## |
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 |
|
B |
60 |
19 |
6580 |
◊ |
A |
x,y,z |
1_555 |
57 |
19 |
6495 |
469.4 |
-4.6 |
0.281 |
5 |
0 |
0 |
0.013 |
2 |
2 |
|
B |
47 |
14 |
6580 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
47 |
13 |
6495 |
418.6 |
-1.5 |
0.652 |
4 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
42 |
9 |
6495 |
◊ |
B |
x-y,x,z-5/6 |
6_554 |
40 |
9 |
6580 |
374.8 |
-0.0 |
0.766 |
5 |
2 |
0 |
0.005 |
4 |
4 |
|
B |
39 |
11 |
6580 |
x |
B |
x-y,x,z+1/6 |
6_555 |
32 |
12 |
6580 |
347.6 |
-3.3 |
0.398 |
4 |
4 |
0 |
0.000 |
5 |
|
A |
34 |
11 |
6495 |
x |
A |
x-y,x,z+1/6 |
6_555 |
35 |
10 |
6495 |
326.2 |
-3.7 |
0.361 |
4 |
1 |
0 |
0.000 |
Average: |
336.9 |
-3.5 |
0.380 |
4 |
3 |
0 |
0.000 |
5 |
6 |
|
A |
19 |
6 |
6495 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
20 |
6 |
6580 |
164.8 |
-0.2 |
0.683 |
0 |
1 |
0 |
0.000 |
6 |
7 |
|
[GOL]B:206 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
6580 |
112.5 |
-0.7 |
0.516 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[GOL]B:207 |
6 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
6580 |
110.7 |
0.1 |
0.580 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[GOL]A:205 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
6495 |
106.5 |
0.2 |
0.602 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
16 |
4 |
6495 |
x |
A |
-x+1,-y,z-1/2 |
4_654 |
8 |
2 |
6495 |
102.3 |
-1.4 |
0.411 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
[GOL]A:207 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
6495 |
84.9 |
-0.6 |
0.554 |
7 |
0 |
0 |
0.007 |
11 |
12 |
|
[ACT]A:206 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
6495 |
83.1 |
-1.0 |
0.579 |
0 |
0 |
0 |
0.002 |
12 |
13 |
|
[ACT]B:205 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6580 |
81.7 |
-0.9 |
0.556 |
0 |
0 |
0 |
0.002 |
13 |
14 |
|
[GOL]A:207 |
6 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
6580 |
77.3 |
-0.8 |
0.504 |
2 |
0 |
0 |
0.003 |
14 |
15 |
|
A |
10 |
6 |
6495 |
◊ |
B |
-x+1,-y,z-1/2 |
4_654 |
4 |
1 |
6580 |
63.4 |
-0.3 |
0.598 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[GOL]B:206 |
4 |
1 |
218 |
f |
A |
-y,x-y-1,z+1/3 |
2_545 |
13 |
5 |
6495 |
57.0 |
0.2 |
0.633 |
3 |
0 |
0 |
0.002 |
16 |
17 |
|
[ZN]A:209 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6495 |
44.4 |
-31.5 |
0.000 |
0 |
0 |
0 |
0.113 |
18 |
|
[ZN]B:209 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6580 |
37.6 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
41.0 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.113 |
17 |
19 |
|
[ZN]B:211 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6580 |
41.8 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.114 |
20 |
|
[ZN]A:211 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
6495 |
38.5 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.114 |
21 |
|
[ZN]A:213 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
6495 |
36.9 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
39.1 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.114 |
18 |
22 |
|
[ZN]A:208 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
6495 |
41.7 |
-29.8 |
0.000 |
0 |
0 |
0 |
0.150 |
23 |
|
[ZN]B:215 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6580 |
38.2 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.150 |
24 |
|
[ZN]B:208 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
6580 |
37.8 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
39.2 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.150 |
19 |
25 |
|
[ZN]B:212 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6580 |
39.0 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.070 |
26 |
|
[ZN]A:212 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
6495 |
35.4 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
37.2 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.070 |
20 |
27 |
|
[ZN]B:210 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6580 |
37.4 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.072 |
28 |
|
[ZN]A:210 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6495 |
37.3 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
37.3 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.072 |
21 |
29 |
|
[ZN]B:216 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
6580 |
37.1 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.031 |
22 |
30 |
|
[ZN]A:212 |
1 |
1 |
98 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
6580 |
35.6 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.062 |
31 |
|
A |
3 |
1 |
6495 |
◊ |
[ZN]B:212 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
98 |
31.9 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
33.7 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.062 |
23 |
32 |
|
[CU]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6495 |
35.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.026 |
33 |
|
[CU]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6580 |
35.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
35.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.026 |
24 |
34 |
|
[CU]B:203 |
1 |
1 |
125 |
f |
[CU]B:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.014 |
25 |
35 |
|
[CU]A:203 |
1 |
1 |
125 |
f |
[CU]A:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
34.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.014 |
26 |
36 |
|
[CU]B:202 |
1 |
1 |
125 |
f |
[CU]B:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
34.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.014 |
27 |
37 |
|
[CU]A:202 |
1 |
1 |
125 |
f |
[CU]A:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.014 |
28 |
38 |
|
[ACT]A:206 |
2 |
1 |
185 |
f |
[GOL]A:205 |
x,y,z |
1_555 |
3 |
1 |
215 |
33.5 |
0.5 |
0.692 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
[CU]B:203 |
1 |
1 |
125 |
f |
[CU]B:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.013 |
30 |
40 |
|
[CU]A:203 |
1 |
1 |
125 |
f |
[CU]A:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.013 |
31 |
41 |
|
[ZN]B:209 |
1 |
1 |
98 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
6 |
2 |
6580 |
31.2 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
6 |
2 |
6495 |
◊ |
[ZN]A:209 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
98 |
20.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
