## |
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 |
|
K |
55 |
5 |
1552 |
◊ |
D |
x,y,z |
1_555 |
71 |
21 |
7680 |
510.5 |
-7.3 |
0.386 |
14 |
0 |
0 |
0.185 |
2 |
|
G |
54 |
5 |
1550 |
◊ |
B |
x,y,z |
1_555 |
67 |
21 |
7774 |
499.5 |
-8.0 |
0.433 |
12 |
0 |
0 |
0.185 |
Average: |
505.0 |
-7.7 |
0.410 |
13 |
0 |
0 |
0.185 |
2 |
3 |
|
I |
51 |
5 |
1796 |
◊ |
C |
x,y,z |
1_555 |
66 |
21 |
7166 |
489.9 |
-8.2 |
0.315 |
15 |
0 |
0 |
0.196 |
4 |
|
E |
49 |
5 |
1817 |
◊ |
A |
x,y,z |
1_555 |
61 |
19 |
7144 |
489.0 |
-5.6 |
0.404 |
10 |
0 |
0 |
0.196 |
Average: |
489.5 |
-6.9 |
0.359 |
13 |
0 |
0 |
0.196 |
3 |
5 |
|
H |
47 |
3 |
2050 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
56 |
18 |
7166 |
464.2 |
-2.1 |
0.498 |
7 |
0 |
0 |
0.000 |
6 |
|
F |
44 |
3 |
2043 |
◊ |
B |
x,y,z |
1_555 |
56 |
15 |
7774 |
440.0 |
-0.5 |
0.447 |
3 |
0 |
0 |
0.000 |
7 |
|
J |
45 |
3 |
2040 |
◊ |
D |
x,y,z |
1_555 |
53 |
15 |
7680 |
433.3 |
-3.7 |
0.402 |
8 |
0 |
0 |
0.000 |
Average: |
445.9 |
-2.1 |
0.449 |
6 |
0 |
0 |
0.000 |
4 |
8 |
|
L |
33 |
3 |
2010 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
45 |
13 |
7144 |
320.1 |
-3.0 |
0.410 |
3 |
0 |
0 |
0.000 |
5 |
9 |
|
A |
39 |
11 |
7144 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
39 |
11 |
7144 |
305.1 |
2.4 |
0.811 |
2 |
2 |
0 |
0.000 |
10 |
|
C |
30 |
9 |
7166 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
30 |
9 |
7166 |
250.8 |
3.4 |
0.850 |
2 |
2 |
0 |
0.000 |
11 |
|
D |
27 |
10 |
7680 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
7774 |
162.4 |
1.1 |
0.638 |
1 |
1 |
0 |
0.000 |
Average: |
239.5 |
2.3 |
0.766 |
2 |
2 |
0 |
0.000 |
6 |
12 |
|
G |
32 |
6 |
1550 |
◊ |
H |
x,y,z |
1_555 |
32 |
7 |
2050 |
293.8 |
-3.9 |
0.523 |
14 |
0 |
0 |
0.240 |
13 |
|
K |
31 |
6 |
1552 |
◊ |
L |
x,y,z |
1_555 |
31 |
7 |
2010 |
290.3 |
-2.8 |
0.589 |
14 |
0 |
0 |
0.240 |
Average: |
292.0 |
-3.4 |
0.556 |
14 |
0 |
0 |
0.240 |
7 |
14 |
|
F |
32 |
7 |
2043 |
◊ |
E |
x,y,z |
1_555 |
30 |
6 |
1817 |
287.5 |
-3.4 |
0.429 |
14 |
0 |
0 |
0.231 |
15 |
|
J |
32 |
7 |
2040 |
◊ |
I |
x,y,z |
1_555 |
30 |
6 |
1796 |
284.7 |
-3.9 |
0.483 |
14 |
0 |
0 |
0.231 |
Average: |
286.1 |
-3.7 |
0.456 |
14 |
0 |
0 |
0.231 |
8 |
16 |
|
L |
30 |
7 |
2010 |
◊ |
D |
x,y,z |
1_555 |
27 |
8 |
7680 |
267.0 |
-2.0 |
0.472 |
3 |
0 |
0 |
0.038 |
17 |
|
H |
30 |
7 |
2050 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
7774 |
251.6 |
-1.3 |
0.537 |
3 |
0 |
0 |
0.038 |
18 |
|
J |
26 |
5 |
2040 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
7166 |
205.4 |
-0.3 |
0.490 |
2 |
0 |
0 |
0.038 |
19 |
|
F |
27 |
6 |
2043 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
7144 |
202.3 |
-0.4 |
0.505 |
2 |
0 |
0 |
0.038 |
Average: |
231.6 |
-1.0 |
0.501 |
3 |
0 |
0 |
0.038 |
9 |
20 |
|
D |
26 |
6 |
7680 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
22 |
5 |
7774 |
217.3 |
1.9 |
0.734 |
3 |
5 |
0 |
0.000 |
10 |
21 |
|
B |
17 |
6 |
7774 |
◊ |
C |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
28 |
10 |
7166 |
215.1 |
3.4 |
0.864 |
2 |
3 |
0 |
0.000 |
11 |
22 |
|
B |
22 |
8 |
7774 |
◊ |
B |
x,-y+2,-z |
4_575 |
22 |
8 |
7774 |
213.9 |
0.9 |
0.660 |
2 |
0 |
0 |
0.000 |
12 |
23 |
|
D |
27 |
8 |
7680 |
◊ |
D |
x,-y+2,-z+1 |
4_576 |
27 |
8 |
7680 |
207.3 |
2.4 |
0.742 |
2 |
4 |
