## |
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 |
|
H |
153 |
43 |
13001 |
◊ |
G |
x,y,z |
1_555 |
159 |
46 |
12652 |
1673.1 |
-33.7 |
0.000 |
8 |
3 |
0 |
0.588 |
2 |
|
B |
154 |
45 |
13126 |
◊ |
A |
x,y,z |
1_555 |
165 |
47 |
12839 |
1648.1 |
-32.1 |
0.001 |
7 |
0 |
0 |
0.588 |
3 |
|
D |
169 |
47 |
13048 |
◊ |
C |
x,y,z |
1_555 |
144 |
45 |
12857 |
1626.6 |
-36.2 |
0.000 |
9 |
0 |
0 |
0.588 |
4 |
|
F |
156 |
44 |
12976 |
◊ |
E |
x,y,z |
1_555 |
152 |
44 |
12975 |
1613.4 |
-34.5 |
0.000 |
8 |
0 |
0 |
0.588 |
Average: |
1640.3 |
-34.2 |
0.000 |
8 |
1 |
0 |
0.588 |
2 |
5 |
|
F |
62 |
19 |
12976 |
◊ |
D |
x,y,z |
1_555 |
66 |
23 |
13048 |
643.5 |
-2.6 |
0.598 |
8 |
0 |
0 |
0.188 |
6 |
|
H |
56 |
20 |
13001 |
◊ |
B |
x,y,z |
1_555 |
53 |
22 |
13126 |
588.6 |
-0.7 |
0.722 |
5 |
0 |
0 |
0.188 |
Average: |
616.1 |
-1.6 |
0.660 |
7 |
0 |
0 |
0.188 |
3 |
7 |
|
A |
63 |
20 |
12839 |
◊ |
A |
y,x,-z |
7_555 |
63 |
20 |
12839 |
564.4 |
-9.3 |
0.106 |
4 |
0 |
0 |
0.234 |
8 |
|
E |
67 |
20 |
12975 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
63 |
19 |
12857 |
561.3 |
-8.6 |
0.131 |
3 |
0 |
0 |
0.234 |
9 |
|
G |
66 |
19 |
12652 |
◊ |
G |
-y,-x,-z+1/2 |
8_555 |
68 |
19 |
12652 |
548.6 |
-9.5 |
0.092 |
4 |
0 |
0 |
0.234 |
Average: |
558.1 |
-9.1 |
0.110 |
4 |
0 |
0 |
0.234 |
4 |
10 |
|
F |
56 |
14 |
12976 |
◊ |
D |
-y+1/2,x-1/2,z+1/4 |
3_545 |
58 |
15 |
13048 |
521.2 |
-2.5 |
0.569 |
9 |
0 |
0 |
0.039 |
11 |
|
B |
56 |
14 |
13126 |
◊ |
B |
y,x,-z |
7_555 |
56 |
14 |
13126 |
512.7 |
-4.7 |
0.369 |
5 |
0 |
0 |
0.039 |
12 |
|
H |
50 |
12 |
13001 |
◊ |
H |
-y,-x,-z+1/2 |
8_555 |
51 |
12 |
13001 |
489.5 |
-1.4 |
0.632 |
7 |
0 |
0 |
0.039 |
Average: |
507.8 |
-2.9 |
0.523 |
7 |
0 |
0 |
0.039 |
5 |
13 |
|
H |
43 |
14 |
13001 |
◊ |
C |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
48 |
18 |
12857 |
463.6 |
-7.0 |
0.147 |
0 |
0 |
0 |
0.079 |
14 |
|
F |
48 |
14 |
12976 |
◊ |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
48 |
17 |
12839 |
457.0 |
-4.8 |
0.341 |
1 |
0 |
0 |
0.079 |
Average: |
460.3 |
-5.9 |
0.244 |
1 |
0 |
0 |
0.079 |
6 |
15 |
|
B |
38 |
11 |
13126 |
◊ |
E |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
38 |
14 |
12975 |
360.8 |
-6.5 |
0.123 |
0 |
0 |
0 |
0.072 |
16 |
|
D |
35 |
11 |
13048 |
◊ |
G |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
43 |
14 |
12652 |
351.4 |
-5.7 |
0.161 |
1 |
0 |
0 |
0.072 |
Average: |
356.1 |
-6.1 |
0.142 |
1 |
0 |
0 |
0.072 |
7 |
17 |
|
E |
35 |
13 |
12975 |
◊ |
D |
-y+1/2,x-1/2,z+1/4 |
3_545 |
42 |
14 |
13048 |
350.7 |
-1.1 |
0.333 |
2 |
0 |
0 |
0.040 |
18 |
|
F |
43 |
14 |
12976 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
33 |
11 |
12857 |
329.5 |
-4.3 |
0.174 |
1 |
0 |
0 |
0.040 |
19 |
|
H |
37 |
13 |
13001 |
◊ |
G |
-y,-x,-z+1/2 |
8_555 |
31 |
13 |
12652 |
317.0 |
-3.2 |
0.266 |
1 |
0 |
0 |
0.040 |
20 |
|
B |
32 |
10 |
13126 |
◊ |
A |
y,x,-z |
7_555 |
30 |
11 |
12839 |
279.8 |
-2.9 |
0.249 |
1 |
0 |
0 |
0.040 |
Average: |
319.3 |
-2.9 |
0.255 |
1 |
0 |
0 |
0.040 |
8 |
21 |
|
G |
34 |
12 |
12652 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
12839 |
329.1 |
-2.4 |
0.468 |
4 |
5 |
0 |
0.092 |
22 |
|
E |
28 |
10 |
12975 |
◊ |
C |
x,y,z |
1_555 |
26 |
11 |
12857 |
219.0 |
-2.3 |
0.418 |
1 |
3 |
0 |
0.092 |
Average: |
274.1 |
-2.3 |
0.443 |
3 |
4 |
0 |
0.092 |
9 |
23 |
|
[NI]G:701 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
12839 |
59.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.278 |
24 |
|
[NI]C:702 |
1 |
1 |
115 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
12975 |
51.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.278 |
25 |
|
[NI]C:702 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12857 |
48.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.278 |
Average: |
53.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.278 |
10 |
26 |
|
[NI]H:702 |
1 |
1 |
115 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
13001 |
54.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.468 |
27 |
|
[NI]D:701 |
1 |
1 |
115 |
cf |
D |
x,y,z |
1_555 |
7 |
4 |
13048 |
54.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.468 |
28 |
|
[NI]F:702 |
1 |
1 |
115 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
12976 |
52.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.468 |
29 |
|
[NI]B:702 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
13126 |
48.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.468 |
Average: |
52.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.468 |
11 |
30 |
|
[NI]B:703 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
13126 |
54.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.101 |
12 |
31 |
|
[NI]A:703 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
12839 |
51.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.253 |
32 |
|
[NI]G:703 |
1 |
1 |
115 |
f |
G |
x,y,z |
1_555 |
6 |
4 |
12652 |
47.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.253 |
33 |
|
[NI]E:702 |
1 |
1 |
115 |
f |
E |
x,y,z |
1_555 |
4 |
3 |
12975 |
44.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.253 |
Average: |
47.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.253 |
13 |
34 |
|
