| ## |
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 |
|
C |
112 |
30 |
6771 |
◊ |
A |
x,y,z |
1_555 |
130 |
32 |
6741 |
1172.9 |
-9.6 |
0.284 |
26 |
15 |
0 |
0.387 |
2 |
|
B |
130 |
31 |
6740 |
◊ |
A |
x,y,z |
1_555 |
113 |
31 |
6741 |
1157.4 |
-9.7 |
0.309 |
25 |
14 |
0 |
0.387 |
3 |
|
C |
130 |
32 |
6771 |
◊ |
B |
x,y,z |
1_555 |
107 |
30 |
6740 |
1155.5 |
-9.6 |
0.264 |
22 |
11 |
0 |
0.387 |
| Average: |
1161.9 |
-9.6 |
0.286 |
24 |
13 |
0 |
0.387 |
| 2 |
4 |
|
[FUN]C:203 |
21 |
1 |
472 |
f |
C |
x,y,z |
1_555 |
42 |
15 |
6771 |
299.3 |
-2.9 |
0.319 |
4 |
0 |
0 |
0.094 |
5 |
|
[FUN]A:201 |
20 |
1 |
468 |
f |
A |
x,y,z |
1_555 |
41 |
15 |
6741 |
298.9 |
-3.1 |
0.362 |
4 |
0 |
0 |
0.094 |
6 |
|
[FUN]B:202 |
20 |
1 |
469 |
f |
B |
x,y,z |
1_555 |
36 |
14 |
6740 |
298.1 |
-3.2 |
0.311 |
4 |
0 |
0 |
0.094 |
| Average: |
298.8 |
-3.1 |
0.331 |
4 |
0 |
0 |
0.094 |
| 3 |
7 |
|
C |
28 |
10 |
6771 |
◊ |
C |
-x,-x+y,-z+1/3 |
6_555 |
27 |
10 |
6771 |
229.3 |
0.4 |
0.718 |
6 |
2 |
0 |
0.014 |
| 4 |
8 |
|
B |
19 |
6 |
6740 |
◊ |
C |
y-1,x,-z |
4_455 |
18 |
6 |
6771 |
138.6 |
0.4 |
0.633 |
2 |
4 |
0 |
0.011 |
| 5 |
9 |
|
A |
17 |
6 |
6741 |
◊ |
A |
y-1,x+1,-z |
4_465 |
17 |
6 |
6741 |
120.9 |
1.5 |
0.821 |
2 |
2 |
0 |
0.000 |
| 6 |
10 |
|
A |
16 |
7 |
6741 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
8 |
3 |
6740 |
111.2 |
1.4 |
0.831 |
3 |
1 |
0 |
0.000 |
| 7 |
11 |
|
[IMD]C:117 |
5 |
1 |
197 |
◊ |
[IMD]C:117 |
-x,-x+y,-z+1/3 |
6_555 |
5 |
1 |
197 |
77.4 |
4.0 |
0.034 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[ACT]A:121 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6741 |
69.8 |
-0.7 |
0.643 |
0 |
0 |
0 |
0.007 |
| 9 |
13 |
|
[ACT]B:123 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
6740 |
69.1 |
-0.6 |
0.636 |
0 |
0 |
0 |
0.006 |
| 10 |
14 |
|
[ACT]C:121 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
6771 |
68.8 |
-0.6 |
0.616 |
1 |
0 |
0 |
0.012 |
| 11 |
15 |
|
[ACT]C:122 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
6771 |
68.7 |
-0.5 |
0.636 |
0 |
0 |
0 |
0.006 |
| 12 |
16 |
|
[FUN]C:203 |
6 |
1 |
472 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6740 |
67.2 |
2.4 |
0.584 |
0 |
0 |
0 |
0.000 |
17 |
|
[FUN]B:202 |
6 |
1 |
469 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6741 |
66.9 |
2.5 |
0.603 |
0 |
0 |
0 |
0.000 |
18 |
|
[FUN]A:201 |
6 |
1 |
468 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6771 |
66.8 |
2.4 |
0.585 |
0 |
0 |
0 |
0.000 |
| Average: |
67.0 |
2.4 |
0.590 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[IMD]C:118 |
5 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
6771 |
65.5 |
1.5 |
0.100 |
0 |
0 |
0 |
0.000 |
20 |
|
[IMD]A:117 |
5 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6741 |
65.1 |
1.5 |
0.115 |
0 |
0 |
0 |
0.000 |
| Average: |
65.3 |
1.5 |
0.108 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[IMD]B:118 |
4 |
1 |
199 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
6740 |
65.4 |
1.9 |
0.208 |
1 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[IMD]B:117 |
5 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
6740 |
61.9 |
1.5 |
0.142 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[ACT]B:122 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
6740 |
61.2 |
-0.2 |
0.701 |
0 |
0 |
0 |
0.002 |
24 |
|
[ACT]A:120 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6741 |
