| ## |
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 |
|
F |
226 |
64 |
19108 |
◊ |
E |
x,y,z |
1_555 |
221 |
64 |
19448 |
2288.3 |
-33.3 |
0.002 |
15 |
3 |
0 |
0.207 |
2 |
|
D |
235 |
65 |
19118 |
◊ |
C |
x,y,z |
1_555 |
231 |
64 |
19180 |
2275.7 |
-30.9 |
0.004 |
17 |
2 |
0 |
0.207 |
3 |
|
B |
226 |
64 |
18923 |
◊ |
A |
x,y,z |
1_555 |
221 |
62 |
19094 |
2253.8 |
-29.0 |
0.006 |
16 |
2 |
0 |
0.207 |
4 |
|
H |
222 |
64 |
19160 |
◊ |
G |
x,y,z |
1_555 |
231 |
68 |
19121 |
2247.6 |
-29.9 |
0.006 |
16 |
3 |
0 |
0.207 |
| Average: |
2266.3 |
-30.8 |
0.005 |
16 |
3 |
0 |
0.207 |
| 2 |
5 |
|
F |
119 |
37 |
19108 |
x |
C |
x,y,z |
1_555 |
130 |
41 |
19180 |
1076.7 |
-2.7 |
0.584 |
11 |
0 |
0 |
0.000 |
6 |
|
C |
118 |
36 |
19180 |
x |
F |
x,y-1,z |
1_545 |
119 |
35 |
19108 |
1070.9 |
-0.4 |
0.693 |
11 |
2 |
0 |
0.000 |
7 |
|
H |
115 |
32 |
19160 |
x |
H |
-x+2,y-1/2,-z+1 |
2_746 |
114 |
36 |
19160 |
1049.2 |
-2.0 |
0.595 |
9 |
0 |
0 |
0.000 |
8 |
|
A |
106 |
32 |
19094 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
109 |
37 |
19094 |
969.2 |
-2.6 |
0.560 |
9 |
1 |
0 |
0.000 |
| Average: |
1041.5 |
-1.9 |
0.608 |
10 |
1 |
0 |
0.000 |
| 3 |
9 |
|
G |
55 |
17 |
19121 |
◊ |
B |
x,y,z |
1_555 |
52 |
17 |
18923 |
527.6 |
1.8 |
0.741 |
2 |
0 |
0 |
0.000 |
| 4 |
10 |
|
E |
57 |
17 |
19448 |
x |
E |
-x+1,y-1/2,-z+1 |
2_646 |
51 |
19 |
19448 |
470.9 |
-0.8 |
0.615 |
3 |
1 |
0 |
0.000 |
11 |
|
G |
39 |
12 |
19121 |
x |
B |
x,y-1,z |
1_545 |
35 |
13 |
18923 |
314.8 |
-0.1 |
0.592 |
2 |
1 |
0 |
0.000 |
| Average: |
392.9 |
-0.4 |
0.603 |
3 |
1 |
0 |
0.000 |
| 5 |
12 |
|
D |
37 |
13 |
19118 |
x |
D |
-x,y-1/2,-z+2 |
2_547 |
41 |
13 |
19118 |
332.2 |
-0.5 |
0.590 |
3 |
0 |
0 |
0.000 |
| 6 |
13 |
|
F |
39 |
11 |
19108 |
◊ |
A |
x,y,z |
1_555 |
36 |
8 |
19094 |
324.9 |
-0.3 |
0.570 |
2 |
1 |
0 |
0.000 |
14 |
|
H |
42 |
11 |
19160 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
8 |
19108 |
313.8 |
0.7 |
0.624 |
2 |
0 |
0 |
0.000 |
15 |
|
C |
31 |
8 |
19180 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
37 |
10 |
19094 |
263.2 |
-0.9 |
0.472 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
23 |
7 |
19180 |
◊ |
H |
x-1,y,z |
1_455 |
30 |
8 |
19160 |
250.9 |
-0.2 |
0.487 |
2 |
0 |
0 |
0.000 |
| Average: |
288.2 |
-0.2 |
0.538 |
2 |
0 |
0 |
0.000 |
| 7 |
17 |
|
G |
41 |
14 |
19121 |
◊ |
E |
x,y,z |
1_555 |
36 |
12 |
19448 |
317.8 |
1.9 |
0.773 |
5 |
2 |
0 |
0.000 |
18 |
|
D |
36 |
11 |
19118 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
9 |
18923 |
305.8 |
1.4 |
0.731 |
2 |
1 |
0 |
0.000 |
| Average: |
311.8 |
1.7 |
0.752 |
4 |
2 |
0 |
0.000 |
| 8 |
19 |
|
D |
25 |
7 |
19118 |
◊ |
F |
x,y-1,z |
1_545 |
29 |
10 |
19108 |
237.1 |
-0.2 |
0.579 |
3 |
3 |
0 |
0.000 |
20 |
|
G |
27 |
9 |
19121 |
◊ |
H |
-x+2,y-1/2,-z+1 |
2_746 |
20 |
6 |
19160 |
212.7 |
-0.5 |
0.533 |
0 |
0 |
0 |
0.000 |
| Average: |
224.9 |
-0.4 |
0.556 |
2 |
2 |
0 |
0.000 |
| 9 |
21 |
|
E |
24 |
8 |
19448 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
19180 |
208.8 |
-0.6 |
0.509 |
0 |
0 |
0 |
0.000 |
| 10 |
22 |
|
G |
28 |
9 |
19121 |
◊ |
E |
x,y-1,z |
1_545 |
29 |
12 |
19448 |
197.9 |
2.5 |
0.846 |
5 |
2 |
0 |
0.000 |
| 11 |
23 |
|
B |
23 |
7 |
18923 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
16 |
5 |
19094 |
178.3 |
-0.1 |
0.604 |
3 |
0 |
0 |
0.000 |
| 12 |
24 |
|
D |
18 |
6 |
19118 |
◊ |
B |
x-1,y-1,z |
1_445 |
23 |
11 |
18923 |
173.0 |
0.7 |
0.699 |
2 |
1 |
0 |
0.000 |
| 13 |
25 |
|
[BIB]D:4502 |
7 |
1 |
245 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
19118 |
153.6 |
2.8 |
0.387 |
5 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[BIB]E:5502 |