0 |
0.000 |
13 |
24 |
|
L |
22 |
2 |
2010 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
7774 |
186.3 |
-1.4 |
0.342 |
1 |
0 |
0 |
0.000 |
25 |
|
H |
25 |
2 |
2050 |
◊ |
D |
x,y,z |
1_555 |
27 |
6 |
7680 |
185.4 |
0.8 |
0.380 |
0 |
0 |
0 |
0.000 |
26 |
|
F |
22 |
2 |
2043 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
21 |
5 |
7144 |
182.7 |
1.9 |
0.606 |
2 |
0 |
0 |
0.000 |
27 |
|
J |
22 |
2 |
2040 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
23 |
6 |
7166 |
182.3 |
2.1 |
0.623 |
1 |
0 |
0 |
0.000 |
Average: |
184.2 |
0.8 |
0.488 |
1 |
0 |
0 |
0.000 |
14 |
28 |
|
C |
21 |
7 |
7166 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
8_466 |
20 |
9 |
7680 |
176.5 |
-1.6 |
0.308 |
1 |
0 |
0 |
0.000 |
15 |
29 |
|
C |
17 |
5 |
7166 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
16 |
7 |
7680 |
141.0 |
-1.3 |
0.342 |
0 |
1 |
0 |
0.000 |
30 |
|
A |
11 |
3 |
7144 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
15 |
6 |
7774 |
110.5 |
-0.4 |
0.388 |
1 |
0 |
0 |
0.000 |
Average: |
125.8 |
-0.8 |
0.365 |
1 |
1 |
0 |
0.000 |
16 |
31 |
|
I |
22 |
3 |
1796 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
7680 |
136.3 |
0.6 |
0.463 |
1 |
0 |
0 |
0.000 |
17 |
32 |
|
G |
20 |
2 |
1550 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
12 |
4 |
7166 |
122.1 |
0.7 |
0.477 |
0 |
0 |
0 |
0.000 |
33 |
|
K |
3 |
1 |
1552 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
7144 |
32.4 |
0.5 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
77.3 |
0.6 |
0.552 |
0 |
0 |
0 |
0.000 |
18 |
34 |
|
E |
19 |
2 |
1817 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
7774 |
119.6 |
0.3 |
0.405 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
C |
14 |
5 |
7166 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
15 |
5 |
7144 |
116.4 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
20 |
36 |
|
D |
15 |
6 |
7680 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
12 |
5 |
7144 |
113.2 |
0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
12 |
6 |
7166 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
17 |
4 |
7774 |
90.4 |
0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
Average: |
101.8 |
0.3 |
0.525 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
L |
9 |
4 |
2010 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
2043 |
86.3 |
-1.4 |
0.430 |
3 |
0 |
0 |
0.021 |
22 |
39 |
|
J |
8 |
4 |
2040 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
2050 |
80.6 |
-1.9 |
0.392 |
5 |
0 |
0 |
0.034 |
23 |
40 |
|
E |
9 |
1 |
1817 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
7680 |
78.9 |
0.4 |
0.574 |
0 |
0 |
0 |
0.007 |
41 |
|
I |
6 |
1 |
1796 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
7774 |
64.3 |
-0.6 |
0.501 |
2 |
0 |
0 |
0.007 |
Average: |
71.6 |
-0.1 |
0.538 |
1 |
0 |
0 |
0.007 |
24 |
42 |
|
L |
8 |
2 |
2010 |
◊ |
E |
x,y,z |
1_555 |
11 |
1 |
1817 |
74.6 |
-2.1 |
0.367 |
0 |
0 |
0 |
0.041 |
43 |
|
H |
6 |
2 |
2050 |
◊ |
I |
x,y,z |
1_555 |
11 |
1 |
1796 |
70.3 |
-1.4 |
0.421 |
0 |
0 |
0 |
0.041 |
Average: |
72.5 |
-1.8 |
0.394 |
0 |
0 |
0 |
0.041 |
25 |
44 |
|
G |
11 |
1 |
1550 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
2040 |
72.3 |
-1.0 |
0.501 |
0 |
0 |
0 |
0.033 |
45 |
|
K |
12 |
1 |
1552 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