58.0 |
-0.1 |
0.636 |
0 |
0 |
0 |
0.002 |
| Average: |
59.6 |
-0.2 |
0.669 |
0 |
0 |
0 |
0.002 |
| 17 |
25 |
|
[ACT]A:120 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
6771 |
58.2 |
-0.1 |
0.623 |
1 |
0 |
0 |
0.008 |
26 |
|
[ACT]B:122 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
6741 |
58.2 |
-0.0 |
0.681 |
1 |
0 |
0 |
0.008 |
27 |
|
[ACT]B:121 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
6740 |
54.7 |
-0.0 |
0.682 |
1 |
0 |
0 |
0.008 |
| Average: |
57.0 |
-0.0 |
0.662 |
1 |
0 |
0 |
0.008 |
| 18 |
28 |
|
[ACT]B:121 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
6771 |
55.9 |
-0.2 |
0.683 |
0 |
0 |
0 |
0.002 |
| 19 |
29 |
|
[IMD]C:117 |
5 |
1 |
197 |
◊ |
C |
-x,-x+y,-z+1/3 |
6_555 |
6 |
2 |
6771 |
53.6 |
1.7 |
0.090 |
1 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[ACT]C:121 |
4 |
1 |
181 |
◊ |
C |
-x,-x+y,-z+1/3 |
6_555 |
12 |
6 |
6771 |
52.7 |
-0.3 |
0.658 |
0 |
0 |
0 |
0.003 |
| 21 |
31 |
|
[IMD]C:117 |
3 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
6771 |
44.3 |
1.1 |
0.213 |
0 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[ZN]A:119 |
1 |
1 |
98 |
cx |
A |
x,y,z |
1_555 |
7 |
3 |
6741 |
41.7 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.485 |
33 |
|
[ZN]B:120 |
1 |
1 |
98 |
cx |
B |
x,y,z |
1_555 |
7 |
3 |
6740 |
36.0 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.485 |
34 |
|
[ZN]B:120 |
1 |
1 |
98 |
cx |
C |
y-1,x,-z |
4_455 |
7 |
3 |
6771 |
35.3 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.485 |
| Average: |
37.7 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.485 |
| 23 |
35 |
|
[ZN]A:119 |
1 |
1 |
98 |
f |
[ZN]A:119 |
y-1,x+1,-z |
4_465 |
1 |
1 |
98 |
38.0 |
-30.4 |
0.000 |
0 |
0 |
0 |
0.155 |
| 24 |
36 |
|
A |
5 |
2 |
6741 |
◊ |
[IMD]B:117 |
-y,x-y+1,z+1/3 |
2_565 |
4 |
1 |
197 |
37.0 |
0.8 |
0.108 |
0 |
0 |
0 |
0.000 |
| 25 |
37 |
|
[IMD]A:117 |
3 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6740 |
34.1 |
1.0 |
0.200 |
0 |
0 |
0 |
0.000 |
38 |
|
[IMD]C:118 |
2 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
6741 |
32.0 |
0.7 |
0.336 |
1 |
0 |
0 |
0.000 |
| Average: |
33.1 |
0.8 |
0.268 |
1 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[ACT]A:120 |
3 |
1 |
182 |
f |
[IMD]C:118 |
x,y,z |
1_555 |
2 |
1 |
198 |
32.1 |
1.0 |
0.343 |
1 |
0 |
0 |
0.000 |
40 |
|
[ACT]B:122 |
3 |
1 |
184 |
f |
[IMD]A:117 |
x,y,z |
1_555 |
2 |
1 |
197 |
31.0 |
0.9 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
31.6 |
0.9 |
0.358 |
1 |
0 |
0 |
0.000 |
| 27 |
41 |
|
[ZN]C:120 |
1 |
1 |
98 |
f |
[ZN]C:120 |
-x,-x+y,-z+1/3 |
6_555 |
1 |
1 |
98 |
31.3 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.135 |
| 28 |
42 |
|
[ACT]B:121 |
3 |
1 |
183 |
f |
[IMD]B:117 |
x,y,z |
1_555 |
2 |
1 |
197 |
29.6 |
0.8 |
0.374 |
0 |
0 |
0 |
0.000 |
| 29 |
43 |
|
[ZN]A:118 |
1 |
1 |
98 |
f |
[IMD]C:118 |
x,y,z |
1_555 |
3 |
1 |
198 |
28.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.184 |
44 |
|
[ZN]B:119 |
1 |
1 |
98 |
f |
[IMD]A:117 |
x,y,z |
1_555 |
3 |
1 |
197 |
28.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.184 |
45 |
|
[ZN]C:119 |
1 |
1 |
98 |
f |
[IMD]B:117 |
x,y,z |
1_555 |
3 |
1 |
197 |
24.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.184 |
| Average: |
27.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.184 |
| 30 |
46 |
|
A |
4 |
2 |
6741 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