[NI]A:701 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
7 |
1 |
12839 |
49.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.293 |
35 |
|
[NI]C:703 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
7 |
1 |
12857 |
46.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.293 |
36 |
|
[NI]E:701 |
1 |
1 |
115 |
f |
E |
x,y,z |
1_555 |
5 |
1 |
12975 |
44.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.293 |
37 |
|
[NI]H:701 |
1 |
1 |
115 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
12652 |
43.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.293 |
Average: |
46.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.293 |
14 |
38 |
|
[NI]H:701 |
1 |
1 |
115 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
13001 |
49.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.080 |
39 |
|
[NI]E:701 |
1 |
1 |
115 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
12976 |
44.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.080 |
40 |
|
[NI]C:703 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
13048 |
41.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.080 |
41 |
|
[NI]A:701 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13126 |
33.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
42.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.080 |
15 |
42 |
|
[NI]F:701 |
1 |
1 |
115 |
◊ |
F |
x,y,z |
1_555 |
11 |
3 |
12976 |
47.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.344 |
43 |
|
[NI]F:701 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
13048 |
46.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.344 |
44 |
|
[NI]B:701 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13126 |
45.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.344 |
45 |
|
[NI]B:701 |
1 |
1 |
115 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
13001 |
44.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.344 |
Average: |
46.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.344 |
16 |
46 |
|
[NI]G:701 |
1 |
1 |
115 |
f |
G |
x,y,z |
1_555 |
6 |
3 |
12652 |
44.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.183 |
17 |
47 |
|
[NI]C:701 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
12857 |
42.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.231 |
48 |
|
[NI]A:702 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
12839 |
41.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.231 |
49 |
|
[NI]G:702 |
1 |
1 |
115 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
12652 |
41.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.231 |
50 |
|
[NI]E:703 |
1 |
1 |
115 |
f |
E |
x,y,z |
1_555 |
5 |
1 |
12975 |
38.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.231 |
Average: |
40.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.231 |
18 |
51 |
|
[NI]E:703 |
1 |
1 |
115 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
12976 |
41.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.064 |
52 |
|
[NI]G:702 |
1 |
1 |
115 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
13001 |
39.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.064 |
53 |
|
[NI]C:701 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
13048 |
39.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.064 |
54 |
|
[NI]A:702 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13126 |
37.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
39.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.064 |
19 |
55 |
|
[NI]A:702 |
1 |
1 |
115 |
◊ |
A |
y,x,-z |
7_555 |
5 |
2 |
12839 |
25.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.129 |
56 |
|
E |
5 |
2 |
12975 |
◊ |
[NI]C:701 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
115 |
24.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.129 |
57 |
|
[NI]E:703 |
1 |
1 |
115 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
5 |
2 |
12857 |
22.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.129 |
58 |
|
[NI]G:702 |
1 |
1 |
115 |
◊ |
G |
-y,-x,-z+1/2 |
8_555 |
4 |
2 |
12652 |
19.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
23.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.129 |
20 |
59 |
|
[NI]B:701 |
1 |
1 |
115 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
12652 |
11.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.037 |
60 |
|
[NI]B:701 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12839 |
7.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.037 |
61 |
|
[NI]F:701 |
1 |
1 |
115 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12975 |
3.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.037 |
62 |
|
[NI]F:701 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12857 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
6.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.037 |
21 |
63 |
|
F |
2 |
1 |
12976 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12857 |
9.2 |
0.0 |
0.442 |
0 |
0 |
0 |
0.002 |
64 |
|
B |
2 |
1 |
13126 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
12652 |
7.9 |
-0.1 |
0.425 |
0 |
0 |
0 |
0.002 |
65 |
|
H |
1 |
1 |
13001 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12839 |
7.6 |
-0.2 |
0.287 |
0 |
0 |
0 |
0.002 |
Average: |
8.3 |
-0.1 |
0.384 |
0 |
0 |
0 |
0.002 |
|