2043 |
66.4 |
-1.6 |
0.380 |
0 |
0 |
0 |
0.033 |
Average: |
69.3 |
-1.3 |
0.441 |
0 |
0 |
0 |
0.033 |
26 |
46 |
|
A |
8 |
4 |
7144 |
◊ |
C |
-x,-y+2,z-1/2 |
2_574 |
14 |
7 |
7166 |
71.8 |
0.3 |
0.495 |
1 |
0 |
0 |
0.000 |
27 |
47 |
|
E |
6 |
1 |
1817 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
1817 |
64.1 |
-1.5 |
0.369 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
K |
6 |
1 |
1552 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
1550 |
60.5 |
-1.9 |
0.402 |
0 |
0 |
0 |
0.000 |
29 |
49 |
|
I |
6 |
1 |
1796 |
◊ |
I |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
1796 |
59.5 |
-1.7 |
0.376 |
0 |
0 |
0 |
0.000 |
30 |
50 |
|
C |
3 |
2 |
7166 |
◊ |
D |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
2 |
7680 |
51.3 |
0.6 |
0.738 |
1 |
1 |
0 |
0.000 |
51 |
|
B |
5 |
2 |
7774 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
7144 |
40.5 |
-0.2 |
0.480 |
0 |
0 |
0 |
0.000 |
Average: |
45.9 |
0.2 |
0.609 |
1 |
1 |
0 |
0.000 |
31 |
52 |
|
G |
8 |
1 |
1550 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
7680 |
46.7 |
0.4 |
0.622 |
0 |
0 |
0 |
0.000 |
53 |
|
K |
7 |
1 |
1552 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7774 |
37.3 |
0.6 |
0.663 |
0 |
0 |
0 |
0.000 |
Average: |
42.0 |
0.5 |
0.642 |
0 |
0 |
0 |
0.000 |
32 |
54 |
|
I |
9 |
2 |
1796 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
6 |
2 |
7166 |
42.9 |
0.5 |
0.639 |
1 |
0 |
0 |
0.000 |
55 |
|
E |
8 |
1 |
1817 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
6 |
2 |
7144 |
41.4 |
0.6 |
0.655 |
1 |
0 |
0 |
0.000 |
Average: |
42.2 |
0.5 |
0.647 |
1 |
0 |
0 |
0.000 |
33 |
56 |
|
C |
2 |
1 |
7166 |
◊ |
E |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
1817 |
41.0 |
1.5 |
0.857 |
0 |
0 |
0 |
0.000 |
57 |
|
I |
2 |
1 |
1796 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
7144 |
30.0 |
0.7 |
0.709 |
0 |
0 |
0 |
0.000 |
Average: |
35.5 |
1.1 |
0.783 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
[ZN]B:1135 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
7774 |
40.0 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.385 |
59 |
|
[ZN]A:1132 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
7144 |
39.2 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.385 |
60 |
|
[ZN]C:1132 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
7166 |
39.2 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.385 |
61 |
|
[ZN]D:1135 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
7680 |
39.1 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.385 |
Average: |
39.4 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.385 |
35 |
62 |
|
[ZN]I:1009 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
6 |
2 |
1796 |
39.3 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.451 |
63 |
|
[ZN]E:1009 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
1 |
1817 |
38.2 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.451 |
Average: |
38.7 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.451 |
36 |
64 |
|
[ZN]K:1009 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
6 |
2 |
1552 |
39.1 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.451 |
65 |
|
[ZN]G:1009 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
4 |
2 |
1550 |