4 |
2 |
6771 |
28.7 |
0.4 |
0.763 |
0 |
0 |
0 |
0.000 |
| 31 |
47 |
|
[ZN]C:120 |
1 |
1 |
98 |
x |
C |
x,y,z |
1_555 |
7 |
3 |
6771 |
28.4 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.338 |
| 32 |
48 |
|
[IMD]B:117 |
2 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
6771 |
28.4 |
0.8 |
0.345 |
1 |
0 |
0 |
0.000 |
| 33 |
49 |
|
[ACT]A:120 |
3 |
1 |
182 |
cfx |
[ZN]A:118 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.326 |
50 |
|
[ACT]B:122 |
3 |
1 |
184 |
fx |
[ZN]B:119 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.326 |
51 |
|
[ACT]C:121 |
3 |
1 |
181 |
fx |
[ZN]C:120 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.326 |
52 |
|
[ACT]B:121 |
3 |
1 |
183 |
fx |
[ZN]C:119 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.326 |
| Average: |
24.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.326 |
| 34 |
53 |
|
[ZN]B:119 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
6740 |
26.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.173 |
54 |
|
[ZN]A:118 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
6741 |
25.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.173 |
55 |
|
[ZN]C:119 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
3 |
1 |
6771 |
21.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.173 |
| Average: |
24.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.173 |
| 35 |
56 |
|
A |
3 |
1 |
6741 |
◊ |
[ZN]C:119 |
-y,x-y+1,z+1/3 |
2_565 |
1 |
1 |
98 |
24.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
57 |
|
[IMD]B:118 |
2 |
1 |
199 |
f |
A |
-y,x-y+1,z+1/3 |
2_565 |
5 |
3 |
6741 |
23.4 |
1.0 |
0.347 |
0 |
0 |
0 |
0.000 |
| 37 |
58 |
|
A |
2 |
1 |
6741 |
◊ |
[ACT]B:121 |
-y,x-y+1,z+1/3 |
2_565 |
3 |
1 |
183 |
22.9 |
0.4 |
0.777 |
0 |
0 |
0 |
0.000 |
| 38 |
59 |
|
[ACT]C:121 |
3 |
1 |
181 |
f |
[ACT]C:121 |
-x,-x+y,-z+1/3 |
6_555 |
3 |
1 |
181 |
21.0 |
0.3 |
0.875 |
0 |
0 |
0 |
0.000 |
| 39 |
60 |
|
[ZN]B:119 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6741 |
16.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.108 |
61 |
|
[ZN]A:118 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
6771 |
16.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.108 |
62 |
|
[ZN]C:119 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6740 |
14.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
16.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.108 |
| 40 |
63 |
|
B |
2 |
1 |
6740 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
3 |
1 |
6771 |
10.1 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
| 41 |
64 |
|
B |
3 |
1 |
6740 |
◊ |
[IMD]A:117 |
-y,x-y+1,z+1/3 |
2_565 |
3 |
1 |
197 |
8.9 |
0.3 |
0.143 |
0 |
0 |
0 |
0.000 |
| 42 |
65 |
|
B |
2 |
2 |
6740 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
1 |
1 |
6741 |
3.1 |
-0.0 |
0.511 |
0 |
0 |
0 |
0.000 |
| 43 |
66 |
|
A |
1 |
1 |
6741 |
◊ |
C |
y-1,x,-z |
4_455 |
3 |
1 |
6771 |
3.0 |
-0.1 |
0.493 |
0 |
0 |
0 |
0.000 |
| 44 |
67 |
|
B |
1 |
1 |
6740 |
x |
B |
-y,x-y+1,z+1/3 |
2_565 |
1 |
1 |
6740 |
1.8 |
0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
| 45 |
68 |
|
B |
1 |
1 |
6740 |
◊ |
[ZN]B:119 |
-y,x-y+1,z+1/3 |
2_565 |
1 |
1 |
98 |
1.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
69 |
|
B |
1 |
1 |
6740 |
x |
B |
y-1,x,-z |
4_455 |
1 |
1 |
6740 |
0.2 |
-0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
|