
94.4 |
3.3 |
0.485 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:1143 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
7747 |
94.2 |
3.3 |
0.482 |
1 |
0 |
0 |
0.000 |
Average: |
94.8 |
3.3 |
0.484 |
1 |
0 |
0 |
0.000 |
12 |
31 |
|
A |
9 |
4 |
7844 |
◊ |
[CL8]D:1141 |
-y+1,x-y,z-1 |
2_654 |
12 |
1 |
548 |
87.7 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
32 |
|
[CL8]A:1141 |
11 |
1 |
550 |
◊ |
D |
-y+1,x-y,z-1 |
2_654 |
9 |
4 |
7802 |
87.1 |
0.0 |
0.769 |
0 |
0 |
0 |
0.000 |
33 |
|
[CL8]B:1141 |
10 |
1 |
553 |
◊ |
F |
x-1,y,z-1 |
1_454 |
9 |
4 |
7979 |
86.4 |
-0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
9 |
4 |
7747 |
◊ |
[CL8]F:1142 |
x-1,y,z-1 |
1_454 |
11 |
1 |
553 |
85.8 |
0.1 |
0.754 |
0 |
0 |
0 |
0.000 |
35 |
|
E |
8 |
4 |
7753 |
◊ |
[CL8]C:1141 |
-y+1,x-y,z+1 |
2_656 |
10 |
1 |
553 |
85.2 |
0.1 |
0.772 |
0 |
0 |
0 |
0.000 |
36 |
|
[CL8]E:1141 |
11 |
1 |
556 |
◊ |
C |
-y+1,x-y,z+1 |
2_656 |
9 |
4 |
7848 |
84.5 |
0.2 |
0.758 |
0 |
0 |
0 |
0.000 |
Average: |
86.1 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
13 |
37 |
|
[EDO]F:1143 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
12 |
6 |
7979 |
75.4 |
2.1 |
0.267 |
3 |
0 |
0 |
0.000 |
38 |
|
[EDO]E:1142 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
11 |
6 |
7753 |
73.8 |
2.0 |
0.261 |
3 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:1142 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
7844 |
73.7 |
2.0 |
0.264 |
3 |
0 |
0 |
0.000 |
40 |
|
[EDO]C:1142 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
7848 |
73.5 |
2.0 |
0.261 |
3 |
0 |
0 |
0.000 |
41 |
|
[EDO]B:1142 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
7747 |
72.8 |
2.0 |
0.260 |
3 |
0 |
0 |
0.000 |
42 |
|
[EDO]D:1142 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
7802 |
72.6 |
2.0 |
0.261 |
3 |
0 |
0 |
0.000 |
Average: |
73.6 |
2.0 |
0.262 |
3 |
0 |
0 |
0.000 |
14 |
43 |
|
D |
14 |
6 |
7802 |
f |
[EDO]D:1142 |
-y+1,x-y,z |
2_655 |
4 |
1 |
184 |
73.9 |
1.3 |
0.229 |
2 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:1142 |
4 |
1 |
184 |
f |
A |
-y+1,x-y,z |
2_655 |
13 |
6 |
7844 |
73.7 |
1.3 |
0.226 |
2 |
0 |
0 |
0.000 |
45 |
|
[EDO]C:1142 |
4 |
1 |
185 |
f |
C |
-y,x-y,z |
2_555 |
12 |
6 |
7848 |
73.2 |
1.3 |
0.222 |
1 |
0 |
0 |
0.000 |
46 |
|
[EDO]B:1142 |
4 |
1 |
183 |
f |
B |
-y+1,x-y+1,z |
2_665 |
13 |
6 |
7747 |
72.4 |
1.3 |
0.227 |
2 |