36.4 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.451 |
Average: |
37.8 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.451 |
37 |
66 |
|
[ZN]E:1009 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
2010 |
33.3 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.329 |
67 |
|
[ZN]G:1009 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
2040 |
32.5 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.329 |
68 |
|
[ZN]I:1009 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
2050 |
32.0 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.329 |
69 |
|
[ZN]K:1009 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
2043 |
30.2 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.329 |
Average: |
32.0 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.329 |
38 |
70 |
|
[ZN]A:1132 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
1817 |
31.6 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.322 |
71 |
|
[ZN]C:1132 |
1 |
1 |
98 |
cf |
I |
x,y,z |
1_555 |
6 |
2 |
1796 |
30.7 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.322 |
Average: |
31.2 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.322 |
39 |
72 |
|
[ZN]D:1135 |
1 |
1 |
98 |
cf |
K |
x,y,z |
1_555 |
6 |
2 |
1552 |
31.2 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.320 |
73 |
|
[ZN]B:1135 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
1550 |
29.1 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.320 |
Average: |
30.1 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.320 |
40 |
74 |
|
F |
1 |
1 |
2043 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
1817 |
29.8 |
0.8 |
0.682 |
1 |
0 |
0 |
0.000 |
75 |
|
J |
1 |
1 |
2040 |
◊ |
I |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
1796 |
24.6 |
0.6 |
0.659 |
1 |
0 |
0 |
0.000 |
Average: |
27.2 |
0.7 |
0.670 |
1 |
0 |
0 |
0.000 |
41 |
76 |
|
K |
5 |
1 |
1552 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
2050 |
29.4 |
0.7 |
0.635 |
0 |
0 |
0 |
0.000 |
42 |
77 |
|
G |
4 |
1 |
1550 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
2010 |
27.8 |
0.7 |
0.662 |
0 |
0 |
0 |
0.000 |
43 |
78 |
|
B |
3 |
1 |
7774 |
◊ |
A |
x,-y+2,-z |
4_575 |
2 |
1 |
7144 |
26.9 |
0.7 |
0.829 |
2 |
0 |
0 |
0.000 |
44 |
79 |
|
D |
5 |
1 |
7680 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
4 |
2 |
7144 |
24.5 |
0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
80 |
|
C |
3 |
1 |
7166 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
7774 |
22.1 |
0.6 |
0.530 |
0 |
0 |
0 |
0.000 |
Average: |
23.3 |
0.3 |
0.537 |
0 |
0 |
0 |
0.000 |
45 |
81 |
|
A |
3 |
1 |
7144 |
◊ |
D |
-x,-y+2,z-1/2 |
2_574 |
2 |
1 |
7680 |
17.1 |
-0.3 |
0.471 |
0 |
0 |
0 |
0.000 |
46 |
82 |
|
[ZN]E:1009 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
2043 |
5.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.046 |
83 |
|
[ZN]G:1009 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
2050 |
3.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.046 |
84 |
|
[ZN]K:1009 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
2010 |
2.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.046 |
85 |
|
[ZN]I:1009 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
2040 |
0.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
3.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.046 |
|