7 |
1 |
243 |
f |
E |
x,y,z |
1_555 |
21 |
10 |
19448 |
153.1 |
2.7 |
0.351 |
4 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[BIB]G:7502 |
7 |
1 |
241 |
◊ |
G |
x,y,z |
1_555 |
19 |
11 |
19121 |
151.0 |
2.8 |
0.346 |
2 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[BIB]A:2502 |
7 |
1 |
246 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
18923 |
150.4 |
2.6 |
0.310 |
4 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[BIB]E:6502 |
7 |
1 |
246 |
◊ |
F |
x,y,z |
1_555 |
19 |
9 |
19108 |
150.1 |
3.1 |
0.375 |
4 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[BIB]C:3502 |
7 |
1 |
249 |
◊ |
C |
x,y,z |
1_555 |
20 |
10 |
19180 |
147.1 |
2.7 |
0.362 |
4 |
0 |
0 |
0.000 |
31 |
|
[BIB]G:8502 |
7 |
1 |
246 |
◊ |
H |
x,y,z |
1_555 |
19 |
9 |
19160 |
145.9 |
2.5 |
0.300 |
3 |
0 |
0 |
0.000 |
| Average: |
146.5 |
2.6 |
0.331 |
4 |
0 |
0 |
0.000 |
| 19 |
32 |
|
[BIB]B:1502 |
7 |
1 |
248 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
19094 |
146.7 |
2.8 |
0.328 |
4 |
0 |
0 |
0.000 |
| 20 |
33 |
|
A |
7 |
2 |
19094 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
2 |
18923 |
62.6 |
0.2 |
0.601 |
0 |
4 |
0 |
0.000 |
34 |
|
H |
6 |
2 |
19160 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
2 |
19121 |
51.4 |
-0.3 |
0.498 |
0 |
1 |
0 |
0.000 |
35 |
|
F |
7 |
2 |
19108 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
19118 |
51.1 |
0.4 |
0.644 |
0 |
2 |
0 |
0.000 |
36 |
|
C |
6 |
2 |
19180 |
◊ |
E |
x,y-1,z |
1_545 |
6 |
2 |
19448 |
48.0 |
-0.5 |
0.425 |
0 |
2 |
0 |
0.000 |
| Average: |
53.3 |
-0.1 |
0.542 |
0 |
2 |
0 |
0.000 |
| 21 |
37 |
|
[BIB]D:4502 |
6 |
1 |
245 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
19180 |
59.7 |
1.8 |
0.285 |
1 |
0 |
0 |
0.000 |
| 22 |
38 |
|
[BIB]A:2502 |
6 |
1 |
246 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
19094 |
59.0 |
2.0 |
0.204 |
1 |
0 |
0 |
0.000 |
| 23 |
39 |
|
[BIB]E:5502 |
5 |
1 |
243 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
19108 |
57.4 |
1.8 |
0.392 |
1 |
0 |
0 |
0.000 |
| 24 |
40 |
|
[BIB]C:3502 |
6 |
1 |
249 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
19118 |
56.8 |
1.6 |
0.132 |
2 |
0 |
0 |
0.000 |
41 |
|
[BIB]G:8502 |
6 |
1 |
246 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
19121 |
55.6 |
1.8 |
0.137 |
2 |
0 |
0 |
0.000 |
| Average: |
56.2 |
1.7 |
0.134 |
2 |
0 |
0 |
0.000 |
| 25 |
42 |
|
[BIB]G:7502 |
6 |
1 |
241 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
19160 |
56.5 |
1.9 |
0.207 |
2 |
0 |
0 |
0.000 |
| 26 |
43 |
|
H |
5 |
3 |
19160 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
18923 |
51.2 |
-0.5 |
0.441 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
4 |
3 |
19118 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
19180 |
34.3 |
0.5 |
0.548 |
0 |
0 |
0 |
0.000 |
| Average: |
42.8 |
0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
| 27 |
45 |
|
[BIB]E:6502 |
6 |
1 |
246 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
19448 |
49.9 |
1.6 |
0.077 |
2 |
0 |
0 |
0.000 |
| 28 |
46 |
|
[BIB]B:1502 |
5 |
1 |
248 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
18923 |
49.0 |
1.5 |
0.150 |
2 |
0 |
0 |
0.000 |
| 29 |
47 |
|
[ZN]G:500 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
12 |
8 |
19121 |
46.0 |
-34.7 |
0.000 |
0 |
0 |
0 |
0.359 |
48 |
|
[ZN]C:500 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
19180 |
45.6 |
-34.7 |
0.000 |
0 |
0 |
0 |
0.359 |
49 |
|
[ZN]D:500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
19118 |
44.8 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.359 |
50 |
|
[ZN]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
19094 |