0 |
0 |
0.000 |
47 |
|
F |
14 |
6 |
7979 |
f |
[EDO]F:1143 |
-y+2,x-y,z |
2_755 |
4 |
1 |
184 |
72.2 |
1.2 |
0.229 |
1 |
0 |
0 |
0.000 |
Average: |
73.1 |
1.3 |
0.227 |
2 |
0 |
0 |
0.000 |
15 |
48 |
|
E |
14 |
6 |
7753 |
f |
[EDO]E:1142 |
-y+1,x-y-1,z |
2_645 |
4 |
1 |
184 |
73.2 |
1.3 |
0.229 |
1 |
0 |
0 |
0.000 |
16 |
49 |
|
[SO4]C:1140 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
7848 |
72.4 |
-10.3 |
0.571 |
2 |
0 |
0 |
0.201 |
50 |
|
[SO4]D:1140 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
7802 |
71.2 |
-10.2 |
0.564 |
1 |
0 |
0 |
0.201 |
Average: |
71.8 |
-10.3 |
0.568 |
2 |
0 |
0 |
0.201 |
17 |
51 |
|
[SO4]F:1141 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
7979 |
71.9 |
-10.3 |
0.575 |
2 |
0 |
0 |
0.200 |
18 |
52 |
|
[SO4]E:1140 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
7753 |
70.6 |
-10.0 |
0.574 |
2 |
0 |
0 |
0.192 |
53 |
|
[SO4]A:1140 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
7844 |
70.6 |
-9.9 |
0.555 |
2 |
0 |
0 |
0.192 |
Average: |
70.6 |
-10.0 |
0.564 |
2 |
0 |
0 |
0.192 |
19 |
54 |
|
[SO4]B:1140 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
7747 |
70.6 |
-10.0 |
0.587 |
2 |
0 |
0 |
0.191 |
20 |
55 |
|
[SO4]D:1140 |
4 |
1 |
186 |
◊ |
A |
-y+1,x-y,z+1 |
2_656 |
9 |
3 |
7844 |
63.4 |
-8.4 |
0.726 |
2 |
0 |
0 |
0.108 |
21 |
56 |
|
[SO4]B:1140 |
4 |
1 |
187 |
◊ |
F |
-y+1,x-y,z-1 |
2_654 |
10 |
3 |
7979 |
62.8 |
-8.3 |
0.720 |
3 |
0 |
0 |
0.161 |
57 |
|
C |
9 |
3 |
7848 |
◊ |
[SO4]E:1140 |
x-1,y,z-1 |
1_454 |
5 |
1 |
185 |
61.0 |
-8.1 |
0.727 |
1 |
0 |
0 |
0.161 |
58 |
|
[SO4]C:1140 |
4 |
1 |
186 |
◊ |
E |
x-1,y,z-1 |
1_454 |
7 |
2 |
7753 |
40.3 |
-5.1 |
0.713 |
0 |
0 |
0 |
0.161 |
Average: |
54.7 |
-7.2 |
0.720 |
1 |
0 |
0 |
0.161 |
22 |
59 |
|
[SO4]A:1139 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7844 |
60.4 |
-8.1 |
0.681 |
1 |
0 |
0 |
0.198 |
60 |
|
[SO4]F:1140 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
7979 |
59.8 |
-8.1 |
0.677 |
1 |
0 |
0 |
0.198 |
61 |
|
[SO4]E:1139 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
7753 |
59.5 |
-8.1 |
0.706 |
1 |
0 |
0 |
0.198 |
62 |
|
[SO4]D:1139 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
7802 |
59.4 |
-8.0 |
0.690 |
1 |
0 |
0 |
0.198 |
63 |
|
[SO4]C:1139 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
7848 |
59.3 |
-7.9 |
0.694 |
1 |
0 |
0 |
0.198 |
64 |
|