25.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[ZN]B:213 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
6580 |
28.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.022 |
33 |
44 |
|
[ACT]A:206 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6580 |
27.9 |
0.6 |
0.813 |
1 |
0 |
0 |
0.000 |
34 |
45 |
|
[CU]B:204 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6495 |
25.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.014 |
46 |
|
[CU]A:204 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6580 |
25.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
25.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.014 |
35 |
47 |
|
[CU]A:204 |
1 |
1 |
125 |
f |
[CU]A:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.010 |
36 |
48 |
|
[CU]B:204 |
1 |
1 |
125 |
f |
[CU]B:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.010 |
37 |
49 |
|
[ZN]B:215 |
1 |
1 |
98 |
f |
[ZN]B:208 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.0 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.038 |
38 |
50 |
|
A |
4 |
2 |
6495 |
◊ |
[ZN]B:214 |
x-y,x,z-5/6 |
6_554 |
1 |
1 |
98 |
23.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.019 |
39 |
51 |
|
[ZN]B:216 |
1 |
1 |
98 |
f |
[ZN]B:210 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.9 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.035 |
40 |
52 |
|
[ZN]A:213 |
1 |
1 |
98 |
f |
[ZN]A:211 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.6 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.035 |
41 |
53 |
|
A |
2 |
1 |
6495 |
◊ |
[ZN]B:213 |
x-y,x,z-5/6 |
6_554 |
1 |
1 |
98 |
21.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.018 |
42 |
54 |
|
[ZN]B:215 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
6495 |
21.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.039 |
55 |
|
[ZN]A:208 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6580 |
15.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.039 |
56 |
|
[ZN]B:208 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6495 |
9.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
15.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.039 |
43 |
57 |
|
[ZN]B:214 |
1 |
1 |
98 |
f |
[ZN]B:213 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.4 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.033 |
44 |
58 |
|
[ZN]A:213 |
1 |
1 |
98 |
f |
[ZN]A:210 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.032 |
45 |
59 |
|
[ZN]B:216 |
1 |
1 |
98 |
f |
[ZN]B:211 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.4 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.030 |
46 |
60 |
|
B |
3 |
1 |
6580 |
x |
B |
-y,x-y-1,z+1/3 |
2_545 |
2 |
2 |
6580 |
17.5 |
-0.5 |
0.279 |
0 |
0 |
0 |
0.000 |
47 |
61 |
|
[CU]A:204 |
1 |
1 |
125 |
f |
[CU]A:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.006 |
48 |
62 |
|
[GOL]A:205 |
2 |
1 |
215 |
◊ |
[GOL]B:207 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
213 |
14.0 |
0.3 |
0.565 |
0 |
0 |
0 |
0.000 |
49 |
63 |
|
[CU]B:203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6495 |
13.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.013 |
64 |
|
[CU]A:203 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6580 |
13.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
65 |
|
[CU]B:202 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6495 |
10.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
66 |
|
[CU]A:202 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6580 |
10.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
11.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.013 |
50 |
67 |
|
[CU]B:204 |
1 |
1 |
125 |
f |
[CU]B:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.005 |
51 |
68 |
|
A |
2 |
1 |
6495 |
◊ |
[ZN]B:214 |
-y,x-y,z-2/3 |
2_554 |
1 |
1 |
98 |
10.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
69 |
|
B |
2 |
2 |
6580 |
◊ |
[ZN]B:213 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
98 |
9.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
B |
1 |
1 |
6580 |
◊ |
[ZN]B:214 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
98 |
6.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
71 |
|
[ZN]A:211 |
1 |
1 |
98 |
f |
[ZN]A:210 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.010 |
54 |
72 |
|
[ZN]B:214 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
6580 |
6.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.005 |
55 |
73 |
|
[GOL]A:207 |
2 |
1 |
216 |
◊ |
[CU]B:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.001 |
56 |
74 |
|
[ZN]A:208 |
1 |
1 |
98 |
f |
[GOL]A:207 |
x,y,z |
1_555 |
2 |
1 |
216 |
5.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.004 |
57 |
75 |
|
[ZN]B:211 |
1 |
1 |
98 |
f |
[ZN]B:210 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.008 |
58 |
76 |
|
A |
1 |
1 |
6495 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
6580 |
3.9 |
0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
59 |
77 |
|
[CU]A:204 |
1 |
1 |
125 |
f |
[CU]A:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.002 |
60 |
78 |
|
[ACT]B:205 |
1 |
1 |
184 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
6580 |
3.7 |
-0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
61 |
79 |
|
[CU]B:204 |
1 |
1 |
125 |
f |
[CU]B:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.001 |
62 |
80 |
|
[ZN]B:212 |
1 |
1 |
98 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
6495 |
3.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
81 |
|
[ACT]A:206 |
1 |
1 |
185 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
6580 |
2.8 |
0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
64 |
82 |
|
B |
1 |
1 |
6580 |
◊ |
[CU]A:204 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
125 |
2.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
83 |
|
[GOL]A:207 |
2 |
1 |
216 |
f |
[CU]A:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
84 |
|
[ACT]A:206 |
1 |
1 |
185 |
◊ |
[GOL]B:207 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
213 |
2.1 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
67 |
85 |
|
[ZN]B:208 |
1 |
1 |
98 |
◊ |
[GOL]A:207 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
86 |
|
[ZN]A:208 |
1 |
1 |
98 |
f |
[ACT]A:206 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
87 |
|
[GOL]A:207 |
1 |
1 |
216 |
◊ |
[CU]B:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|