44.8 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.359 |
51 |
|
[ZN]H:500 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
14 |
8 |
19160 |
44.7 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.359 |
52 |
|
[ZN]F:500 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
8 |
19108 |
44.5 |
-34.2 |
0.000 |
0 |
0 |
0 |
0.359 |
53 |
|
[ZN]B:500 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
18923 |
43.9 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.359 |
54 |
|
[ZN]E:500 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
6 |
19448 |
43.3 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.359 |
| Average: |
44.7 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.359 |
| 30 |
55 |
|
[ZN]G:501 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
19121 |
45.5 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.340 |
56 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
19118 |
44.9 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.340 |
57 |
|
[ZN]F:501 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
19108 |
44.9 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.340 |
58 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
18923 |
44.6 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.340 |
59 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
19094 |
44.2 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.340 |
60 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
19180 |
44.2 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.340 |
61 |
|
[ZN]H:501 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
19160 |
44.2 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.340 |
62 |
|
[ZN]E:501 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
19448 |
44.0 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.340 |
| Average: |
44.6 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.340 |
| 31 |
63 |
|
[ZN]H:501 |
1 |
1 |
98 |
f |
[ZN]H:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.070 |
| 32 |
64 |
|
[ZN]F:501 |
1 |
1 |
98 |
f |
[ZN]F:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.9 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.069 |
| 33 |
65 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
[ZN]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.7 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.070 |
| 34 |
66 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
[ZN]D:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.7 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.068 |
| 35 |
67 |
|
[ZN]E:501 |
1 |
1 |
98 |
f |
[ZN]E:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.5 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.067 |
| 36 |
68 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
[ZN]C:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.4 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.067 |
| 37 |
69 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
[ZN]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.3 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.068 |
| 38 |
70 |
|
D |
3 |
1 |
19118 |
◊ |
A |
x-1,y-1,z |
1_445 |
3 |
1 |
19094 |
15.7 |
-0.4 |
0.382 |
0 |
0 |
0 |
0.000 |
71 |
|
G |
1 |
1 |
19121 |
◊ |
F |
x,y-1,z |
1_545 |
1 |
1 |
19108 |
1.8 |
0.1 |
0.754 |
0 |
0 |
0 |
0.000 |
| Average: |
8.8 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
| 39 |
72 |
|
[ZN]G:501 |
1 |
1 |
98 |
f |
[ZN]G:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.065 |
| 40 |
73 |
|
H |
1 |
1 |
19160 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
19448 |
0.2 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
|