[SO4]B:1139 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7747 |
59.2 |
-8.0 |
0.684 |
1 |
0 |
0 |
0.198 |
Average: |
59.6 |
-8.0 |
0.689 |
1 |
0 |
0 |
0.198 |
23 |
65 |
|
[SO4]E:1139 |
4 |
1 |
187 |
◊ |
E |
-y+1,x-y-1,z |
2_645 |
6 |
3 |
7753 |
52.7 |
-6.9 |
0.790 |
1 |
0 |
0 |
0.131 |
66 |
|
[SO4]D:1139 |
5 |
1 |
186 |
◊ |
D |
-y+1,x-y,z |
2_655 |
5 |
3 |
7802 |
52.4 |
-6.9 |
0.801 |
1 |
0 |
0 |
0.131 |
67 |
|
C |
7 |
3 |
7848 |
◊ |
[SO4]C:1139 |
-y,x-y,z |
2_555 |
5 |
1 |
186 |
52.3 |
-6.8 |
0.792 |
1 |
0 |
0 |
0.131 |
68 |
|
B |
6 |
3 |
7747 |
◊ |
[SO4]B:1139 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
185 |
51.6 |
-6.8 |
0.805 |
1 |
0 |
0 |
0.131 |
69 |
|
A |
6 |
3 |
7844 |
◊ |
[SO4]A:1139 |
-y+1,x-y,z |
2_655 |
4 |
1 |
187 |
51.4 |
-6.7 |
0.800 |
1 |
0 |
0 |
0.131 |
70 |
|
[SO4]F:1140 |
4 |
1 |
187 |
◊ |
F |
-y+2,x-y,z |
2_755 |
6 |
3 |
7979 |
50.3 |
-6.7 |
0.791 |
1 |
0 |
0 |
0.131 |
Average: |
51.8 |
-6.8 |
0.797 |
1 |
0 |
0 |
0.131 |
24 |
71 |
|
D |
3 |
2 |
7802 |
◊ |
[CL8]A:1141 |
-y+1,x-y,z+1 |
2_656 |
4 |
1 |
550 |
47.0 |
-1.7 |
0.216 |
0 |
0 |
0 |
0.040 |
72 |
|
C |
3 |
2 |
7848 |
◊ |
[CL8]E:1141 |
x-1,y,z-1 |
1_454 |
4 |
1 |
556 |
46.4 |
-1.7 |
0.215 |
0 |
0 |
0 |
0.040 |
73 |
|
B |
3 |
2 |
7747 |
◊ |
[CL8]F:1142 |
-y+1,x-y,z-1 |
2_654 |
4 |
1 |
553 |
46.0 |
-1.7 |
0.220 |
0 |
0 |
0 |
0.040 |
74 |
|
[CL8]C:1141 |
4 |
1 |
553 |
◊ |
E |
x-1,y,z-1 |
1_454 |
3 |
2 |
7753 |
45.7 |
-1.6 |
0.220 |
0 |
0 |
0 |
0.040 |
75 |
|
[CL8]D:1141 |
4 |
1 |
548 |
◊ |
A |
-y+1,x-y,z+1 |
2_656 |
3 |
2 |
7844 |
45.1 |
-1.6 |
0.230 |
0 |
0 |
0 |
0.040 |
76 |
|
[CL8]B:1141 |
4 |
1 |
553 |
◊ |
F |
-y+1,x-y,z-1 |
2_654 |
3 |
2 |
7979 |
41.9 |
-1.4 |
0.250 |
0 |
0 |
0 |
0.040 |
Average: |
45.4 |
-1.6 |
0.225 |
0 |
0 |
0 |
0.040 |
25 |
77 |
|
D |
7 |
2 |
7802 |
◊ |
[SO4]A:1140 |
-y+1,x-y,z+1 |
2_656 |
4 |
1 |
186 |
43.0 |
-5.5 |
0.706 |
0 |
0 |
0 |
0.064 |
26 |
78 |
|
B |
7 |
2 |
7747 |
◊ |
[SO4]F:1141 |
-y+1,x-y,z-1 |
2_654 |
4 |
1 |
187 |
35.6 |
-4.8 |
0.739 |
0 |
0 |
0 |
0.056 |
27 |
79 |
|
A |
6 |
4 |
7844 |
◊ |
D |
-y+1,x-y,z-1 |
2_654 |
5 |
4 |
7802 |
32.1 |
-1.0 |
0.272 |
0 |
0 |
0 |
0.007 |
80 |
|
B |
5 |
4 |
7747 |
◊ |
F |
x-1,y,z-1 |
1_454 |
5 |
4 |
7979 |
30.0 |
-1.0 |
0.271 |
0 |
0 |
0 |
0.007 |
81 |
|
E |
5 |
4 |
7753 |
◊ |
C |
-y+1,x-y,z+1 |
2_656 |
6 |
4 |
7848 |
29.6 |
-0.9 |
0.290 |
0 |
0 |
0 |
0.007 |
Average: |
30.5 |
-1.0 |
0.278 |
0 |
0 |
0 |
0.007 |
|